Total System Performance Assessment Code - International ...

_SANDIA REPORTSAND85 ....00'0,4 • UC ....814Unlimited Release

Printed July 1992

Yucca Mountain Site Characterization Project

Total System PerformanceAssessment Code

TOSPAC

Volume 2: User's Guide

John H. Gauthier, Michael L. Wilson, Ralph R. Peters,Alan L. Dudley, Lee H. Skinner

Prepared bySandia National LaboratoriesAlbuquerque, New Mexico 87185 and Livermore, California 9.455.0for the United States Department of Energyunder Contract DE-AC04.76DPO0789

"'Prepared t)\' Yucca [Vl{}untain Site {'harm'terizati,m l}r_}iert {YMN('P} Dar-ti{.'ipants ns pi_trt (_f' the Civilian Hadi,_arlive \Vasle Ntamigernent t'rt_graln(('RVfM). The YNiSCI.' is. rnanaI1ed !,y the Yu(',.'a Mt_ttritain Prt,jert Off'ire (,fthe I.!.S. l)epartment {,f l';nert2y, I)(}E Field {)ffire, Nevada (I)()E/NV}.h'MS('P w,_rk is si..Jr..;{,red b._ the ()lfire _d' (;e{_J,Jgh: ltel){,six.ries (()(;ii) {_fthe I){}E ()fl"i('e ,.}f'('Mlian l-_a,:tit,tl{'tive \Vas.te hlat]ai1emen]. *{:}('Ii\VM}."

Issued by Sandia Nali(}mil l.ah(}rat{,ries, (_l}erate{t f{,r the ilnile(I St.aresI)eparlmer_t (}fEnergy by Sandia (_'{}rp(}ratii}n.NOTICE: This rel}{}r'{was IJrepared as ali _t{'('{.}l.lll_. ()t' w¢}rk Sl.}tms(,re(t I)v anagtql('y {}I'lh{.• I.Tnited States (;{}vernnwnl. Neilber lhc [}nite{t ,_titt{'s (;i)\"('rtl-

l'll{'l|t II{}ran\' agen{:'v there{rf, II()F lt113'(.}l'their empl{,.vees, n(}r any {}l'theirc{}nlra{:.t()r.%st.l}}{'(_n| i'a('_.t}r.,.:,, {}r their empl{}yees, makes any warranty, ext)ress()r implied, {)r a,,::sumes any legal liability or resp()nsibility t()r the acrura{'y.con',.l)le',_enes.,.;, ()r usefulness ()f any inf(}rmati()n, apparatus, l}r{){ltwt, {,rl}r_,cess dis__'l{)se{t, {:r represen!.s that it.s use v,'()uld n{,t infringe privatelyowned rights, ttet'eren{.'e ne_ ei.n t_}any specific {'{,mmercial product, l}r,,{'ess, orservice by Ira(le name, tra{temark, manufacturer, _,r ,_therwise, {h}es n(_tnecessarii\' r{}nst itute {)r imply iLs en(hJrsernent, rec(}mmendat i{,n. (}r l'av()rillg

}}y the [inile(.] SI.ates (;t}vernment, any agency t.heretfl' {}r any (}f' theirt'(llll.r_i('l{trs (}r Stl}}(.'{}nlra{'tt}rs;. The views itlld {}pini,.ms expressed herein d{}nt}t neces._.arily ._,late (}r ref':ecl th{}se tfr the [lnited ,_tates (;(,vernment, anyagen{'y there{}f {}rany {_ftheir {'(}ntrtt.{,t(}rs.

l'rinted in the l.lr_ite(t States t}l' Amerira. T'hi_ rcl3(,rl has t}cen repr{}duce{tdiret'lly fr{mi the t}est available {.'{}t}.v.

Avaitat}le t,_ IR)E and DOE {:{}ntract{_rs fr(}m()f'fi{re {}f'S('ientif'i(' and Technical Inf{}rmatit}nPO B{}x62Oak t'_id_e, TN 37831

Prices availal}le fr{mi ({_15) 57{;-840I, F'I'S 8'26-84()1

Availal}le t{}the l}ublic/'r{}n_Nati(mal Technical Inf'{}rmali<m Service[.3S l)epartment of Commerce5285 Port [{<},,,/iiIi{1Sl}ri_]gfield, \_A 221{:';1

NTIS price {'(_desPrinted c(}t).v:A 15Microfi('he c(}py: A{}I

_ND--85-0004S AN l) 85.-000,1

[Ii,.liIl_it.,:,_.tF[elcase I_"92 01932.4

Printed ,l'_lly 1!192

Total System Performance Assessment Code

TOSPACVolume 2: User's Guide

,John H. Ganthier*Micha(,1 L. %VilsonI

1Ralpl.t[/. Peters 'tAlan L. Dmlley"Lee H. Skinner*

_ ,} ,_ ,i t ,,St !_( 1RA I{cscarct_ tilst_it,_lt,e

Albuquer_tlle, New Mexico

?SaI_dia. Natiorla] l,at, ora.tories

:NIbuq ucrqlle, N,,:'w.Mexico

Abstract

'F()SPAC is a cOnal)uter l)rogranl designed to silnul_.tte tlle flow of wa_cr an(l l ll_' l.ral;st_ortof sotll})]c, contaJl_illa.l]ts tl:lroug}l fractured, t)a.rtialls, sa.tllral,c,d ro('k forlllat.iolls. 'l'l,e

cal_al)ili_.i_'s, lill_il.atiot:ls, and use of r["()St)A(', al'e described. ,Severa.l ('xalllple 1)rol,lcIllsan_t a ge_leral tel'crevice, sect, loll are il:tcluded t_)aid the user il_ t)erforn_iilg (,alculaliol_s.

CONTENTS

1 ] NT[_.()I)UCTI()N L

1.! ( )_,'c,rv i_,w . ........................................... 1

1.2 ['s_.r's (',Llid(, C)rt:;;_Jii:,ati(_t_ ......................................

l.:1 l_tackgrollll,] ........................................... :_1..I 'l,,'cl,z,ical ()x_.rvi_,',_.......................................... .I

i.5 (,ai_abilitit_s ............................................ 5

1.t; l.,i,l_ilaIit:,xJs ;l,J_l As.'.;,l_lll_t.i_)lls ................................. 7

1.7 Al)l)li('aIiolJs ........................................... x

2 PRIMEII, 1l

:2.! Sl<'p ()I_': l)_'lilw t tl,' l_rt*l)l,'lll .................................. 1 i

2.2 St_'l, 'l'v','t_: I{t, ll 'I()SJ:'A(' . .................................. IU

2.:I SI._'I, 'lt_r_._': I'_,Jll INI)A'IA .................................... l:l

:2.,1 St_'l, l"ol.,z': l'21Jt_,z'[ly_lr,,:,logy l)at.t ................................ 1.5

2.5 St,,i) Five: i:;l_t_'r l'ra]_sl_()rt l)ata ................................ '2"!

:2.(:; St._'l_,5-_ix: i'_L,_ S'I'EAI)5 ..................................... :_2

2.7 St_,,;_ N_w<.tl: I_ut_'l'!'_ANS_ .................................... :_:I2.S St_'t, Eight: l_s_ ()L;'I.'i'i.,()'I . ................................ :;'r

2.!) SI,'I, Ni_s_._:l"ilzish ........................................ :,t;

3 EXAMPLE FII.()BLEMS 57

4 GENERAL Ifl,EFEIIENCE :15

.1.! 'I'()SI'A(:SIII';I,[ .......................................... :l(.;

.1.2 [z_l,u_ [)ata. a_¢l t.h_, l,_l_tl._l)riv,'r Mo_tul_, (INI).A.'I'A) ..................... :_,s4.2.i INI)A'I'.A Nlodul¢, St l'_ct_r_-' ............................... :_s

,1.2.2 [NI)A'I'.,_. J'2x:cuti(_,_ (Inp_.,t,-.l)at.a 1"i1¢_('r_,ati¢,l_) .................... :;,_

4.2.5 IN[)A'IA l!;xt,c_ti,.)_ (lX_l_t-I)atr_ ["ii,' M,,,liIit'_ti(.,I_) ................. .i.l.1 ;2.,t [)ata l_l¢:,cks ........................................ .1(;,

,1:2.5 _lit,l_:' t_lc,ck (_[ydrology a_,¢t'l'ral_sl,,_rt.) ........................ .IS

.1 2.6 ('(mstal_ts [:;lock (lly_lrol_,gy) .............................. .19

,1 2.7 (_,_¢._jogi(:...ll,_it Block (llydrology) .......................... 51

,1 2.S Mat_z'iat-t.'ropcrty F_Ilock (llydr_.,t_._,gy) ......................... .,1

.l 2.!t M_:,sh l_;Io('k (llydrolog, y) ................................. 5_

4 2.1(} I'louiidary-(',..mdit, i,..)n Block (tly,.lrol_,gy) ....................... I;l)

:1 2.11 I"il_" Block (IJydrology and 'l'rallSl_Ort) ......................... 7i

.112.12 Initial--( !ondition Block (tlydrr..,l_)gy) .......................... St)

4 2.1:/ So_r(,t, _:liock ('l'ransl)ort) ............................... Sl

i',' ( '( )X II'/..'Nl'S

-l,:d.l,l ,';r(.dc,,u;i('-[;,il. I:_l(:,(:k('l'r,:lrlsl,ort) ........................... IS;")'1.2,15 Saluratl,_l-7.,olje Block ('lr'aZlSl)(_rI,) ........................... 1_._-_.2.1(; ( '()HiaJlli nalll- t_r()l_.rl3' l'_l(.::k ('l'r';_lJ,_l..,rl) ....................... 1_t.1.2.1? I_(Jull_lar,,'-('(,lldit.iol, Bh:,,.'k('l'r;:tllSl)t,r'l_) ....................... t_!,1,1.'2.I _ lnil ial-( '(,l(tiii(_l_ 131ork('lrall,'.,l_orl) ........................... 2(12

.t.3 Sl,:ldT-Slal_.-I;'l(,w Ii,,'_t,r_l(,,_yM(,duh. (,q'l'l'2Al)3') ....................... 2(i(;,1.3.1 S'I'_'5_1)_' _l_,tnl,' _.r!_,::t_Jr,, ............................... _()t;,1.3.2. S'I'EAI)"_' I!_x('cul,i.._l_................................... '2_1_

,t.,1 'l'ra_si{,_.-l'low I1','<1_';.1_;,,'kl(,dul_, (I)YNAMI(',,<,_) ....................... 211,1.,1.1 I)YNA.MI(:,_ Nl(,duh_S_,r,,:lur_. . ............................ :211,t.,1.2 I)Y?',_AMI(',S I_x(,<:'_li_:,_ ................................ ;._1;l

,1.5 ('(,i_t_t_il_J_I-'l'r_l_._l.,rl, Modul_' ('I'RANN) .......................... :di?_t.5.1 TI_ANN ,Xl(,dul_,S_,r_r!ur_,. ............................... _17,1.5.2 'I'I;_ANS Ex_:c_ll,iol_ ................................... 21!_

,l.l; ('_,_l,_t_,r.-(;l';_l,l_irs Mc.l.l<, (()tI'II'I,(YI') .......................... 72_2,1,(i.1 ()_l'l'l;'l,()'!' ,M_,duh_ ,_;lrl_cl_r,, . ............................. 223,.1.(:;._ Otl'l'l'l,()l ' li_x(,ru_.i_m('l',.:,t, l,('v(,l) ........................... 2_I._4.6.3 l)eti_i(, ,_'['I,_AI)'Yl'lols .................................. _;10,:1.6.,1 l)etil,, I)YNAMI('S I)lot.s ................................ _ll4.6.5 I)_,fiue 'I'HA N,_ I'lol._ ................................... 217'l,(),(i ('OllSll'tlCl (:;r;tl>l_ic_-l)riv_',r l"il_: ............................. ',!(;()

4.7 'I"OSI:'A(I I,'il,.s ......................................... 2Ii3

,t.7.1 S'I'I'.:AI)Y, 1)YNANII(',g, ;_I,(1'I'I'_.:\NS l,I),l.-l)al.:_ l,'il,','..,................ 121;:l1.7.2 S'.I'I,.:AI)Y Solut.iol_ l;'ih, . ............................... :,2_;7

4.7.3 S"I'I'_AI)Y Oult_ul,-l,isti_,g ., Vile. ............................. 2t;91.7.4 S"I't'IAI)3' alid DYNAMI(:S l)lol-I)¢_!a, l"il(,_ ...................... :271t.7.__ S'I'EAI)Y And i)YNAMI(I!N Sa.t_lrul.i()_l-('ur,,'_, Vil_ .................. :276

,1.7.¢i S'I'EAI)3' A,d I)YN;\MI(I,g ][ydralllic.('(_l_(lurlivily-( 'Ill'vr ["i]¢' . .......... :,277'1.7.7 I.)YNANII('S ()Ut.l_,,'l-l,islil_g Vii, ............................ _7"7,t.7._ 'I'HANS So,roe t"ih" . .................................. :2_:2,1.7.9 'I'I¢&NS l_ilial-('.ouditio_ i;'i/e .............................. 2N:¢,l.?.l() '/.'I_AN,g ()_l.l:,ui.-l,isli_ _ .t"il(. ............................... :2_::_.t.7,11 '!'I'_ANS I'loI,-l)at.,_ t"il¢, . ................................ '2_74.';'.1_ ()l.!'i'l_l..()'l ' i:'lol--I.)elillil.i(,l_ l:'il,' ............................. 290.1.'7.]:_ ()1 !'I'I)I.,()T (;r_-q:_hic_-I)riv¢,r l,'ih, ............................ 2!t(i

I_,EI?ER, I_3NC,ES 299

,A BATCH EXECUTION 3()t

B DATA RELEVANT T() THE REFERENCE INF()I_,MATI()N BASE 305

C I/,EQUII_,EMENTS F()R S()FTWARE DOCUMBNTATI()N 307

LIST OF FIGURES

1.2 ()vervi_w of Ii,c, 'I'()SPA(I' Ino(lulc :_tr,cI,lr(,. .......................... .I1.3 'I'()SI)A( ',Cal,,Ll,ilitics....................................... I;l.,t 'I'(),_I'A( ', lilllit._tioll,_ ........................................ 7

2.1 Strt)s iflv(_lv<_lii, ;t T(.)SIb_.C.cal,',l_tiol, ............................ 122.2 ()vervi_'w c,f'iI,, siJl,l)liiied lilill-iaili_,_.s Prol_h_lji........................ 132.3 S'I't".',.'_I)Ylille.t-data, fih, for th_,:illll,lifi_'(l illiil--l.,ilill_._;: !,rc_t_l(,.I,_............... 212.,1 'I'I'_AN._ i,ll,.t--da, t. tile tbr (,1...si,_t,lilird _l_ill-l,.ilit_.,_st_I'(,I)l,,l_................ :l()'2,5 t)art of lh(, %'I"I':AI)Y ot_tl)ut-lisl,il,g fil__for |11(:'si,_l)lili_'(l [l_iil-l.ili_lgs t,rot)/,'_l, ....... :_,12.(i l:)ari ot' I t1(,'I'ICANS (.)Ht,t)l_t.-li_ti_.; Iii(' For 1,1_(,,_ilt_t)liti(._ll_ill-t:dli_g_ l_r,,I)l(,l_ ........ :/(:;2.7 _l('sh/sl, ra.tigral)ll2," l)lot I'r)r t,l_(:,_ill_I)litird t.,_ill..tailil_g,_I,r_.)t,l_'l,_................ .1()'.J',(":,\Ya.t(.r v.l(,cii_y tbr t1., sil_l_)lilird Ii_ill-t_ilillg,.., i,r()l,l(:l_ ..................... ,1;/2,9 :_;_sllr(,l('._, al iii(' wal,(:,rtable, t'or l.h,.,si_]_t_liliM i,,ill-.l:_ili.g_ i)r_i_l,,lll ............ .17

2.11 ;':_'1] r(,_crl_l,ratic, l_ For ll_r _i_l_lified i_lill-.l.a.iliIl_.,si,r_)hh,_ ................... ri22.12. ()I;'I"I'IX)'I t)l(,l-d_,fiilii, io_ ti1_,tbr l,tm sillll_liti_,(I _ill-l.ilil_,_ l,l'(,I)l('l_ ............ 51

;I.2 I)'_'NAMI(_ il_l,Ul,-dal,a tih' fbr /,t., iI_hit)itiol_--.Xl,rri_.,l_l ,_il_,ul;_li_,l_(il_ i_.'_,_'(.,l_l_l_._,). (;¢)

3.,I Mrsh/st,ra.ti,_ral_lly I,Iot for 1,1_.,i_l>il)ili(..P_,Xl.,rii_.l_l sil_lati(,_ ............... I;73.5 ('l_ara('l_risli( ' r_rw'._ c,f (,h_,s;_I_l,l(' us_'d For til,? i_lt,il,il, i_-_'Xl.'rii_.'lli ._i_l_ul;_l,i_)l_..... li,'_3.(i (i{:,l_l),:)site Ilydrauli{' c(:,l_d.cti.,'ily of til{.' salllt,l{' _s(.(l li,r tl_{, il_t,it}ii, i(.,IH,Xl,{,ril_;'lll sil_l.

ulat,i{:,_............................................... 7{)

ii.'; ('.(:,_t,{.)silc ra t)_{'ita_c_',of {,Iw _al_lt,l{, .s(,_l for i,l_, i_l)il)iti_:,_l,.,Xl_{.ri_l..i_t ,qlll.l_ti(_l_ .... 7'1;I._ t'r('s;._urr--l._ad l'(.s,llt,s for t,t._ iI_lhibiti(,_P,:,×l)eri,_l(,_l .si_l_ulat.i(,l_................ 7;:3.9 ,_atHraii()li l_rc,lih.s t'(.,rthe i_l_l,ihitiolPext)rrir_l_,.i ni!l_l_l;iti(:,t_.................. 7;/3, l() l:ll_x l)r(:)tii(_ tbr i,t., il_lhil)iti(m-_Xl)_ri_._Ii_.._il_l_ll_tiol_..................... 753.11 Average. li_(,ar v(,Io(:ily of ',,,,alerlhr rh(, ir_t,il_il,ioli--_,Xl)eri_l.,l_lsill._l.li_,ll .......... 71;3.1'2 lly(lr_l.lir-('oll(l.cliviiy F)r()fih.sfl)r t h(_ ilnt;it)itioll--(,Xl,rrill.,lit _i_liulati(:,li ........... 773, 13 (h_t,acil,_l_c_'-('o,,ltici(',_tt)rc,filrs t',:,rrh,.. illlt)it)iik)n-(.Xl)rri_.,l_l _i_._lat,i,:_............ L";3.1,'i Av(:_ragr ,'..;a._l_l,l(.saluratio,_ fl.)r t1_(,iI_d.)il:)it.i(.)ll('Xl)_,l'iIl._i_l.................... _03.15 Sa,l_l)l_' _r,a.ss('l_t,gr for i,l,(, ii_ll)il,iiio, ext)c'ri_.'_t ........................ 8i)3.1(; Oll'rl:,l.()'l' t)l,.,l-(lr.fir, itio_ til(_ f'or t,l_.riF,lbit)il,i'.)l,-,::Xl,,?ril_.._t sil_.l;_.ti(,_ ........... Sl3,17 l'rt'ssure-t..a(l r(_suli,sfor t,h(, i_ai,il,il, io.-('xI.,(.ri_l.>ilt si_l_ul_tlioi_(wilh l,}_(,iIl_l,li(:il,l.'ss l',_,.'-

tor set Io l aI_<lthe ti_l(?st(.g)fa,(:lor sri _o 0.5) ......................... Sr_

1 3.18 (',IO,_S-S('CIi'.:'_I(:'t'YUcca Mol.llllaill sl_(',v,,,it]gtt_(, g(_(.,l(_;i('sl.r.ti_;ral)hy _1_.]1.11_'l_,('a.,i,i(:,_o1'l,h{_potential r_'t),::,sii,ory. ..................................... _(;

vi 1.1,'¢'1'()I.' I,I(;I_I¢I..,'H

:I,l!) S;i1111)lili(';x(i,:,t)(',I'ill(' g(,(-)rl,'(,t'y.ll(.l g(.c,l()gy of V,v('u _1(:)lIIJt_ill1'_,r';'L"I'()SI_)A(' (':).IrLll;_,(i(>ll.(';'7;A._(.)_'I'I",AI)V ii}l)l)(,-,.latu 1]1(,t'()r tl., v,,_},,'-.;t(:>r,.,I)O_it()r3' ;,]lli,l;|t.i(,)} ................. I)():I.'2I 'I'IIAN% i[i[)lll-(J;l|._'L Iii(" i'()r (.If(' w{L,.4[t,.-r(,[)(.),,.4if.c)rv ,"-:.ill[[l]{).{i()[l .................. !}_I

ii.'..)'...) 1'ur(, oi' (,Ii(.."-;'II'_AI)")' ().(]>,(--li..;)Jii_ Iii(, r()r (Ii(, v,',st,(,-r(.[,().,-<i(,or>,_iililll,.(,i(.,I}......... !)!);_._;) l)ur( of ii)(. 'l'l'i,.\N_ (),!,l)li(,-[i...<(ili_Iii(. for (,l)(' '.',.,;_..'.<l,('-i'('l)()sit()I'_;siIl)_Jl;_(i(,)l.......... I()I;I._,I _lr:'-;ll//_t,rali_':tl)lLV I)I()(,l'lOr(,llr _'_,_).....;(,(,-r,,l)o,,-;i!,_>rysiill,l_lliol) .................. I():!

;I.'..>_)(lll;_r.rl(,i'ist i(:'vlJr_,'(,,:rot lh(, fru('i,1]r(_))l_(,(,,),i__li_,,._(,(lr(:)r_]I)i(,rsv,,.:_-3 i)) ill(, v,_',,,-;l,,,-r,,l),)sit(,ry_ii_l_l;_(i(>ll............................................. 10.1

:l._(; ('())_i>,::,sil(' lLv(lr,.t_li(' roH(l,(.'livily ...;('(1t'(.)r(llii(, '1',';_','2-;)i}_tlm %'_'elsi,(_-)'(.t)(,si_(,r,','._illitll;',(i(.)ll.l()(;

:{.J']" ('(:,l)l])()Sii(' C;).])_l.('i(;lll('(' (.'O('[]]Ci('lllS tl,":,,'(1 [(:)r lllli{. 'I'_W_--;_ ill Ill(' w_s(c--r(,l)c),-,..;il(,ry _illllllali(:)ll. I()7

:I.',.])8l>r(',-,_I)r,"-h(.u(lr('_Ill(,:-;for (,I).('',','a:.;[,(,.-r(:i)()_i(,(:,rysii_i_ll;),t,i()),i................... ]()_:_..'2!),_;',(,_ra(i(:>ill)r,:)iilrs l'(.)rt]:_(,v,';)._'[('.-r('l)(>,'._il,or._','-;i)_ml;_l.i(51_..................... I()I:):I.:I() N()rlltuli/,(.,.l Ili_× l>rc)fil,.:, rot (,If(,'.,,.':t,'.'.l,('.--r('l)osil,(:,ry,,<i))_,l.(i(>i}.................. II():I.'"l., A','(,I'._(,, li)_(.;_rv(,l(:)(:i(,v.(>rw_).(,..,rill (.l., li,_tr'ix r,.-.)r(I)(, _,',';).sle-r(:1)()_il()rv.siI},,l;_.(i(,)_. . , . . I I'),_:+.:I',.]> Av(,r;t/(.+ lJl).(._).rv(,l()rii,y of v.,,at(,rill (,}lO rr+).('t,)_t.,.,sr,.)r til(' v,.';,,,,<t(,--r,,,p(,,:..'.it,(:)ry:'-;illlll}+tl.it:,ll .... I13:+,:I;')ll3',Ir+)..lir-( (,')i(ltJ('ti,,,'il,,.'l)r(.)lih,,,-;f<>r(h(, v,';._st,('-.r(,l,(>_it(_.)r_',,-,i_ttttl_.+(ioI_.............. 1l,l:l.ii,l (',_).l);|('jt;))ir(,-ro(,11iri(,i+(,15),(.lil(:s r()r (,ii(,v,,,;_,st,,'.-r(,l)(:>,..<it(..)rv.'.<i)ili_]+).ti())t.............. 115;I.:I5 'll'aV('l (,iii)(, ()r ':..'_tt(,rfor i,ll(, t_lill-l.ilit_g.s u)_(.lv,';|._t('.-r(.l)(,.',it(.,ry.,-,it_i.luti(,)_s.......... I l(i3.;)(; ,,\','('r;L_(' lil)(,_).)'',,'(,l<,('i(,yor w_t(,r ((:())_/(1_.,ri)ig Iii(, r(,si(.l,;_l _,,i_r,.(.i(>)))rot (I_(, ,.',.'_...<t(,-

r(,i)osi_or>,'_<i_)tl]la(.i())_....................................... 118:I.:17 _1<)i,'.<(I_r('-,.:()_l(,i_(i)rolil(.s ror (Ii(, wa,s(,(,-r(,l)(.),'..;i{()r,',' ,'-,il)_ll_)t,i()I_................. 11!)

3.38 l)i,,.<r)(,rsi(:)l_-(.'()(,iliri,,)_l,l)r(;)lil('.,sr,.:)r!)I)'I'('i)} til(' ',',,u_(('-r(,l,,,.,<il,()rysi)l_lil_).t,i()i).......... I?I:1.3!) l'i,(.(,,r(l.(,i(,)i--ru('l()r l)roli l(',,-;I',..5['"!"rr i_ (,]i(, v,:u,_(,(,-r(,l)O,_i((>r,v,,.,i_}i,l_(,i())_............ I'2'.):_.,I() N1;_(rix/l'r.('ll_r,, r(:',,l>li|_ r(.))is(,ul_(,_ror _)_)'I'(,i)_ (,l., ,',,._l,r-r(,l)¢,sil()r,,; >;illi,1,.(,i<>l)....... I',_),I:I.,II _'_)'1'r('(:))i('(,l_l,)';_ii(.)l_I(:)r(,Ii(, w_:_t,(.,r('l:)osil,(>ry:.i[)_ll_li(:,i_.................... I',.>,')3.,I_ :'""1'v r,,)[i('(._(,r;,,(,iol)._,.v(,r (,illi(' ,_:,)icl(.lls(,;i.i_(.<.l"()r(l_,, v,,,,.,.-;l,(,-.r(,l)O:,<il(.)r,_,,;,i)))_liuli,>il...... I_7;_.,l:_ "'")'I'('col_('(,li[,ra(,i()ii i)i (,]_(,sotlr('(, r('._i(.)llr()r (,Ii(.,wa..,.;t,(-.r(,l)()._il(-)ry,'..;il)lLll;:t(,i(.)ll......... l',._8:I.;l.l _....I', r('l(':),,"<(':i(, 1,11(' ',va(.er (,,.l.,l(,r(>r(.l_.-,_.',,,;).,_(,('-r(,l.,_)ni(,(.)).>,,'.<it))_]la(,i(.:)).............. IL_!)

:I..l(; ()l!'1'1'l.,()'r),1(:_[-.(I(,fi_li(,i(->l_{ii(, rot t,i)(, v,,,;)..<..;l(,-r(,l)(5,,..:i(,(.,ry,"-;illlilla(i(,)ll .............. l;l}

,I.I 'I()._I'A( ' ,'411l._1.,I.,_t,r_r(,.r(,. ................................... :)7,I.'2 'I'(),".;I)A(' INI)A'I'A )_)(.)(i_)l(:,_(.rl]<:l_r_,.............................. :)!)

,I.:_ NI,)i]('l,.r(, ()r (I)(, INI).,VI'A .,.;L_l_r(.)i_(ii.,INIIVI)I'I,() (l\.,r N'l'l,;,,kl)V ,))(I ])VN:\.\'II('.",; i_ii)_]((I_-_(,>_)................................................ ,I()

,I,,I ,_i,r,('l.i_r(. ()f' tli(, INI)/YI'A _,_l>r(>_(i_i(,IN'I'I'IANS (l'(:r 'Ii'IANS i))l),(,.l;_(,;,,).......... .II,l..r) I);_(,;_151<.)<'I<_............................................. ,IS

.I.(_ _;_,(,_ir;-_(.i_.>l_rll;_i'ar_,(,risl,ir r,rvos l>r,.)(.lu('('(._l>y _.h)'('('(liIl'(.r(,_i!I_,'th<)(l._............. ,')8

.'1.7 lly(Ir_.i)lir.-r(..,_(l_ir(ivi(,y (:l)_),r._('(,('ris(,/c('ilr'v,.','-;l)r<:.)dl_('(,dl.,,y)I_|'(_('(iifI'('r(,i_(,))}('(,li()(l_.,;...... .')8

,1._ A l_|_(,('ri_l.-t)rol)('rl,y I)lork sh()v,'illg tire (lifr(_r(,)l(w_b,s (() Sl)(,,,iry hy(lrologic I)rt)l)(,rl.i(,s. . . (i()."I.!) (,()'r(>sl.()ll(i,"]_('(,i>(_(,,'..,(::(.__(,_l_ l>()i_l(.,,-;,('('lls, _.i,)_,',_h(,,_, _)i(l ._('(51(.!,.;i(',_li(,.'-;......... _il,I. I() _I(:,_._I_I,I(_,)('I,;._(,i.,r_,(,,.,(1[)y (,Ii(,hi|(.(.)IIi_I(,iC [li(',"4]I _)('ll('r_).{,(5.r. ................... ()8"],I I _1(._l_//_i,r_,(i_r,l)li\ ' i)]o(, of ()le |il,_l_ (l('fiI_('(liI_ l"i_|'(' .i. I().................. 70,1.I_ i_,{,_I_d,)'y-ro)_(lil,i(_)|_11a_s tor S'I'I:,AI)V ,Ii(l I)YNAMICN ................... 7:),I.13 I)'YNAMI( ',_ l)o,|)d_).ry--('o_di(,i()i_ i>lo(:l<e,,;._._ll)l('. ........................ 78.I. I,I l')(),)),J_-_,ry-r<)i_(ii(,i(,|)II:_,_sro|, 'I"i:IANS.............................. l_)(i,.I.I_) 'i'l.i,AN_ l>(.)_|)|(l_,_ry-ro|_(li(,ioi|I,,I<)('I<(_×_).|_|I,I('........................... _():),I. ](i 'l'l:i,ANS i)li(,i_1-('o|_(li(]o_ })lock (_×u)|)i>l(,............................. :)()_)'rl.17 'r()_l)A( ', S'II.;AI)Y _..,(:lul(, ,_(,|.,(:(,,|,e. ............................. _()7,1.1,'.;'1'()SI):\( ', I)'_'N.A_II(,S i|_o(l||l_-,s(,r,("t,_r(, ............................ '212:I.I!) 'I'()NI:'A(', 'rl._ ANS _|_:)(I_|l(:,..;t,r,(:t,r(, ............................... '2,) [8:

L I,%'11'()F Irl(f; l rtt EN vii

,1.20 T(1),.%.'I:'A(IIO (T'I'P I.,O'I' module, sl ru('t, urr, ............................ 2:23

,1.2.1 St,ruct, ure. of sul_mo(tule t,o defiue _;'l'l!'.,Al)Y t)lol,s ........................ _2:25

4._;2 .St,rlJct,ure (.:,fsLll)lnodule t,o de|iii(: I)YNAI_I I(.',S l)lOl,S...................... _2_1)

4,'23 St,ruct, ur(_ (:)f,'-;tlbrllo(tule t,o d(-_til._ 'l'ltAN, _, l)lol,s ......................... '.22;27,I,_'t Sl, rtl(:t,ure o[' sublllo(lule t,o collsl,rtlct, t,h(! grat)lii('s-driv_!r tilt,, ........... ...... 2_2_

:t,;25 lll{,errela.l, ioTt,'.._itip(:,F'I'OSPA(_ files ................................ 21;,1

,t,7.6 S"I"I'_AI)Y ii l)ut,-dal,a [ilr cr(:,a,l,e(l t)y a l,_.',:.t,r(litor, (:()llt,_lil_ill_ t,t.:' _aJl.' (lat,¢t ;_s l,lt_' iJll)_l,-

(.tat,a. tih. sl.:,_,','ll il_ l"igure '2),3................................... _2t;8.t,27 li"or_lat, of l,h_, sat, urat, ion..('urw:' til_:................................ '.2)7_

:'t,_28,For_l_a,l, of _.,l., hy(lr;u_lic-.coudu('l,ivity-('urve, lih, ......................... :279,1,'2[) lror[i_.al, of t,l_e 'I'RANS s()ur(:e Iii(,. ................................ _2_,1

,t,;t0 l,'or,_al, (.:,flh_, I'RANS ini_.,ial-(:.o_dit, io_ iii,.:........................... :2,_:'-)

,1,31 O(!'l"t"l.O'l' l)l()l,-(h::fiuit,iou iih' ('real,cd I)3, a l,(_xl,_,(lit(,r, r(:,I_l,;_.i.i_l_ t l.' s_l., (t;_l;_ ;.,_ tilt

plot,-¢tetil_il, iol_ lile showl_ i_ Vie;urr 2, l:2............................ _2!)7

Ackrlowledgements

r'"_ "b

lhc _ultllc,rs would like 1,o t,ll_-mk Polly llopkiils _,ll_:ll{_:l.llyB_H'Zlg_.t',,tt'or l.]l_,it' l_el'sew.,r_lIlcc,in reviewing, correcting, a.Jld c,lari['yir._g t,his Us<,r'_sG,.lide. 'l'}le _-l.llt,llol's v,,ollld _dso like 1.o

" -' '""""' C.t lla.nk Shaa'on Sha, Ilnon for her a,ssista.nce ill pl'ogt'aIllllliIlg , t_,_l"e'\...... . ,

,,,iii

Chapter 1

INTRODUCTION

1.1 Overview

TOS1)A( ', is a. colllput,('r l)r()grazll l.llat ca.l,:ul;i.l,es I>artially satural,ed grotl_l(Iwater II(_w wit li l.tl(,

tra, nSl)Orl, o1"water-soluble cojltanlinallts. 'FOSI'i_.(. ', Vrrsioll 1 is r_'slrict(.d to c.lc_ll;tli,;_l,_: iz,v(,lvi_,,e;oi.,-dit_.'.sional, vertical c-)lutl_nS ()f o,.. or _t_ore t_etlia.

'I'OSI'A('. was (t_,v,.qOl.)('(l to Ilelp answer (ttl(:stiolls surr()ll,l(li,,g tt*_' I)urin, I o[' tc,xi(' ,a'ast('s irl _tri_l

regions, l"_tlrial of wasl,es in arid regiolls is n,ttraclive I.,caus_, of generally I()w I)(,l)ulali(.I (I,',l,sil,i.".'-..IJ,I

little groundwat(.r [low, i,I the unsa.l, ura,t(:_t zor.,, I,o disl, url) l,ll(, w3.sl,e. 'l'(),ql_A('. I.,ll)s I(, (l,la_,ify

gro_ll_(twa, l,('r tlow a,i_d l,]_e st)read of contau_i_al, ion, offering ;,.I_id.;_ _)f wl_al, c(:,t,l_l t_al)t._, i,_ 1,}_(,

dist,al_t t'ut,_tr('. Figure 1.1 illustrates tt,e l_robh.l_ 'I'()SI:'A(! was _l_,sig_,d t,o i_v(,sl,ignte.

[,'or groul_dwal,(,r Ilo,w, T(.),';I'AC, (:a,I_ I)rovi(le sa.l,ural,io_ls, w.lo('iti('s, ;_l_(l ;_n_t trav,,l l,i,l..s f'(,r wnt_,r il_

the ro('k _lmt,rix or the t'ra,('t_res in tlm ultsa, ttlral,,pd zolm. 'I'OSI'A(: ca,,, ([(?l,er_lil,e ]_c)w t,','(Ir'c,l,.,gic

conditions w_,ry when the ra,tc of ii,_tiltra.tio_l (:ha,_ges.

For (:o_ta_dna._t transport, T(.)SI:'A(7, ca_ (:olnp_l,e l_(:,w _u('h of a. ('(,ilta._i_ilia.nl is diss_)lv_,d i_l l.l_,v,'a.ter and how ii..is disl,ribute(I, 'I'()SI)A( ' can deter_nin(_ how fast I1.. solul, _ is :_o..'iu.< all(I I,t_, sl_al. _

of tlm concenl,ra, l,ion frolll,, Alld 'F()SI'A(: can be used to i_v(_stigal.(, h()vv inu('l_ of II., ('(_lll_llllill;.ll_l

r(qnains i_, the im.,entory of n. r('pository, l_ow lnu('l_ is adsorbed (.,l_l,()l,t_r soil _.,r ,'_ck ,_ati'ix, al_(l I.,v,,urach r_'a('hes the water talsle.

Effectiv(" use ,:.)f'I'OSI:'A(I.', re(luires k_(:)wledg(_ i,_ n _u,_t..r of (livrrse (li_('il)lil_,s, i_l('lu,li_tu, r,,:_l-worl_l

groundwater [low a n(t tra, nsporl,, the _l_a.l,l_em;tti(al _n()dels ()[' groundwal,_,r [low ;_,1(1irallsp,_r'l,

r(.'al-wc, rl(t data rc,(luirrd f(:,r the n_o(tcls, arid the nul_l(!rical solul,iol_ ot" dilt'(,r_,lllial _,quatiol_s. l'](t_laliy

import, a,nt is a, r(.alizatio_ of the limitations intrinsic t(:, a ('(,_pul,('r Ill()_h,l of ('(:,ii_l)h'x t,t_ysi,,nlpheno_e_a. This l.ls('r's ().uide not only describ('s the l,_e('hanics of (.x('cuting _I'()SI)A(: ,)1_ a ('c,_l_l)t_l,,_r.

but, nlso examines these ()ther topics.

2 CItAt)TI,:I? 1, IN'I'HOI)t;(:Ti()N

,,f'.... •

'_'_'_::Ii,",_.,.

_ :.k_g.,:' Oo

MULTIPLE',FRACTURED,_ _.---..._UNSATURATED _MEDIA

'"- L liP'. _ WATERTABLE

lrigllr(, 1,1: Th(: quest, i(). 'I'OSI'A(I', was (tesign(_d t,o exallli_l(:,

1.2 User's Guide Organization

This U,_er's (3hide is a cOnll)anion (h)cunl(_.t, to 7'O,_;PA(7 l.'ol,umc 1: Physical an.d 51ath(m_lt_cal llas(s

(i).dley ct al, 1988). V,,l'u'mc I provides a descril)i, ioll of the physical ll_()(tels a.ss,.jm(.d during the

(h_vclol)nl(,llt of 'I'OSPAC'., the Ilmt, hellmti(zal tllo(h:.ls used in 'I'()SPAC,, t,he mIIn('ri(:al tech.i<lueS, att(Iva,riollS _xa.rnl,le I)rc)blenls illusLratiug the. apI)lical, ioia (_;fi,]tes(, mo(lois an(t t,e('hlli(lue,,_,.

i,"ohtnt.e l was writf,en for t,h(, l'_;rson wa,ut,ing _.,ounderstand l,t le i(te,_s ])ellind ']'OSPAC; and t,lle

illq)lical, ions and limil, ations rosulting froln those idea.,s. This User's (.;uide, Volu._,e 2, was writtell for

the. persc, n wanting to . u(tersta.nd t,he n.:cha.uics of 'I'()SPA(', and waul, ing to a('[lievc' _.:,a.ingfulresull,s.

'Fhis ()s(;r's (i;ui(te combines a I)rimer, s(;veral exauq)l(, l)rol:)l(,_l_s, a_.t a r('f_r(..c(; _.tr, ual, (_hal)t(,r 1 is

;_.:niutrc)(l_cl,ic,_ containing a ge_mra.I d,._scription of TOSPA(',, the rea,sons for its (l(_vtrlol)nl(,_ll, its

capabilities ;u_d limital, ious, a,_d a ,;un_mry of its a,pplica, l,ions, (',]_apt, er 2 is a pri_.,r (l(,s('ril)ing a.siml;le tern_inal sossion wht.re TO,qPh('. is used l,o ca,lcula_,e grolal_dw;).l,_,r co_l,a,.,niuation from a

ura,.iu_ _nill-t,a, ilit_gs pile. Chapter 3 contains (h:s('ript, io.s of two cxa_pl(_ l)rol)lc_s: first, a si_nl_lat, itm

of a, lat:,oratory i_ubil)il, k)u experimeut, and second, a si_nulat, io_ of grouudwater cont,;_lafinati(,_ fr()_n ;t,

conceplual high-lev(-_l radioactive wa._Le r(_pository (a l)roblern taken frown Volu_nc I), C}_al)ter ,1 is tl_egeu(;ral ref(_.rei_(:(_, cont, aiui)_g a d(_s(:ription of (,h(_ sl,ru('l,ur(: of 'I'OSPAC aud a descril..(,ion ,.)f li.,

'I'OSI_A(I: tuo(lules, hc,w (,hey int,erac(,, th(-,ir iUl.)U(,requirenlent,s, a_d their OUtl)t_(,. The Apt)endice_:

cout, aiu a, discussiox_ of I;a,tcl_-mode execul,ioll of 'I'OSI)A(: and various infornml, io. re.(luired I,y l,heagency funding this work.

1.3, BAC_K(,'I_OIWD ;t

The user is advised t,o read ('haprl,er t and work through ('hapt,_,'rs 2 arm :ii. ('l:,ptc, r ,t and tl>,Appeudices can be ,used a,s m,,eded, Eor i,li('ortaatio,rl M,mt specitic itlpu,t data, S,',ctioll 4.2 c,:mlai,l_sdescriptions of the data r,equi,red b_' l.he "IOSPA(" ,ca,lculati(_ual _no,.lules. and ,S,<'{,iorl.t.6 coul,aillsdes(:riptions of the da,ta required by the 'I'()SPA(I'. comr',utvtr-graphics r,_tc,,tuh,,

1.3 Background

TOg PAC ',,,'_s ,:leveloped at. S,.',and ia N'a,(iona'l Labor'a.t (._,ries ,(SN L) .fdr t h,' 5'uc,: a b.'l,ou_1_ai li NlieChara.ct,eriza.tion Proje.ct. (Y Ni:P) of t.hc. U. S,. I)epartt_lent of Energy. TOS I:)A(' is atll a.cr_ll3'1lt for rh,'"'l'(.)l;al S,,'stelll Performance Ass,,:ssTil;ml Cod_.,."' Initially. ii. was int,c:nd,,.d 1:.,:,_no,t,:.l. as silnpiy a,srea.sGr:table, ali the systeIl:ls o[' a gt,.ol,,gic wa,st.e .t¢."l_OSit._ryfor high..b",,1 radioactive wast,,, iii it.,,,p:',,.,,.,.n._forl,ll, 'lT()S PAl" lllOd(,ls the II.tlsat urat._.,] gr,.)ui,id',,;al.er flow, t }J_:'_"OHII ;tllilllltlll. ,%('11'11"(' ," |(T.IIt, bl,li,] {'hO

groul:_dwarer t..rar_sport syste.ql:,,

()_w of the example prol_l(.'ms in (,hapter 3 d,_al.swit li a :drrmla(ic,l_of a t,t::',,en'lia[ ra,li,:,a,'liv,,-wa,:.,l.,,repository at Yucca Mou_lain, Neva.cla. Any r,'fl_,r,ncvs t.o Yucca .M_mn/,:tin in ttlis ,.Jl'I('IIIIP'III{1['(:'for .aillustrative purlms.es ol_ly. The calculatio_)s in this I.ns_,r',,,(;tli,:h:. v,:il'lhav_, J_oI_.,.,atri_g,,r_ _tt,: ,'V;tlllilt.iOIlof the suitability of"Yucca Mcnlntain a,,'.;II'le sil,_ _)t"a pot_en,tial r,,'l,osito_y.

'I'()SPA,(:' _,,'&s_lot int,,t_d,.d .t.<)break n(,w ground, eith,'r ia [itod,_ling c,r i_, _u_,_,.,rical i,'ch,:_i,lu,.s.l_..ath(.,r,'[(3SPA(.: wa,s de:Sigli,,,t lo cc, tllbin(' k,l]owrl n_c, del,,; alld _techrlique,,, illlO ;"t I,aCl;ag,:' _l_,al,I,,},y a_engine,,',r or hydr,-._logi.,.t. 'i"t_,.'original de.si;.,n cri.t,:_r'iaf_r 'I'{)SPA(" v,',_rea,s f,::,ll<,w.,,.

• Fa,.,,y to learn and use: ca,sv t.o e_t.,:'r ,]ata, vasy t__,'x,'cu_,,._ o1_a ,r.olnl)ut.c,r.p.,'c,ducil_g t,,s_._]l_,,tl_atare ,.,asy to Illida!rsi alld ;

,_ ["a,st: _,:>st problenls c_)_ll,:tb,:' sc,lv,:d lr, a ,¢irlg,l,:.'.,,irl.ing at ,the col_ll,utvr t,,rmil_al:

• Corr,:.cI: rh,:: res_ll.s had t.c,1,,:,a.,:'cur'ate ej_,)_lgllto il_et,,a.,,,_,tl,,.e t:s,:-,r'sk_,_owlvdg,,,:,f ;.tr_el)<,.,.i._:.,r,,'_;L','stt,ln(b;:tst,d o11,a.ccep/._,d . aJt/l:lotlg]l not nec,.,.,,.,.arilyt r_l(, physical I_lod,"ls) wilho_t b_'i[tgmislead ing;

• .Port able: _ ritten in standard FOI:f[R k N 77 wilhout machin_:'-l:_r,',:'isior_s,"nsitivil i_:>so,l.[l;i1,iicould be execut.ed on most colnpUt,er' ss'st.,'l_ls and could be r,,adily ;_o,:titi,,,t .-...hod,ldt tw lw,.d ari,,v.

The design philosol._hy chang,',] during rh,, dev,qot,_n,:'l:,t c:,fT()SI._A( '. 'lh,, d iff,::r,:i_tial_-.,t_ati,..msgov,.:,rning unsaturat,od .groundwat.,,r flow I.l_r,:,ughslt'a_'.iti,,,.],fta,:'turc,.t rock coi_tai_, n(.,nl.i_,,ar ,.,,r_ns fl,rhydraulic c<md_+ctivity atm ',_,'at.e.r-st:.or;:+g_:,capa.<:it.yan,l {h,.+,:',luat+i,;.msat,' ,,',%vdit'li,:ult I,(, .-,.+Iv+,.Likewise, t.ransport, issues (su,::h a,s ra.tlion.u<:'lidod,:,cay, hydro<:tyIla_,_i,:dispersi,:m, a.it,] t_tatrix :tiffu.,,io_) -_added cornl_l,-"xity t.o T()S]'A(". Th_s,:. iss_e..shad t,o h,. add re,sscd in ord,"r for 'I'(1)SI'A(' ca/,:',_lati_m.q1.<.:,be valid. '['}l,_s, TOSPA(;" is not a,s ea.sy t,o use as wa..,.:tlrst,. ,.,nvision,.,l. I:"_r_n;uiy Im._bleq'l_,-.h,_wever, ':'I'OSPA(: can prc_vide u,_,,'fulresult.s while _l_irlimt;e_ingt_usywc,rk I:_ythe. u.,.;cr,

,1 ('tt/IPT'ER 1. IN'I'I¢(H)Ir("TI()N

1.4 Technical Overview

A.<,_tio;vil ilt I::igur(_ ].2, '!.Y)St>A(I colisist,_ of' _i.',_t>art_, or lli(Mliie.'._. 'rtl_' ti_'_t lii_,.luh:' is the $1{i';I,I.,

thai coi,it.rols it:ii)! <_t}l("i' [i_,'{̀' llioduh:'_. 0[' th_; ot.ile.r titre IIVidlJiltti_, ()ILl' £I'1!';.IlO_4i.lll([ Iriodifi.l'_s ili]lllt datafile.,, (iii( c'IN:I)ATA ll.loctli]('), ;:tl,ioth(.r ci"eatl.s CC)lliplit(_r graphi,:':s of".t'OSl>A(.i r,:Slllt,,J (lhc ()ll.J'i'lJiA)'r

rllOdt'ic'), ;ll'l(f t iiroc il'tOdl,llt:'rs ..'.,()IV(:differ'elitial t>(lllbll,j,()llS, "llit.' lliOdillt,;,_ {hltL l,,!'7't'tlrrll t[io iit"lllal

eaicu[r.lli(,iis _,iiid iilr, di!fi>.i",:'llt.ial equations riley s(_l,,,eare :,_.,<foll<,ws:

ii S'lI:;;',%l)"_i': i.tie ,,i,,ady-:._t ai(.,-flow ,_olvet i liar sol'_'_.sDarcy :_ Law;

ii ])_i'_ A !d !(.'._4: iii(, lrltrif._i_lil-.llov,' s_l','t,r l.]iai s(,l_,(:,s ltit,liar,.ls' I'i]qu_.ltliOli_all,t

I, Ttt AI'_S: liit,, i.l';t_llSl)(_rt,solvi,r i.]i_tt S O ] r_ 'l _s _t' gCll('ra] _tdv,:'ctioii-dist)(,rsic)li _,qllltli(,ii.

l'iit,, calc_i,l;.iiiolial iiic,.duli,s _t' 'I"()SPA(' .c'o,lifigur(, i tl(, ,l{ffi>rl,lilia] l'qilat.l_,ms a,s t,_,i.iil_:tar)'-'vaiuc l,r_Jiil_,liis

iii SlmC!,, alid i iJitial-\'airl<, ILrc.,t_i_'lrisiii l ilii_. Ali i}irt,.(, iric._tuh,s tlSt:_'t}ie tiliil_,--/'iili"_,reli(',, lii_.ttio,;t wilii ;.iiitl,u lt,i'i_.li'i 1.1i,_;_ti.

TOSPACSHELL

o#._,NoATA_t __t(INPUT

DRIVER)

STEADY DYNAMICS

(HYDROLOGY)1 (HYDROLO,GY)

-Zi .T_ --- 1......../[""A"s'o_T'/ l

[:igu r_:' 1.2: C)v,_.rvii,.,wcff th,!_ "[()S t_A(_ lrloc'it.lli.' strll.,:'t.ur,.

.1.5. (7!At'A..ILITIES 5

The hydrology [nodilles (S'I"I:_:AI')Y and I)YN A Ni i(:S) solvt, For [,r_,sslt r_., ll('ad, wi_11hyd r:lll)i("coI!,ducl, ivity and wat(,r-storag(, capacity (,:,al,acilanc(.') st,(.,citi(',i a,.-.flltlcli()lks of l)r<.ssure I,',,d. 'l'h,,

nwdia th.r'ong}lwhich ttov.' and transport (,c('llr are des('rit)_'(t t,',' a colllpo,'.;ilt,-t.,r<,sity ll,:,(l('l (I)_,t,.'rsand Klavel.ter, 1988). Matrix and fra('t.ure Ilydrologic prop,..ri,it_s are st)(.cilird Sel)aralely (v, illt

saturation aJ_d hydrauli,'-comtllctivity ,::lmracterisl,ic curves for va<h), (hfir c()_lfl)il.,(l llIi,h,r 1t_(,

asstlmption that, the pressure lwad irt the Illa.t.rix equals t,t.' l)r(-ssur(, }.,a(l iI_ (h,, fra('tu_,.s.

The t,rarlsp{",rt Illodule ('I't'{ANS) uses (he rc,.mlls f'ro)l_ S'I't']A I)Y as tim hydr(>logir hackgr(,,t)ll,t t;,,rtransport. 'I'I:)ANS solves for c_.)llt,anlillall(, c()ncelHral, i(r,n,, IlSillg (W_, ':,(._ul,le'l (ral_st,(,rl ('q_)nli_m,'.,- (,iu'

for (,ranst)ort, through tlm _=mt,rix p()r(:s and ota, f(,r tral=,.,;p{.rl ([=.ro_g]= t.]t_, ['i;.lcl,urcs. :Ft.,r,, is acol_l)ling-strci=gt,l_ para_n_'t,er that, ca)_ t. • use(| (o t_mk,' trh(. i_tl,era('tic.,=_ I)etw_,(,u Ii=at.rix ;.=_(t fr';:=ct,_=r(.s

stronger or weaker. For very strong coupling, the _ta(rix a)_d fra('i,_re ('_,_ll("_'ll|[',_t{i(_llS ,:'tr'(' I1' _ll'ly ('(lll('t[

bul, for weak couplh,g, (h('y can })(, signi[}canl,ly ({}t['('r(.nt, v,'i_'h c()lllalll}lla'l_Is iil,.:)villg ['_t,,(.,;l(.l'l,}lro(l<{i

II.,' f'ractur,'s lh[:tl| tlll'(-,I.lt._lt III(:' _alrix.

l:olu_,_ 1 contains a detailed d,!:s('rit)ti(,_ of iii,. matl_,l_mli,'s _s(.d i)_ 'l'(),qtbX(' _l(,rc int',,r_l)ati(:,l)

al)(:tlt the st,ructltre (:)[ '['()SI)A( ' ('ali ]+e fo)ln,d irl ('hal)t_.,r 4 ::)f l,l:ri,.;[!s_,r':+ (;uith,,

1.5 Capabilities

TOSPA(? wa,s (h.'vel(:)l.:'d t.) assist i_t thr i.,rf(,r_aIl('c a,s:ee,..s)_..._t, _:,fa ('oi_C,,l,),,al r, i)c,sil()ry f"<,r

big,h--level radioactive wa,s'_e, ()t,'av, r ('(-)t_i)uter _(:..h:,ls f_._rtlt_salur.:tl(,(l gro,_,_(iwal_,r tiow ;tl.l I r,'._l_,....l)(,rl

exist(,(t, I)_lt, nl()s( lack(:,d (",,rl air) esse_tial f,'a) ure,s. For ins(an('c, i_.,.,.<t w_.r,, (l,,v,,lo l.,(l f.r t)r,)l:)lel_.,<im.'olvil_g soil rath.r than fra(,I._red rock, Als<,, illariy did _o( allow f(,r (Iu. d,.,'av _,1"r;..li,)_)l,"li(t,.c(.)ll { ,_:tI lii II_t I11 s.

'I"().(';PA( ' was (lesign;'d with Sl)(,(:'ili(' ('a))al)iliti(.s t(:)ha)idl,, l)r()[,}<'))>; i)_},.r,.)_l t(, wat,,r ll(,w ali,J

('o_ita))tinant transl)c)rl i_) f'ra,ct, ur(,,.l, ut)sa[ural(,d, st.ratified r()<'ks. 'l.'l.'s(, ,'al)aI)ili('i(,,,< ar,:, ,,,_)))i)_);-tri/,,,l it)l:,'ig:)re I .:].

'I'OSPA(I: v,a._ n,quire_i t() l)a))(lh:, siir-scal(, l)robl,'_I)s (i.e., l:,r()i)l,.')))s with h"ii_li,s )),.a..,,ur,.,i i))

kilo)n('lers, c(>l_la[._)i))ar_(,s ))t(:'a,sured in )))(,tri<' ions. g('(;logic st,rata will)t){lii(:,ns ,,f' il),tix,i,l_),._l fr/t,')_)',....,

(::tc.). ,qit,.'-.s('al<' l)robl(,u)s <',:(, ,,,i,w,"d _ta,rros(:'(:)l)ica:lly; t)_icr<)s<'(,l)iC l:,'atur,..., ar(' (l,::,cril),'.(l l,_ l,_)Ik

prC)l.)erti(.s. Th(.' Cal)al:)ilit.,,> f(:)r site-:al," nl,.)d,'li)_g iull_),'I_c,,l _<'t_ ,,f' 'l()._l"A("s (h',<i,z,I). l{al l_,'r (l_a)_._)_(:,d,"lfractures i))dividually (so[)_e)l_ii_g u()t l_()s,<il)l(:,i)) (,no di)_,.,)i;<),m, a):6'way), '[()._['A(' u..._::,a

cc))_)posite-l)orosily ))_<:)d<'l.llydrodynatnic disl)(,rsi,.:,_ i,., ch.:.).ra.c_,(.r.iz,,<ll)y a )))acr,).,.,<'(,l)ic ;.tl)l)r()xi)_;_i,.))_of an i)_h('r_mlly _nicros('c, pic proc<,.s.

T().q_)A(' ',),'_,.sr_.quired to s()Ive l)rol)h:._))s il_ .tl,., unsatura(_:.,l /o)),' (_I_,, r,._i()_ al)()v(, (I_,, x,,'_l(.r lal,](.).

A l(.)calio)_ for a pot('lllia] r(.p,:,,sit()ry for l_igh.-l(.vcl v,"a.sle is i)t (h(. uJ_sat_r,t(.d /(,)),, ;._t")'_)(,a Nl,.)l)_lai_').

lt is postulated that t,I." nnsaturalvd z(:),_wc(:,,ul(J t)(.. a sig,))ilica)))b_,rri,,t t,>r.,,ti_)))_),:'li(t,, tr;_,)lSl,()rt. ['l_))c,:i](.ulati())t.', are c,..)inl,li('at('ed ])('cat_s(,, a('c:(>rdi)t,{ to ('Xl,('rin)(:'))taI ._lala (KIav,,tl,.r a)l(] [',,'_,_,r,-,I{)5.7

hydraulic c(m(luct,ivi'ty and st()ra)z.e capacity are strongly llc))llill( ;,tr varial,l_,s i))I)r-,]i,:)i)),).,.tllIS;'t( urat(',:.l-/c)r,' fh:)w.

M;_illy g,(:'Ol()g[C,R] forlllatiollS a,r(' sl_r,_,tt{t!i(?d,with ,:,aeh stra'tt_'n havi))g, i'(s (,w)l f'rac/ur_. _,n,_t ))_a(ri.',;

properties. Thus; TOSPA.(: wa,s required (o (,_el:lll(,t,r(,l)rrti,_s for a)ld ,:'(_ll_l)t_l<,r.sul(.,s f'c,)"),.)_h [.i. r_:.'kmatrix _nd the [ira.<'t_r_::s in t_ml_.it)],._,media.

6 (HIAt:'TEI{ I. INTt_OD(:C'I'ION

TOSPAC

• SITESCALE• UNSATURATEDZONE• FRACTUREDMEDIA• STRATIFIEDMEDIA• STEADYSTATEor

TRANSIENTFLOW• GW'lT by

. PARTICLETRACKING• TRACERTRANSPORT

• DECAYINGCONTAMINANTS• SOURCEAT BOUNDARY

"-'"_ or INTERIOR

'---. • CHANGEABLEBOUNDARYCONDITIONS

• SOURCETLRMS• SOLUBILITY-DOMINATED

CONGRUENTLEACH- PARAMETERIZED(SAND91-0155)- FILE

I'_igu rc 1.:]' 'I'0% PA( ', capabilit, ies.

lnit, ially, 'I'(),qi)AC ,,va,s designed t.o ,solve only t.ram;ient..-flc,v,' problelm._s (with the DYNAMI( 'S vl_o,.lule).

(;iven an arbilrary illit, ial condition, I)YNAMI(;S wa.s to ('alculal.e it,teri.lal rela.xat, io_l,,_tc, t,l,e :_vst,'_IJ ;l.s

well ;-),.'st,he iilflt.lence of l-,rt.tlrbat.iorts itr prcs,_ltt-e head or llu× at, t.he boumlaries. (Sl,eady-stale tlow

cc>uld t)e calculal,ed by left.ing ar(,raIlsit,n(, prol)lem rutl unt, il t,here is n,:)Iorlger tt:ly change.)

I)YN:kMI(?,q ',va,s also d¢_sigtled to hatldlc changeal)h,, t)ou,ldary colidit.ic, Jl.s (e.g., (.he Cal)abilily 1o lllc,,,lelpluvial cycles, a ftuct, uatirJg wat.er tabh _, cfc.). [lowev(_r, because (,rat,,sit,ut.-Itow I)roblt, tzls are

coIllput.at.ic, nally expetlsive, an explicit, steady..state solve, r, S'I"t!:ADY, v,,;)..,.;addc, d (o 'I'O,ql'A('.

[_.egulatic)ns fc,r wa.ste-reposit,ory ll,:eli,,s:itlg, require grott)_dvcal,er-t.rav,:l..(.i),)(_ ((;W'["I") cst, i)l)at.es, a)td

TOSI)A(? v,,a,,,-;d(:'sigrled to allow two different. _)tct.h(:)ds for ))_aki,,g, t,l_(,,,.;ecalct)la(i<:)t)s: l,nrt, icl('-(.r;._,'king,n)e( hod ;-).)tda nonsc)rbi))g-t.racer-t.rax_sport, tn(:,thc)d.

The ))ature of higl_-level radioactive w_._st,(,diet.a ted that 'I'OSt).A( ' b(' al)l,' I.o hat,die co)flat)_i))a),t.s (,t)at.

decay Vurt.her, TOSPA(: was required t,o handle )_tul(il:)It, co))ta_fi)_;tt._t.s, includi_g cc)_t.at)_i_t.u_ts thaid,:.'cay in chai)_s of o(h('r contami)_a))l.s. The 'I'IIAN,q.' _Hodule of ']'()SPAC i)).q)]et_,.,t)(s B._t(')laa)t's

equat, ioi=s t(:>cor))l)ute radioactive decay, lt cat) keep track of a,s tnatty a#<5(} c()tdamil_ant.s.

l:3(.:,caus(,c,f rh(. uncert, ain(.y ir, volved in defining a source term (i.e,, t.he i)_flux of co))tami))attt.s) severalr:_aetl.)ods of modeling this t,err)) were incorporat,ed ir)t,c)TOSPAC. (:'c)l)(a))finant.s ca)). be iHt,roduced at. a

bot_ndary or at. an interr_a.l s<.:)urce. Relea.se of cc,))ta)nir)ar)t,s I'rotn an it)t.er))al s,:)_tr(,e c;tt_ l.)e defined b?)'solubilit,y-dominat,ed or congrt]ent,-leact'_ st::)t_rc(:t,erms, or by data from a))e×t,erl)al i))put file. ['_.ele;.t:.;(:;)f

cont.an:)ir_ant,s at.. the bout_dary (both into and out, of the problem ra)age) t)):-,h, it. )_ec(,ssf_ry for t.h(.TRANS ntodule of TOSI?Af" to l'),ave changeable boundary condi(,iou_, similar to (.hos," i), theDYN A MICS module.

1.6. LIMITATIONS' ANl_) ASSI:Mt_'I'IONS 7

Fractured rock cavil influence conl, aminan/, transport., i)rit_mrily through ft t)roccss knc, wxl as _ml,rix

diffusion. TOSPAC, was designed with coupled fracture and matrix transport; i.e., t,h_'Cal.abilit,y I,oca,lculat,e cont, anlillanl, concentrations in the llmt, rix and the ['ra.ct,ur(,s and r_lovetl_ent, of conl,all:izlantsbet,ween them.

Adsorpt, ion of contaminants onto rock surfac(_s could signili<'allt, ly rrtard the t,ra.sl,orl, of <'oIItaIlliIla_ltS.'IT'hus, TOSt:'AC was designed to account, f'or t,he adsorpt, ion and prt_cil)itat, ion of coiltanlinalli,s.

Finally, to handle (litI',._r(.'llt, ille.thods of interpret, ing conl,a.llfilJanl, reh'a,se ((ti(:l,al,(_(I t)y r(:,gulati()ll),

TC)SPA(:, was designed t,o keep t,ra.ck of both the alllOIlllt, of (:a.('[l collt,a.ulinant, (hal, crossl's l)roblel,l

boun(tarie_s, and t,hc alnount, t,hat is outside prol_lc_'nl t:,o_lndarics at, a givezl t,ill,_.

1.6 Limitations and Assumptions

'I'OSPA(: does not, simulate ev(:ryt, hing. In the interest, of efl]ciency, but also because soil. =,l);Lsi('physi(,s in hy(lrology a.ll(l cont.aminam, t.ranst)ort is not well underst, o(.',d, 'I'()SI)A(: incorl)()ra.tes

) ",1,siml.-,lify_.¢,t_ a.ssu_nl)tions. TOSt AC s limitat,ions and _u,-;sun_l:,l,ions ar_ su_mmriz_,d i_ Figure 1.4

TOSPAC

, 1-DVERTICALONLY• UNSATURATEDFLOWONLY• COMPOSffE-POROSI'I"YMODEL• SIMPI.IFICATIONS

• NOTEMPERATUREEFFECTS"'-, - NOHYSTERICEFFECTS

- TRANSPORTONLY WITH

STEADY-STATEFLOW

• ONLYWATER-SOLUBLECONTAMINANTS

• NOTWO-PHASEFLOWWATERTABLE SIMPLIFIEDADSORPTION

- SIMPLIFIEDDISPERSION

Figure 1.,1: T()SPAC lindl.ations,

The con_posite-porosity model used by T()SPAC is based ¢)_ the assuI_l._l ion t.]lal. 1.11opr,,ssurc I.,ads in

the matrix an¢l the fracture.:s are equal. This conditio_ is not, valid f'c_rali l,ra_sient tl(,w c,:,l_titiolls;

howew?r ii. couhJ be valid fi)r many probJe_ns. Volume I discusses of ftu, conditions ,,_der whict._ Ibis

model is accept.at,le.

Only one-dimensional problems can be solved by TOSPA(;. Because groundwater flow t.ak,,s plac_' iii

t,hree spatial dimensions, the rest.riction to one di_mnsion ('an be a severe limit, ation. Analyses

involving flow in anisot, ropic materials and flow in tilt.ing si, rata with cliffering conducl ivities are

8 (;ItAPTt_I_ 1, INTt_.()I)I:(IVI'I()N

especially l)resulnptuous iii one dimension, tIow(..ver, Illa,ny problelns (:_m be reduced to on(, dinle1_sion,

,uld calculations in one dinlellsion have inq)ortant adwmtages. First, one-dimensioned calculations are

computationally much sin_l)ler ;._lld less expensive. Second, checking the a.ccuracy of a one-(tirnensional

calculat, ion is relatively easy (a point thai, should nel, be underestinmted), CalculatiOlJS of ste.ady-st, at,eflow c;ul be che(:ked by ('onq),tring calculated flux aga,inst imposed ttux. (:atculations of transient flow

carl be checked by co_nparing the c.'-dcula.ted tinm for water storage l,o change when flux is changed willl_-tsi till)le al)proxima, tioll. Sinlilarily, om>diniensional ('o11{,anlinant transport can be checked _gainst

an(dyl,ic _.tpproxirlmi, k)lts of v_rious l,crms in the Imsic equ_(,ions: ai|reel, ion, dispersion, deca.y, et,c.

Only vertical ftow is sirimlated by t,his version of TOSPAC. Arl)itrary Itow.-tube w_rsions of th_,hydrology modules of 'IT'OSPAC, have been pr()grammed; however, they have not been a(iequat,ely test_-.d

emd are ro)l, included iri this release. Also, t,he hydrology ill()dules of'rOSPAC (S'['EA I)Y andI)YNAMIC, S) only calcula.te tlow ira t,he unsaturated zone. 'rRANS can handle sal, lirated-zol.,

transport, but only as a. sel);tr_l,e probl(_nl with user-sul)plied w_Lter velocities,

"I'OSPA(; does not incorporate temperature effects. TOSI)A(] does not h;mdh_ two-ph;-tsc flow (e.g,, novapor-liqu:d l)roblems, no oil-wa'(,er problems), And 'I'OSPA(', cannot sillmlat,e hyster('sis ett'ects iii the

sa.turat, ion _md Ily(tra, uli,,:-col_ductivity characteristic curves of l,he nm.l,rix or the fra.ctur,_s.

('(.-,._tan_inant l,rmlsporl, is only simulated with steady-,(;t,ate tlow fields: i.e., for unsatural,(,(t-.zon(;

calculal, ions, oi_ly the s'rEAI)Y mod_lle of TOSPA(_ c:_m br used wi_h t,h(_ 'I"I_.,ANS rtt()dtt[e, '['OSi)A( '

only accounts for I,ra.l_Sl)orI, of w_mer-solubl(r _na,l,(.'rials (i,(_,,)_(:)c:olloida.l transt)ort ). And, .l(hough'I'OSPA(', lr, odels adsorption, ii, uses only a. simple distribution--coelt:ici(.nt al)proxim;tl,ion.

l)espite t,h(' li_nitations _tn(l simt;lifyi_g assur_l)tions bt_ilt i_lto 'rosI'A(', t)rol)h,t_s that fully ul,ilize ali

of T()SI'A(I!'s capabilities require a la,rge alnourll, of input (]atgt fron_ st)(,c',alized di:.:il>lin('s. 'I'(.)SI'A(:

r_,sull,s ('a_ only be a,s good as l,he input, data, and in c(,rlaiu c(_ses Shin li variat, i()ns in t,h(, input, (]_t,a

can cause large w_rial, ions in l,he results (an effe(:l, called se_tsitivity 1o lh,, i_tl)ut, da,t,a),

1.7 Applications

Th." S_I'I';AI)Y and D YNAMI(I:S t_o(tules of TOSPA(', prec('ded t,he 'I'H,ANS _.)(lulc. 'I.O (late,

'FOSt)A( ', has t)rinmrily bee, used as a tesi, be(l for cvaluat,ing i(t<_s ab(mt v,'at(,r tlow in tuff, and _.t,san

_tid iii ("V;tlll;i,til'lg 1ho i_:rportance of w_rious scenarios i_v(.)lvi_lg water |low _,hat (,ould have ;.t_ ir_l)a(,t Oll1,hi' perf'orn_anc( _ ot' a l)otentia.l rel)ository. F,,:)rinstance, 'I'()S[)A(: was used to (h:l,(,rn_i_e wl_ether th(_re

is _. dift'(:r(,nv:e bel,weelr calculating groumiwal,er tr;_vel theirs t)y _lsing _n "_verage f_tsl,esl, t)arlicle" asopposed to a nonsorbing l,racer (artswer: a signifiCa.l_t ditrerence exists if there is fra(:t,_re flow and

a pl)r,_ciahh. , ma._,rix/fracture coupling).

Several ap, alyses using TOSPAC, |'or the YMP are sun,mar|zed iu a ('olr_pen(liu_ by Peters (198_,), ;rod

il_clu(te the following:

• An ai_alysis of the feasibility of conducting a l)r()l)OSCd tield experiment involving flow in t,_tf, tode,ter_nine if the experin..mt could be perforn_ed in a r(msolmble iill-lOtlll|, of tittle.

• An analysis of the penetration depth of high-pressure drilling tluid into tuff, using s(:,vcraldifDrent hydrologic properties ('or the tutf.

• An estimate of the travel times of water particles influenced by ther_nal eife.cts of a repository,

1,7, APPLICATIONS 9

This analysis was an attempt Lo use hydrologic effects t,o define t,he roposil,ory dist;urbocI zolu:._.

• An aria.lysis of flooding down a generalized fault, zone,

• An invest, igat, ion of t,he t,ilne required fZ3rsat,urat, ion levels in t,he ullsaLurat,ed zotle l,o r¢da.x aft,er asigliificedlL fluct,ua,|,iOll in t,he water-_able height.

In an a.nMysis similar t,o t,he example problem discussed in Section 3.1, TONI'AC, was usod t,o nlodelLhc imbibition of water into a. drill core of nonwelded t,uff. TOS'?A(', resull,s wer,:' comp,_red wil,hexperiment.M result,s t,o del,ermine t,he sufficiency of the computer T_lodeland t,he input, dal,a. 'l'heresults are report, ed in an AIrlerican Geophysical Union molmgrapll paper (Peters ct al., 1987).

TOSPAC has been used in the analysis of time scales ilwolw:_d in flow t.hrougll partially s_d,ura.l,cd,

fract, ured t,uff. One analysis is reported in a. U niw_rsit,y of Arizona conference t;mper (l'ct,crs, 198(;). Asimilar analysis, examining the influence of percola, t,ion rat,c' on wa.t,c'rt,raw',l timos in der:p, pa,rt_iallysa.l,urat,ed sl,ra.ta, is report,ed by l'et,ers el, al. (1986),

TOSPAC', has been involved in two coml._ut,er.-l)rograan benchmarking efforts. 'l'he first eft'orr, was

k_lown a.s Code Verification 2A, or COVE 2A (G_mthicr el al., 1990), a.lld it, inw_lw?d sewera,l colnputerprcgra, ms that were being used by the YM P. 'i'he second cIR)rr, was a.n int,ernal, ional project known asthe ttydrologic Code lnt,ercotnparison Project, or IIYI)R.OC.OI N (Prindlc, 1987). 'I'OSI-'AC, was us_d tohelp define bot, h t,he COVE 2A problem set, and t,he [tYI.)I{OCOIN problems for l,hc unsaturat,ed zone.

More recently, sew!ra.l analyses using 'I'OSPAC related direct, ly t,o the l.mrl'orllmllcc assesslnc:,,, of apotential repository for high-level radioact, iw:_waste. TOSPA(J was one of the tlow and trallsport,models included irt a demonst, ral.ion of performance-assessmellt capabilities known as ['AC,Ii; 90(Barn ard and Dockery, 199l). 'I'OSF'AC wa,s used to ¢'stimal.e the mnounl, of water t,hat. could beapplied during surface const,ruct, ion a,ctivit, ies without, del,rizllental ett'ec.t,son a pot,enl,ial repository(l"cwell el, al,, 1992). And finally, a, w_rsion of TOSPAC, has been iHcorporat, ed in l,he 'lk)tal-Syst,elnAnalyzer ('FSA; Wilson ct al., 1991, and Wilson, 1992). 'l'ho. TSA uses tllo Monte Carlo I_lot,l,)d 1otake inl,o a.c('.OUlll,the uncertainty in present, _md I_ossible future condil, iolls experienced by a wast.<-'repository. TOSPAC, within the TSA, will be part of a series of tot,;d-sysl, eln por[brtnance a,nalysc.splanned for l,he pot,ent.ial high-hwel-radioact, iw>wasl,c, repository at, Yucca. Moulltain.

10 CIIA l:)'l'l_l_ 1, INTIf.()I)UCTION

Chapter 2

PRIMER

Thi:+ chap,.or i:jtrodu,::es 'I'OSPA('. tllr(:,llgh lt ._itnplo _:x;ulll,h' l)rol)lc'lll. 'l'h. t.)('p/iIllli_l4;us<,r ratJ

itllm_'diat,ely ,,+;t.a,rt this proldenl (or o=,,. of his or hor o'+v=l)without ,'-+t.l,<lyillgthr t.lJr I e.,.+l,of i Iii,,-+t ,_'r'_

(_uide. 'I'llis ('lia.t)t.('.r contains a ntllll})('r (ff cro.ss ret'er_,ll('e,,.i I.o (lhal,t.rr 4, a. grilt,ra.I r+'Pf,rriJre.

(.",ha.l)ter 3, rh0 c_+xaml_+l(.'`probl(_ltis, shotlld give l,hc tiser a [l(._i.(tst,a.rt ()u ,'-+c,l,,(,tyl,i(:al r<,+_l--lir,,iJrol Iri,is.

Iu this (:ha,pier we +t.sstilr.> tha.t the tj,ser is working oil a l)igita.l l(;tltiil,ill<,ilt, (..',(>rl,()r'ltic.l \",'\ X r,:..lil+tlt,<'rwith t,l.: VAX/VMS operating sy,,-;t<,ttl (I)I",(!, IgS_), all,ltotlgh ii' yot_ ar(, llsillg a (lifI'(.t'(+tlt ('(till[Jut,rg', d(,

rio[ worry. 'l"h_> difh+r('.ll(:es ar_++obviou.,.+ ;ui(t g(:.lierally illSi_llilirant,. I,'or iilst.;tliC(,, iii ()r(lt:r l,¢, r,lli

'I_OSt)A(7, (::,na. VAX, you tyl)e I_I./N 'l'0,_'I'/1(,', whih> ()ii a. I)at,+l, (+eiit>t'a.l y(.)t, t,.yt,_+1;'.",.'/','V'O,'-,'/".,I(:. +tl_,i

()ii nii II'lM l)( _,y<._tt tyl)c ']'O,",']><'l(7.

lit t.liis cha.l)t<_+r,ct tara.tiers displayed by tile (:olllput(,r or T()Si+A(_ will tj(+ i,l +tTYPEWRITER f(+tt(,, wllil¢'

('hara.('t(:,rs y(:m lia.v<!_typed will be. l!/'A LI('I_/+_D,

This chal)t,er i,'+:orgntlized by t,h(' st,eps you typi(:ally i++lk(>',vliell rulillitig 'l'()Sl>A('. 'l'lies(' ,_t.<,l,S;tr,,

sulnmariz<'+d iii l'igtiru 2.l.

2.1 Step One: Define: the Problem

For this prinler, a, sitnple prol)leu_ is coiistructed, a,s illustratc(l iii l:igurr 2.2. A lir;tilitllli lllill-l;_Jlill_s

pile is Ioca,t(,d Oil the ,,_rOUiltl surface iii a,ll arid region. ']'lit, lliill-i,a, ilitlg,s t,ile (:(:)V(_l'_I kill _ ,'-ill(I <,-:,itsOll

unt'ra,(:l,ure(l saii(tslxmo. 'Fho wa,l,er i,_bh-_i_ at _l delii, h oi' 11)()ill I i.(_., l,li(.' I_ol,l,c>lii (:)f l,lit,, liiill--l,ltiliiis!,_ liil<_

is ](JO iii _tbov(!, l.li(_ ,,vatx'r l+abl<_. I_Jecau,sel,he oilviroliiiielit, i,,-iarid, l,he ral,e ()t" Will,rr ililill, l';lli_.l is ,:,lily

nnlilYr. Flow is w_rti(:al. 'l'tio niill t,ailiugs eoni,a,iii _everal roiita.iniliants, bill, fbr l,lii,_ (,xa.iiit>l_, vv,, _>lily

(,onsider _:+"_U. flow long (toes ii. take l,lie '2:_817l.o rea.rh t,he wa.t,er table?

112 CIIA l."l'l,_tt. 2, iq_',lM/'Hl

9CONGRATULATEYOURSELFI

8RUNOUTPLOT

7RUNTRANS

EX RUN[ TWO ARE _ STEADY

THEBIG STEPS

TRANSDATA

4ENTERHYDRODATA

3RUNINDATA

2LOGON &RUNTOSPAC

li'igur(_ 2. I: _l,(1_s involved irl _ '1'()SPA( _,ca,l('.ul_d,io_l.IDEFINEPROBLEM

2.2 Step Two: Run TOSPAC

'hLrlI ()li your (,<:rlnina.l _-u_(llog onto your ('onlt)ut,(:r.

TOSPAC'. sho,ll(t hv in,_i,_!dl(:(lon your conlput(:r',s disk storage in ;m ;_re_ wh('rc yoll havea,ccess ......mayl)e your own area. if you do Jlol, know, a.sk s(>llleoJ)e. If i(, is iu your owll area., afi,(,r(,li('

sysi,em prompC (which is (,h(" '$' for I)EC, VAX) t,ype, .,

$ Ii. UN TOSI)A C:

If T()SPA(', is not installed ill your area., y(.)t_ will have to giw_ a pa(.I) n;ull(_ (,o r(:a.<'h i(,,

2,3, S'I"EP TIII?.Ii;E: RI]N 1NI)A'I'A 13

238U MILL-TAILINGSPILE

(1km2 AREA)

/_ GROUND'_" SURFACE

100m ofSANDSTONE

. :o_<,

l:igur¢_ :2.'2: ()w_rvi_w of file sillll)liiie<l lllill-t_dlillgs I_rc_l,h'lll.

2.3 Step Three: Run INDATA

"l'OSl>ACwilldist)lay almmuonthes<:rc_m, _s tbllows..,

TOSPAC VERSION I,I0 MAIN MENU

0 STOP

1 INDATA

2 STEADY

3 DYNAMICS

4 TRANS

5 OUTPLOT

ENTER CHOICE:

Choice 0 simply halt;s ¢_xeclltiou of TOSPA(J. W(_ will do t,his lal,er. 'l'hc' ol,tl(,r choice_; corr_sl_Olld l,o

'I'OSt)AC modules. A COml)h2t,e discussion of (,his Ul)t)(w lewd of'I'()Sl:)A(: is cont,a, imM in Secl,i()u 4.1.

We wa)d, (,o gel right, (,o work, so type (,he lmnlbcr I to s(qec(, (,he 'I'OSI)AC nlo(lllle (,]la(, ('ret_I,('s ali

ld (,"IIAI"I I,H;" 2, I_H.IMf':I_,

inlm.t-data Jilt --INI)A'I'A, You _'ml also creal,¢_ _ll iuput,-da_,a, file usiug your coull_uter'_,; I,¢,xt, ¢'¢litor

(S¢'cI,ion ,'1,7, 1),

'I'(),SI"A(',llow i,II'orl_Is)'Oill,lla.l,yc.)L_m'_:'iHIno_luleIN I)A'I'A_II<Iasks ii"you wmII,I,oeIll,_,rllycll'ol<.,gy

_lai,n,or I.raI_,,.,,p_,rl,d_.ii,a....

TOSPAC MODULE INDATA

INDATA MAIN MENU

0 STOP

1 CREATE STEADY INPUT-DATA FILE

2 CREATE DYNAMICS INPUT-DATA FILE

3 CREATE TRANS INPUT-DATA FILE

4 MODIFY STEADY INPUT-DATA FILE

5 MODIFY DYNAMICS INPUT-DATA FILE

6 MODIFY TRANS INPUT-DATA FILE

ENTER CHOICE:

INI)A'I"Acn.n<'r¢'al,eoy lllo¢:lil'yboth ILydrologyilIpul,filesaJldl,rCulsporl,inpul,fih_s.II'you walil,I,o

c._'eaU,a.si,cmly-si,_-iI,e iiipul.-dai,_tIih:(toldyoudo)l,h¢_I_enI,¢:rn.I,

'.I'llrougI_oul,'IT)SI'A(',,_,_l,erii_go_ly _-_.<C/t> _,lwaysseh-:cl.sI,h_:d_q'n.uIl,a_s',',,_:r.'I'he_lelh.uIl,I._,a.

:!y.'.,s'/n_,qt_esl,io_isa,I',v_.ysIV().'l.'lw_h"l'mllI,a.i_swerI,oa do-,someth.i_fl/do-n.oth.i_./lquc.si,ic,n isalways

do-nolh.itL(l.'I'lwdefault,i.o_.m.c,.'uch.oiceis_-LIw_,ys$7'01" (_-dI,I_ougI_fora __w_luyou ha.w:I,oenl,er

<CI_.>i,hr_,_i,itt_esb_4'ore,tll_'sl,oI)isa.c.l,iv_._i,ed',I,I_isi'el)el,il,ionprol,ecl,s_-iga.it_,,-;I,_ilisl,_.k_:s).An_l if'tlwve

i;s_.li,s':oi'I_ossihleresi_o._ses(set,offwil,Iii_.u'eliI,I_eses),l,ltedefa.uIl,ai_sw_,risI,he fir,sl,item.oi'I.helist,.

Now 'I'OSI:'AC,w_ml,sI,ok_iowl,ltetla._oi'l,h_:_la.I,,_.fih:il,willbe cr_',_,i,i_hg..,

ENTER STEADY INPUT-DATA FILE (DEFAULT=STEADY.DAT):

'I'OSI'A(Iasks for_.lih_na_(, so l,l_a.l,ii,('.a.I_r_.f'('rI,ol,hisdm,_,file,lal.(!rand s,:.:_l,i_m,you ('.alil_av(:a ('.ol)y

of ii,iv_yo_r _:u'ea.aft,ct l,hisrun isfivlish(_d.Ifyou enl,ert,h(.,i_m_woi";_IIc,xisl,it_gtil(:he.re,you willg_'l,_u_

_.ri'orHwssage m._dl,heI'_ro_ii._i,',rillrea.I_I_ear.

I_,_<:_is_yot_do not haw, a.nii_I)Ul,IileI,or_odiI'y,_md you reallydo nol,I_aw:m_ ich:_,ofa good iiipul,fih_

i_m_e,.iu,sl,s_...lecl,l,h_:defm_II,I)ye.nl,ering_.<CR,>. A_d 'I'()SI'ACrespoHds wiI.I_,..

CREATING STEADY.DAT,,.

" i r-lh i _li .... " ......... ]1

2,4, STEP F()UR: EN'I'I_R IfYDt_OI, O(;Y DATA 15

2.4 Step Four" Enter Hydrology Data

Now w('.arc re_tdy t,o begin the only difficult past, of'I'()SI)AC, -.- 1,1.; illl)Ul, (lltl,a. Aci,ually, enl,_rillg l,hedal,a is not, so difficult, t)llt, b_,owi_,gthe data is dillicull,. Mode,li.g unsal,ural,ed flow and collt,alIlillanl,transport, requires a, large nulnl)(;r of i)a,ramel,(_rs t,ha,l, are nol, readily a,wdlahle, '1'o e_ts,' t,1_('l)r(:,cess ot'eni,(;rillg tlm input (lat,_t,'['OSPAC has I)eell e(.luit)pt_dwi|,h clel'aull, wdut',s wherever t)ossil)l('. 'l'llissiml,lified ex;unple uses litany of (,hes(.'det'a,ults. A conlt)h;l,(',discussion o1'the illt)ul. (lal,a l,lla.I,_:u'e[equired is given in S(-;cl,ion 4,2,

l{(.'.t,u.rllyour a.l,l,(,nl,ion I,o l;he l,(-.'.rmina.l.INI)ATA b(.'.gills t,()r(;(luesl, int'orllmt, ion,.,

TITLE BLOCK

We will wahl. _t t)roble.ln l,itle. ']'he l,it,h; will al)l)ear on your r('.sull,s so l,llal, you (:_tlldistinguish l,helllsew;ral years from now, So t,hink up solnet, hing (,liar cat,ches the ,..igllifica,ilce of I,his ('alculal, i()ll- .;ul_lthat only uses a single, lilm (80 chara.cl,ers),, ,

DEFAULT TITLE: NONE

ENTER PROBLEMTITLE: ,':,'implificd Mill-7"ailiT_,gsl'r'oblcm,

IN I)A'I'A now Mlows w_rious int'orma,tion to be placed a,fl,cr t,he t,ith,...

DEFAULT NOTE: NONE

ENTER NOTES (ENTER A PERIOD (.)IN THE IST COLUMN TO STOP NOTES

OR ENTER "DEFAULT" IF YOU WANT THE DEFAULT)...

We (to not, rea,lly have any nol,(;s 1,o piace h(.:re, l:tut, ii' w(',(lid, you coul(t type, ixl wha,l,(we.ryou wa_lla'd(Section 4.2.5). For I_ow, ,_kip it..I)'mter a,l)(:riod in the firsl, colunln of ,'.mol,twrwis(; hlank lira; a_tTOSPAC, will I)roceed. (Nol,(' thai, entering a <(,'f_,>will not select l,he (tefimlt a,:_sw(_rfor tlm _ol,rsl)rompt ......ii, will enl,cr _t I)hmk line i.l,o the not(',ssecl.io_. 'ro ew,ry rule l,tw.r(;is a,_(',x('(,l)l,ion....)

Cont,in_ing, TOSPAC asks tbr w!Lriousconsl,a,nts (S(.',ct,ion d.2.6). ()l_(; reason 'IY)SI)A(', needsinformation at)out const,ant,s is I)ecaus(: ii, is unil, in(tepend(:_l,, lt is up I,o you I,o t.)e(.'.()nsisl,(:nl,wil,l_your Ul_il,s!TOSI'AC, default wdues are ali in ,5'y.st,e;mr h_lcrn,alio.,al or 5'l units, lVlost pl_ysical(:onsl,anl,s (e.g., gravil,y) at(', iml)li('it in l,he equal,ions I,hat 'I'OSt'A(I solves. Viscosil,y of l,lw fluid isimplicit in the chara, cteristic curves ot' the flow media. __

CONSTANTS BLOCK

ENTER DENSITY OF WATER (DEFAULT=lO00.Ag/m**3):

if you want l,he default- ....and we do.......jusl; ent,er a <C/l>. '.l'he (lensil,y of water is _sed 1,o('.a,lcula.t,(,1.t._weighl, of wa,l,er in l,he problen_.

A furl,her not(.; al)out, unit,_: yo_ c;m enter units aft(ct a, wdue, but 'I'OSPAC, only l,rea.l,s tlm units a.s a.special type of comment, Unil,s mu.sl be separated |'roan tlm dat_ wdue t)y a single space ()r a singleta.b. l{enmmber, 'I'OSPAC does not un(le,rsi,and t,he,unil,s! 13(.',(.',onsisl,etfl,wil,h tlm units of the (ta,l,_-_wdues. Do 'aol mix units.

INDATA continues prompting...

16 CHAP'I'EI(, '2, Pt¢,IMI'JI¢

ENTEK COMPRESSIBILTY OF WATER (DEFAULT-4.3E-6 /m):

Agtdn we wan(, (,he defa.ult, sr.) en(,cr a <C.lf,>, Section 4,2.(i contains a discussion (:)f this c.onst, a.nt,,

ENTER CROSS-SECTIONM.., AREA OF THE COLUMN (DEFAULT=I. m**2): l,.t:'-t-b' m*"_,",]

'['he cross-sect, tonal area is a const, ant because '['OSI'AC tu'('sent, ly calculates (rely ,_)n(:-dilnension_d

w_rtieal flow. In hydrologic ('.alculat, ions the cross-s_ctional ar(;a is only us(:(t t,o ca, lculat(_ change o{'wai, er nla.ss. The defa.ul(, is a unit, area,, but, let,'s Inak(? ii, tll_ size of the lllill-tailiIlgs t)ih?: I kin"', or in

,C,'Iunit,s, 1,000,()00 tn u,

ENTER "fIMESTEPuCONTROL FACTOR (DEFAULT=0.1) :

Th(_ t,im(_st,cp-cotlt, r,:)l fa,ct,or is a n!lrnl)(_r l,ha.t llJultil)lies t,tl<; titllesI,(:'l:)cMculat,ed by 'I'()SI"A(', so t,llal,

you (:ali have some cont;rol ov(.'.r ii,, St,eady-st, a,l,(-_calculal, iolls de nel, involve I,iI_l(: a lid l,llis wdl..' is

ignored by STEAl)Y,

ENTER IMPLICITNESS FACTOR (DEFAULT=O.5):

Implicit, hess (usually denoted by g2) is the ter_n used I,o spt_cify wh(_ll, within a given l,i_nestet), t,llc_cqua, t,ion va.ria.hies are I,o be calculat, c(t. Tilts value is also ignored by S_I'EA1)Y.

An iml',ort, allt cat)abilit,y o[' TOSPAC is ('.alcula.l, ing groutldwat, er t,ravc_l t,iIlms ((IW'H's). ()m_ xx_(_t,l_od

that, 'I'OSPAC uses for i,l_is calculal, ion is I,o t,rack a wa,er l_arl, i(:l(?a,s ii, r_ow_s l,hrough /,ht: l:)roblcI_

donxain. (Sections 3,1,3.2, 4.2,6, and 4,6.3.4 contain t'urt, l._'.r (tiscussio_ls of GW'I"I' calculations.) 1'o

access this calculation, yell specify tlm st,art, i.g a_l(l (.;_(ti.g locations of i,h(_ i)art, iclc.

ENTER GWTT START POSITION (DEFAULT=TOP):

ENTER GWTT END POSITION (DEFAULT=BOTTOM):

Th(; default, entries tell 'I'OSI:'AC t,o (:alculat,(:_ (IW'I"I' t'ro,_ tl._ top of {,he ('.olum. t.) t,h(; t)()I,I,o_, !t' yo_l

do not want _,his calculation (whict_ is very ,..[ticim_t in STF, Al)Y, but rathc, r t,i,_(, cons_ing i.

I')YNAMIC, S), you should enter the word NONE,

"l'he la,st,prompt in t;he ('onst, a.l,s block ('onc(.rns rest, art, ing a I)YNAMICS ca, lculal, ion (Sc('l,io_ d..l), ltis not, used by STIi'A I)Y, a_(.t ii, is offered hc'r(_ wit, hour, discussion,

ENTER TIME SNAPSHOT FOR RESTART (DEFAULT--O):

'I'OSPACI now begins a definit, ion of t,he strat, igral)hy (Secl,ion 4,2,7),

C',otmnent, s will be fewer now; the discussion will (:,ouct'ntrat, e on wha, l, IN I)ATA t)ronlpl,s iu TYPEWRITER

TYPE, and what you respond in 17-71LIC, IZI'.'D 7'YPE, Notice that, ao vi,dble r(:;t)onse. _te.ans that tlm

det'a, ult has been selected by enteri_g only a <CTX>. We have consl, ruct, ed this exa, H_l)h: l)rol)len_ so that

t,h(> d(?faull,s arc used as often as l)ossible,

GEOLOGIC-UNIT BLOCK

ENTER # OF GEOLOGIC UNITS (DEFAULT=I):

UNIT # i

UNIT # I DEFAULT NAME: NONE

2.,t, STEP FOUR: ENTER H_'Dt_OLO(;Y DATA 17

E_TER, UHIT # 1 NAME: Sa'ndstoric

'FOSPAC, asks for na,me_ for geologic uni._,s, materials, and ('ontanlirlant,s. As with the [,roble]li t,it,le,

you can enter an arbitrary charact,er string tlp t,o 80 characters in lmlgt.h.

EI(TER LO_'ER ELEVATION (DEF_ULT=O. m):

ENTER UPPER ELEVATIOI_ (DI_,FAUL'r=Io0.m):

ENTER .RATRIX-MATERIAL II_DEX (DEFAULT=I):

'I'OS}'A(.I', is asking for t,he posit,ion of the rnatrix mat,erial irl the list, of rnat,erial properties

(Section ,i.2.8). You will ent,,r mat,erial-propert.y data in a minute.

EI_T'EKFKAC'TURE-_IATEKIAL I}IDEX (DEFAULT=I):

EI(T'EKFRACTURE POROSITY (DEFAULT=O.) :

There are t.wo different, ways t,o indicat,e no fracturer_. If the fracture-rztat.crial index is the satin., a.s rh('

rnat rix-tnat.erial index, thell the fra.ct.ures and the matrix have the salne hydrologic propcrth,s, aud theresult..,_ would be the same as if t.here were no f',:act,ures. If' the fracture porosity is zer(,, the fracture

by(trologic .prop,,rti,,,s do not, ,::ontxibut_(-, t,o the calculation. For cfficioncy, it, is bvt.t.er tc)set the fracture

p,3ro..,,ity t.o ,,,ero; for understanding,. Jt. is bett,(,r to (to both. The default, values h)r the [racture..tnat,,ria!

in,J-× and the f'ract.ure porosity specif,',' _to fractures.

EHTER BULK ROCK COMPRESSIBILITY (DEFAULT=O. /m):

EI(TE.}%FRACTURE COMPRESSIBILITY (DEFAULT=O, /m):

'H,' default values iml)ly t.llat, the bulk rock (i.e., tho c(_tlfl.:>inat.ion ()f mat ri× an,t fractures) and tile

fractur,_s ,.to _r_"_t C¢.:'I'_'_;]_r aSS. _1"(_)S I' '_ (]' orlly uses ('olnpl,__sit)ilit.i(_s in t,he watcr-storago t('rJiJ ()rft'}t(_transient,- tlow equation, not iri a st eady.-sl ate solut.iotl.

FIA'_ERI AI,'-_r'ROPERTY BLOCK

E)_TER # OF _ATERIAL$ (DEFAULT=I):

MATERIAL # 1

M,ATERIAL # 1 DEFAULT I{AME: _OHE

EI_TER MATERIAL # 1 ITAME: ,_,'aT_a'.s'!on.,r(van (.;,:nuc/_!(:'t_, I9,_0)EI_TER POROSITY (DEFAULT=I.) : 0.25

CHARACTERISTIC-CURVE FLAGS ARE,,,1, VA}( GEI(UCIJ.TEI(

2, V._[ GEI_UCHTEI( TABLE LOOKUP

3, SATUR_TIO_ DAT&'TABLE

4, DAT_"TABI,E

5, COMBII_ATIOH

E_TER CHARAC'TERISTXC-CURVE FLAG (DEFAULT=I) :

"['l]e charact.eristic curves are t]l¢, f'l.lllCtiOli.,:;of sat.uration versus l)ressur(, hea.d al)d }/.y,lraulic¢on,.'lt{ct=ivity versus pr,:.,:ssute head that describe how the n,at,eria{ behave: in a [,arlially saturat(,d

sta_t,e. The chara.ct.eristic-curve flag lets INI3ATA know how these curves will be specified and whatdata, t,o expe,:t. The default, is the van (;enuch:,cn specification (van Gertltcitt,en. ].gb_0). 'lhe methods (,f

specifying c]']aract.eristic curves are discussed in S,ectio_t 4.2.8. Aft,er you select, the default, T'OSPA("

prornpt,s fbr _,he five paramet,ers that. are used by t.h(' van Genucht,en rno(b:,l t.o define the characteristi.,:'Cl.l F'_'eS :

18 CttAI'TEt_ 2. PI{IMER.

ENTER TOTAL SATURATION (DEFAULT=I.):

ENTER RESIDUAL SATURATION (DEFAULT=O.0395): 0.612

ENTER ALPHA (DEFAULT=I. 2851 /m) : O.79/mENTER BETA (DEFAULT=4.23) : 10....;

ENTER SATURATED HYDRAULIC CONDUCTIVITY (DEFAULT=4.4E-8 m/s): I.i',5]¢-,5 m/,_

The def'ault Inaterial specification is a typical sand taken from Freeze and ('berry (197[)) We do Ilofwa.t, a column of sand, we want. sands[omr, so we have _ntered the various values t_3r a sandsUme

specified by van (;enuchtet_. (I!)8(I).

We have also entered the units, ttell,'mb,,:'r, they are only a note to the utmr; 'I'(),ql'A(ii'. ,:'anllotunderstand them]

'[(.)SPA(; requires a calculational tnesh to solve Darcy's Lav,, (or [tichards' Equation itr DYNAM.tC.S,or tile advectiora-ttispersic, n equat.ion in 'I'.RANS). The next. block of input data concerns t.l,econst.ruction of this mesh:

_IESH BLOCK

AUTORATIC MESH GENERATOR (N OR Y):

Again, th,,: default answer for a yes/no question is always 1to. so entering a ( ( _ 0' LI{ > tells 'l'OSlb't(_ not. to

rUt] the autonlatic _m:+.'shgetlerator, (I)on't. try to use the atltotuatic mesll generator before you reactSect ion ,1,:2.9. )

So we have to const.ruct the calculational mesh by hand. Actually, it, is not. so ditfic_llt ....

ENTER TOTAL # OI;' CELLS (DEFAULT=200): 500

ENTER # OF SUBMESHES (DEFAULT=_):

SUBMESH # i

E}{TER LOWER ELEVATION (DEFAULT=O, m):

ENTER UPPER ELEVATION (DEFAULT-lO0. m):

ENTER # OF CELLS FOR THIS SUBHESH (DEFAULT=500):

We ha,,,[, ju:i,t, created a uniff:rtl_ lnesh of 500 cells, whicl_ corresponds t.o 501 mesll points. (We tried torun this problem with the dehtu'lt 200 o'lls but, for accuracy, we needed more ,:,'lls near rh,., t,ot,tonlboundary.)

Now 'I'OSPA(' want,s to know the boutldary conditions:

BOUNDARY-CONDITION BLOCK

E_ITER # OF TIME SNAPSHOTS (DEFAULT=I):

[)es, pit,, die fact that wt, are creating arl input-data file for STEAI)'_', TOSPA(' st.iii requests titne

inform;t,_.iorl. The int)ut,-data files for hydrol,:,gy calculatiolts are organiz'etl so that they Call he read t_y

either STEADY or DYNAMK;S. STEADY or,ly reads one %irne sllapshot," (if more are preseltt, they_r_ ignc, red) and it ignores the time.

ln another concession t.o input.-dat a-file st audardization, TOS PAC asks for additic, nal tilne-related

information. TOSPA(" allows conw_rsion of t,i_ne unit.s into more manageable numbers...

, 4, ,,',r, , ',, ..... "v'"'lR,'l'mll"" ' ' " ..... "....... _"'""'m........... _"'_"rl'I'"'II'" II'I''P'"r''l' ""I111_'"11' " "

'2,,t. S T E P FOt lR: E N T E R tt )'I) R 0 L0 (; "_"I)A TA 1!)

TIME CONVERSION MENU

0 NO CONVERSION

I NO CONVERSION (SECONDS ASSUMED)

2 CONVERT HOURS TO SECONDS

3 CONVERT DAYS TO SECONDS

4 CONVERT YEARS TO SECONDS

5 NO CONVERSION (YEARS ASSUMED)

6. CONVERT SECONDS TO YEARS

7. CONVERT HOURS TO YEARS

8, CONVERT DAYS TO YEARS

ENTER CHOICE (DEFAULT=I):

We ent.er_*d a choice, of 1, meaning that our t.i_,a_ units are in seconds c,.,erywher,_'. Actually, S'FF, AI)Y

iglmres t,}-,i,-,entry, but. ii is iniportant, to I)YNAMIC'S (Section ,.1.2.10) and 'I"R,ANS (Stet_ Five below,an d Sec tion 4..2.17).

FiIlally, TOSPA(.'. begins to ask for the actual boumtary conditions (fbr each t.illle snapshot )...

,'3NAPSHOT # 1

ENTER TIME (DEFAULT=O. s):

BOUNDARY-CONDITION FLAGS ARE 2 DIGITS (LOWER/UPPER)..,

O, USE PREVIOUS BOUNDARY CONDITION

I. PRESSURE-HFAD BOUNDARY

2. FLUX BOUNDARY

3. POND-DRAIN BOUNDARY (UPPER ONLY)

ENTER BOUNDARY-CONDITION FLAG (DEFAULT=t2):

ENTER LOWER-BOUNDARY PRESSURE HEAD (DEFAULT=O. m):

ENTER UPPER-BOUNDARY FLUX (DEFAULT=O, m/s) : --1.,_,_,51:;-I0 m/sENTER MAX POND HEIGHT (DEFAULT=O. m):

Th,!' boundary.-('ondition flag,, a,s shown, allows us to specify t.,hc l_rcsmir(,-}teml or flux ,:',:)n,.litions at

either the _lpp('r or lov,'er I_oundary. Act.ually, for a st('ady-st.ate calculation, only boundary..('otl(liti(._liflag 12 (a l_,ressure-head lov,'¢'r-boundary colldit.iot_ and a flux Ul,lwr-bollndary ,:'_mditi,m)is al l<,w,,d

(Section 4.2.10). Not.ice t,hat the d_'fault, is t.o specify zero meters of pr_',,,;sur_:' twad (i.,_., lh,' ',,,'atcr

t,abh,) at. t h,, lo,,w.'r boundary with zero tlux (i.e., no flov,,) going, into t.}'_' upt,¢'r boundary'. For a

st,_ady-state probl,:,m this default, pr,:_duccs a hydrostatic condition. 'l'll_:._maxiltm_ll l_,nd h,'ight is usc'dI:,y DYN AM ICS awl ignored by STEAI)Y.

We do not want. a hydrostal.ic condit.iotl: we want, 5 rtml/5'r or 1.585 x 10 -11_ 111/S. 'l'h_ ' flux is ,,nl.,._rcdas a negative nun.d_er to indicate t.hat t.he flow is dov,._,;';'ard.

For a steady-state probhml there is on,-, more dat.a block...

FILE BLOCK

STEADY SOLUTION FILE DEFAULT NAME: STEADY.PSI

ENTER STEADY SOLUTION FILE NAME:

PLOT-DATA FILE DEFAULT NAME: STEADY. PLT

ERTER PLOT-DATA FILE NAME:

OUTPUT-LISTInG FILE DEFAULT NAME: STEADY.LIS

ENTER OUTPUT-LISTING FILE _AME:

"20 ()ItAP'I'EIt 2. I)tHMER

ENTER OUTPUT-LISTING CONTROL (DEFAULT=:t):

'.f'he file, block tells 'F()SPA(: t,he out, put files you want, created (Section 4,7), The S'TEA DY sol'ul'_on.

.file contains the steady-state pressure-head soluticm in a form that can be used by the I)YNAMI('S

nlodule _.,.,sali ilfitial condition. The plot-data .filc collt,_dns i.fornm.t, ion .ceded by both the OU'I'PL(YFmodule, in order to const.ruct, p]of,s, and the TRANS lnodule in order to define the nlesh and the

hydrologic background of a l,roblem. 'l"tle o'utput-hstlT_.:! file contains l.,roblem results in a fori_mt that

you can read. Note that the ext.eusiolls PSi, PI.,T, and ;_,IS stand ibr pressure head (_ ......not. pounds perS¢luare inch), plot., and list, iilg, respectively.

The out,put-listitlg coni, rol allows you to specify t,lle nmubcr of rlu'sh-poiiit wdues you want, wrilte,t out,;

control i,unlt:,er 1 rm, alts you want, ali the values (Sect, ion .1.2.11).

If yol, do nor wani. a file creat,ed, ¢qlter the word NOA:E (in upper or lower cas(,). 'l'h¢. d_,fa.ull, is I,ocreate .:til the files. If a file name is entered, a. fih; with t,hal, naitie will be created.

'I'(),qPAC rio,,',, st.at,t_s l,hal, ii. is finished creatitlg a S'I_EAI)Y iIlput.-.dat.a fib:,...

STEADY INPUT"DATA FILE ST_,'ADY.DATCREATED.

DO YOU brANT TO HAVE STEADY.DAT CHECKED FOR ERRORS (N OR Y): ,q

And a t"ler a illolilcnt ....

READING INPUT-DATA FILE STEADY.DAT.

STEADY.DAT CONTAINS NO OBVIOUS ERRORS.

If tilt,rc., tla,J t:_:¢,u _'rrors in S'I't';AI)Y.I)AT, ih%, would ha','_, t,<,¢,iJ listed. T()St'A(' allows you to

llioctify input.-,lat.a, files (S,_ctioli .1.2.3). You cai_ also Iliodif}' this tid wilt_ your lext. editor.

'['()SI'A(': cloy,' asks a f'c,w ill,::_reOl,-,ratiollal _t_p,sl.ions...

DO YOU WANT TO VIE_ STEADY.DAT (N OR Y):

DO YOU WANT TO MODIFY STEADY.DAT (N OR Y):

Alid vl'e ar<, r'c,lliriied 1.o ltle 'I'()SI>A( ' iliaiil lllOllU...

TOSPAC VERSION l.iO MilliMENU

0 STOP

1 INDATA

2 STEADY

3 DYNAMICS

4 TR.AtWS

5 OIJTPLO'F

ENTER CHOICE:

l:'igllre 2.3 silows the t\Jrrii alid coritvrit,s ot" lhc, steady-state illl_UDdala f:il¢, 5TI'.'AI)Y,I)A'I, alth¢.J_lgh we<;lr.) llOf lteed to kllOW wiiat this til,:, looks like to rlltl iii,- lirolllent.

. H3 l)hOl,()(,} OA'OA ,.2.,I. STEP f'OUR: EN'FElt " ' " ' '" "1

*** TOSPAC HYDRO INPUT-DATA FILE **,

*****'*'_* TITLE BLOCK *****,**',

Simplified Idill-Tailings Problem

_*****, COI_STANTS BLOCK ****_,*_**1000. kg/m_*3 DENSITY OF WATER

4.3E-6 /m COMPR.I_2SSIBILIYY OF WATER1.E+6 m**2 CROSS-SECTI011AL AREA 0F COLUI,INO, I 'I'IlqESTEP FACTORO.5 II,_PLICITIIESSFACTORTOP GWTT START POSITII?NBOTTOH GWTT END POSITION0 TII,IE SNAPSHOT FOR RESTART

*,**_**' GEOLOGIC-UNIT BLOCK _,_"****1 # GEOLOGIC U!_ITSUNIT # J.... IIAME:SandstoneO. m 1,tINELEVATIO!_100, m NAX ELEVATIOgI _IATRIX Y,IATERIAL INDEX1 FRACTURE bIATERIAL INDEXO. FRACTURE POROSITY

O. /m BULK-ROCK COHPRESSIBILITYO. /m FRACTURE CC)@RESSIBILITY

**_**, HATERIAL-PROPERTY BLOCK *'*_**i # IdATERIALSHATERIAL # _.... NAI,_:

Sandstone (van Genuchten, 1980)0,25 MATERIAL EFFECTIVE POROSITYI CHARACTERISTIC CURVE F,IT

i. TOTAL SATURATION0.612 RESIDUAL SAI"URATION

0.79 /m ALPHA COEFFIECENTI0.4 BETA COEFFICIENT1.25E-5 m/s SATURATED HYDRAULIC CO)_DUCTIVITY

500 TOTAL # CELLSI # SUBt,_ESHESSUBI,IESH# i :O. m LO_,'IF_J_ELEVATION100, m UPPER ELEVATION500 # CELLS

_***. BOUI;DARY-CONDITION BLACK **_***i # TII_tE SNAPSHOTSi III,IE CONVERSION I;UI,IBERSIIAPSHOT # 1O, sec P'ROBLEI,I "fIME12 BDUIIDARY-CSNDIT 101! FLAG0 m LO_,,'ER-BOU!_DARYPRESSURE HEAD

-i 585E-I0 m/s UPPFAI-BOUI_DARY FLU),O. m HAl; P[_!_DHEIGHT

**_,_* FILE BL_CK .:,_*'.,.,*'.,*STEADY,PSI SIEAD_ SOLUTION FILESTEADY.PLT PLOT-DATA FILESTEADY,LIS OUTPUT.-LIST II,IGFILE1 OUTPUT--LISTItlG CONTROL

Figure 2.3' STEA[YY input-data til,? fi)r rhosi_u,lified _fill-tailil_g._ i:,rot,lc_.

22 (_.!ItAf"I'.E'II. '2. I)R, IMEI_

2.5 Step Five: Enter Transport Data

We sl,iii need _ transport input-data file iii order to r, lake this exaznple (:Oml)h_tc. Type 1 in r¢'sl)onse tothe 'I'OSPA(_ ma.in menu to get the INI)A'FA inain menu back.,,

INDATA MAIN MENU

0 STOP

I CREATE STEADY INPUT-DATA FILE

3 CREATE TRANS INPUT-DATA FILE

ENTER CHOICE: ,?

INI)A'I'A queries _ratranst_orti_ll;)Ut--(lata[ih_nallle..,

ENTER TRANS INPUT-DATA FILE (DEFAULT=TKANS.DAT):CREATING TRANS.DAT...

TITLE BLOCK

DEFAULT TITLE: NONE

ENTER PROBLEM TITLE: Stm plJ_ed Mill-7_lings t)roblcm

DEFAULT NOTE: NONE

ENTER NOTES (ENTER A PERIOD (.) IN THE IST COLUMN TO STOP NOTES

OR ENTER "DEFAULT" IF YOU WANT THE DEFAULT)...

W("stillhavenonotes t,oadd, so(,nter a,l._riod.

SOURCE BLOCK

SOURCE FLAGS ARE...

O. SOURCE SET BY BOUNDARY CONDITION

I. INTERIOR, CONGRUENT-LEACH SOURCE

2. INTERIOR, SOLUBILITY-LIMIT SOURCE

3. INTERIOR, FILE-DEFINF/) SOURCE

4. INTERIOR, SAND91-OI55 SOURCE

ENTER SOURCE FLAG (DEFAULT=O):

The sour('e, or source term, consists of the location, the a,no,,nl., and the method of relea,sc of the

coritaminant. TOSPAC allows you to locate the source at, the boundary (as a boundary condition), or

somewhere within the nmsh. You just toht 'I'OSPAC ii,at you want the conta,.litlant at the boundary,(Section 4.2.13 conla,ins deta, ils,)

ENTER AREA OF REPOSITORY (DEFAULT=I. m**2): l.E+6 m**2

2.5. STEP f'IVE: ENTEI{ 'I'I{AN,%'POi_,,T DA'I'A 23

'I'O,¢;I'AC w_-ults to know the area, of I,he reposit,ory il, is dcalillg wit, li so t,llaC it, call c(,rllpul,(_ relea,s_.

alnOUntS for t,he Cot,al a.moullt, of collt_uninant,, (l:h_._lllb_r, 'I'OSPA(', is a one-dit_lel_siou_d Jllodcl, so

whml we t,alk about, tot, al rdea,se, ii. is as if"every tlow l.)ath u.der t,lle coIll, atllitin, nt is l,lle sal_> as I,Ii(',

one given by the steady-stal,e solver.) We haw_ ent,ere(t a, square kiloll.q,er as tt., area ()f r('l)osit, ory, II'

t,he ,nurrd)(_r looks f_mdli_Lr, wc also (._nt(_re(l ii, in the S'I'EAI)Y int)ui,.-dai,_t tile as I,I, _ (,ross-s('('l.iotla.l a r('aof the colunln.

The 'I"I'[ANS module of 'I'()SPA(", can solve l,ra,sl)ort l,)rot)leI_ls in either the ullsal, ural,e(t or l,]l_.'

sat, urat,ed zone, t,uI, not hot, h at the stone t,il_,.,. (S'I'I,]A1)Y a_d I)YNAMI(:S can only solve probl¢_t_;s inthe unsaC_lraCed zone.) 'I"OSI)A.II: a.sks the do;_min for this l,r(.)blet_l...

UNSATURATED- OR SATURATED-ZONE PROBLEM (O OR S):

We have a,n uns_l, ura(,ed-zone problem,s, so just select the defaul(,.

T()SPA(.: continu(:s by asking for _l_ore inforl_,tl,ion al.mC geologic Ullits (,qe('l,ioi_ _1.'2.14). 'l'hisil_forn_ation _nusi, be R)r the s_-tt_(eg('ologi(: units given in I,t.., tty(lrol(:.gy i_l,ul,--(la, l,;t.tih....

GEOLOGIC-UNIT BLOCK

ENTER # OF GEOLOGIC UNITS (DEFAULT=l):

UNIT # 1

UNIT # i DEFAULT NAME: NONE

ENTER UNIT # 1 NAME: ,,_and.s'touc

ENTER BULK DENSITY (DEFAULT=2000. kg/m**3): I,_'00._'(//m**?ENTER FRACTURE SURFACE AREA PER UNIT VOLUME (DEFAULT=O. /m):

ENTER FRACTURE SPACING (DEFAULT=O. m):

ENTER LONGITUDINAL MATRIX DISPERSIVITY (DEFAULT=O. m): /g. m

ENTER LONGITUDINAL FRACTURE DISPERSIVITY (DEFAULT=O. m):

ENTER MATRIX-VELOCITY CORRELATION LENGTH (DEFAULT=O. m): 30. m

ENTER. FRACTURE-VELOCITY CORRELATION LENGTH (DEFAULT=O. m):

ENTER MATRIX TORTUOSITY (DEFAULT=I.): 5.

ENTER FRACTURE TORTUOSITY (DEFAULT=I.) :

ENTER MATRIX/FRACTURE COUPLING FACTOR (DEFAULT=I.):

TOSPA(: _ow asks for conta.nlirmnl, l)rop('rt, i,'s (Section 4.2.16)...

CONTAMINANT-PROPERTY BLOCK

ENTER # OF CHAINS (DEFAULT=I):

ENTER # OF SPECIES FOR CHAIN # I (DEFAULT=I):

CON'I.,..;__':i_:_INT# 1 CIIAIN # 1 SPECIES # 1

CONTAMINANT # 1 DEFAULT NAME: NONEI _ t;) 0 QENTER CONTAMINANT # 1 NAME: _,-,_,.),.,

ENTER INITIAL "i:'.VENTORY(DEFAULT=O. mol) :

ENTER HALF-LIFE (DEFAULT=INFINITY): 1.41E+17s

ENTER ACTIVITY (DEFAULT=O. Ci/mol): _¢.00E-5 (.,',/m.olENTER RELEASE LIMIT (DEFAULT=O. Ci):

ENTER SOLUBILITY (DEFAULT=O. mol/m**3): _.IE-.{ toolm**,':/

24 (!IIAP'I'Et_, 2. l).l_,lMl'_t-t

ENTER DIFFUSION COEFF (DEFAULT-O. m**2/s): l.E-9'm,*_!/s

ENTER MATRIX DISTRIB COEFF FOR UNIT # I (DEFAULT=O. m**3/kg): ,5,JE--._/m,_,'_/kg

ENTER FRACTURE DISTRIB COEFF FOR UNIT # I (DEFAULT=O. m):

Irl the a.how_ sequence of l)romp_s, the a cl,ivit,y and the relea, se limil, pert, ain to F,nvirotlmenI,al

Prote.cl, ion Agency (EPA) regular, ions an(t _r_ only used I)y TOSPAC', to (:onlpute the EPA ral, io. We

will not worry aboui, l,heln here.

Also, noti(:(, (,h_d, 'I'OSPA(,', asks for t,h(, ntllld)(,.r of g(.'.ologic units ag_.dn. 'Fhis entry allows 'I'OSPA(', 1,o

cross cl,:ck the input-dat, a. file, and allows modific_tion of tlje conl,all_inani,-l)ropert,y block inclet)etld(_llt,

of the geologic-unit block.

Now the I-)olindary con(iil,ions mtlst, be giwm (not, ice the sillfila,r'it,y I)et,,ve('lt t,he l,r_msport,

bounda.ry-corldition 5lock, Sect, ion 4.:2.17, a.,d t,he hydrology bounda.ry-conditioll block,Necl, ioll ,1.:2.10)...

ENTER # OF TIME SNAPSHOTS (DEFAULT=l): 33

The .'tlund:)er of tilne snapshot.s correspot_ds l.o l,he iltln|b('r of dat, a. s(_glll(-,lll,s w(' Walll. i1_.the oul, l)Ul flies.

At any or ali of t.hcse snapshot I.illl('s we c(.),lld change Lll_' t,oult(lary COn(titiollS. (Scctio, 4.2.10). We

want quit,,,, a few t.ime snapshots for t,his l)robhml so l,h_d, our plots will be i,for_m.tiv(, and provides,,_ooth l,imc bistori('s.

As _entioned previously, TONI)A( ', inl)Ul, dm,a can be in any units as long a:_til(', (la i.;t are ('o_sisl.,,_l,.

[.!nfor{,_nal.ely, this fre(.,(to_ is ('und)rrsonl(:_ wl)rn ha.ving to enter wq'y long ti_es in secola(ts. ,lt:sl. for

t,h(, boundary-condition block, 'i'OSPAC. allows conversiou of time unit,s i_t,o _lor(._ tlm na.geabl(,nul_d_ers...

0 NO CONVERSION

6 CONVERT SECONDS TO YEARS

7 CONVERT HOURS TO YEARS

8 CONVERT DAYS TO YEARS

ENTER CHOICE (DEFAULT-I): /_

We (q_t.ered choice 4, n,earling tha.t, our tithe unil,s are really s_'con(ls, but we are going t,o entersnat)s]_ol, t,i_ues in years. If we w_:tnt to cnl,er t.irne in seconds, /,hen we could ha.v,:_cnt(.r,_d a choice, of 1,

or t}_c (h.'t'ault, <(.'1_>. But entering the time in years is nluch easier. Als(), the l,iine axes (_t_any l_l()I,swe r(!,q_est ',,viii nov,' be shown in yea.rs. Not.ice l.ha.l, ii' we had consisl, cnI.ly used ()t,lwr time _lnit,s

/,hroughoul. t,hc inpul,-da.t,a fih: (e.g,, v,:eeks or mille_).nia.), v,,c shou.ld e_l,('r 0 a.;s our choice.. A cho, ice of 0

tells 'I'OSPA(_.', thai, t,hct, in_e snapshot.s should not, be converl,ed I.o different ,_nits and l.h,_ OI.!'['PIX)'I'

n_odule of TOSPAC should not, assmne s(:conds or years in labeling the plol,s.

As a consistency check, TOSPAC a,sks again for {,he number of cont, aminants...

2,5, STEP FIVE: ENTER TRANSPORT DATA 25

ENTER # OF CONTAMINANTS (DEFAULT=l):

TOSPAC, now begins prompting for time and boundary-condition inforlnat.ion a.t ('very snapshot ....

SNAPSHOT # 1

ENTER TIME (DEFAULT=O. yr):

The first default is 0 yr because T()SPA(J wants t,o start eve.ry l)rol)lem at, t,ilne 0. We could haveentered 1993 or -10,000 or any rea.l tmmber as the problem start time.

BOUNDARY-CONDITION FLAGS ARE 2 DIGITS (LOWER/UPPER)...

O. USE PREVIOUS BOUNDARY CONDITION

I. CONCENTRATION BOUNDARY

2. CONCENTRATION-FLUX BOUNDARY

3. ZERO-CONCENTRATION-GRADIENT BOUNDARY

ENTER BOUNDARY-CONDITION FLAG (DEFAULT=J2): 3!

In the source block above, we told 'I'OSI:"AC that we were going to put the contanlinant source at tA(,

boundary, and boundary--condition flag 31 nleans a concentration is to be specified at l,he upper

boundary, but the lower boundary is to be defined by setting the spatial derivative of t,he collcentrat, ion

to zero (allowing what,wer a.lnount of corfl, anlinant, that reaches the lower boundary to exit l,]te mesh;Section 4.2.17)..,

ENTER CONTAMINANT # 1

UPPER-BOUNDARY MATRIX CONC (DEFAULT=O. tool/m**3): I,E-.()m.ol/'m.**._ENTER CONTAMINANT # 1

UPPER-BOUNDARY FRACTURE CONC (DEFAULT:O, mol/m**3):

We specified that a matrix concentration of 10 -6 mol/m a of ua_';U be imposed at, l,hc. Ill.)t)('r bounda.ry,

No prollq)l,s are issued for the lower boundary Because 'I'OSPAC already knows that we want to set t,lle.

spatial deriva.tiv(: to zero. Tller(:, arc no fractures, thus the fracture data are superfluous. These

|)oundary con(Iii, ions arc in effect until the next l,inm snapshot is specilie(I,

And w(, continue...

SNAPSHOT # 2

ENTER 'rIME (DEFAULT=O. yr): 5000. yrENTER BOUNDARY-CONDITION FLAG (DEFAULT=O0):

Solne brief notes: first,, the snapshot, time defa.ull, is two l,iltms what.ever tile previous t,il,m was (in this

case, a, nol,--so-useful 0 yr); second, a boundary-condition flag of O0 ll_ca.lls l,o Use the t)revio_ls lower alld

upper boundary conditions,

SNAPSHOT # 3

ENTER TIME (DEFAULT=lO000. yr):ENTER BOUNDARY-CONDITION FLAG (DEFAULT=O0):

SNAPSHOT # 4

ENTER, TIME (DEFAULT=20000. yr):

ENTER BOUNDARY-CONDITION FLAG (DEFAULT=O0):

' _ ' ' PRIMtVR26 GtIAt I ER, 2 ....

SNAPSHOT # 5

ENTER TIME (DEFAULT=40000. yr): 30000, yrENTER BOUNDARY-CONDITION FLAG (DEFAULT=O0):

SNAPSHOT # 6

ENTER TIME (DEFAULT:60000. yr): 40000. yr

SNAPSHOT # 7

ENTER TIME (DEFAULT=80000, yr): 50000, yr

SNAPSHOT # 8

EN'FEB,TIME (DEFAULT=lO0000. yr): 60000. yr

SNAPSHOT # 9

ENTER TIME (DEFAULT=f20000. yr): 70000,yr

SNAPSHOT # I0

ENTER TIME (DEFAULT=f40000, yr): 80000. yrENTER BOUNDARY-CONDITION FLAG (DEFAULT=O0):

SNAPSHOT # II

ENTER TIME (DEFAULT=f60000, yr): 90000. yr

SNAPSHOT # 12

ENTER TIME (DEFAULT=f80000. yr): 100000. yrENTER BOUNDARY-CONDITION FLAG (DEFAULT=O0):

SNAPSHOT # 13

ENTER TIME (DEFAULT:200000. yr): ILO000. 9r

ENTER BOUNDARY-CONDITION FLAG (DEFAULT:O0):

SNAPSHOT # 14

ENTER TIME (DEFAULT=220000. yr): 120000. yrENTER BOUNDARY-CONDITION FLAG (DEFAULT=O0):

SNAPSHOT # 15

ENTER TIME (DEFAULT=240000. yr): 130000, yr

SNAPSHOT # 16

ENTER TIME (DEFAULT=260000. yr): I_0000, yr

Around this t,inm weest, im_t,ethatl, hemill-tailingspileh_s run outof_as[J, There_re, a.t.t, lte next,

t,imesna.pshol, weare going t,o shul, offt, h(_source by changing theboundary cotldil, ion...

2,5, STEP b"IVE: ENTEIi. '.I'I_ANS.I_'OI_,T DATA '27

SNAPSHOT # 17

ENTER TIME (DEFAULT=280000 yr): l,SgO00yrENTER BOUNDARY-CONDITION FLAG (DEFAULT=O0): 3_

13oundary-c.ondit, iorlft_g32 ulc_r_sl, h_tt, h(_lowcrboulid_ry isst, illt,obest)ccifi(,dl)y z(!rocollccllt,ra, tiol,

gr_dient, but, now theuppcrboundary isl,obespecificdt_y a, conccut, ra, l,ioJltlux,,,

ENTER CONTAMINANT # I

UPPER-BOUNDARY MATRIX CONC-FLUX (DEFAULT=O. mol/m**2/s):

UPPER-BOUNDARY FRACTURE CONC-FLUX (DEFAULT=O. mo]./m**2/s):

Wcspecificdt, ha,t, nothing isl,oent,cr i,hcul_t)erbouud;_ry ai't,_r I50,O00yr.

SNAPSHOT # i8

ENTER TIME (DEFAULT=300000 yr): /,_5000,pr

SNAPSHOT # 19

ENTER TIME (DEFAULT=310000 yr): /60000.prENTER BOUNDARY-CONDITION FLAG (DEFAULT=O0):

SNAPSHOT # 20

ENTER TIME (DEFAULT=320000 yr): 170000.p:'

SNAPSHOT # 21

ENTER TIME (DEFAULT=340000 yr): l,_0000,prENTER BOUNDARY-CONDITION FLAG (DEFAULT=O0):

SNAPSHOT # 22

ENTER TIME (DEFAULT=360000 yr): 190000. prENTER BOUNDARY-CONDITION FLAG (DEFAULT=O0):

SNAPSHOT # 23

ENTER TIME (DEFAULT=380000 yr): $00000, prENTER BOUNDARY-CONDITION FLAG (DEFAULT=O0):

SNAPSHOT # 24

ENTER TIME (DEFAULT=400000 yr): _/0000, pr

SNAPSHOT # 25

ENTER TIME (DEFAULT=420000 yr): 2J0000. prENTER BOUNDARY-CONDITION FLAG (DEFAULT=O0):

SNAPSHOT # 26

ENTER TIME (DEFAULT=440000 yr): _30000. pr

SNAPSHOT # 27

" '28 CII,4 PSI'Ell, 2, PI_.IM 1',1_,

ENTER TIME (DEFAULT:460000 yr): _40000, yT'ENTER BOUNDARY-CONDITION FLAG (DEFAULT:O0):

SNAPSHOT # 28

ENTER TIME (DEFAULT:480000 yr): _,50000.yr

ENTER BOUNDARY-CONDITION FLAG (DEFAULT=O0):,,

SNAPSHOT# 29

ENTER TIME (DEFAULT=500000 yr): _60000. 9rENTER BOUNDARY-CONDITION FLAG (DEFAULT=O0):

SNAPSHOT # 30

ENTER TIME (DEFAULT=<20000 yr): _70000, yT'ENTER BOUNDARY-CONDITION FLAG (DEFAULT=O0):

SNAPSHOT # 31

ENTER TIME (DEFAULT=540000 yr): _80000. yrENTER BOUNDARY-CONDITION FLAG (DEFAULT=O0):

SNAPSHOT # 32

ENTER TIME (DEFAULT=560000 yr): 290000. yr

SNAPSHOT # 33

ENTER TIME (DEFAULT=580000 yr): _00000. yr

v_ (lh _ TRANS module rnusL know t,he init, ial c.oncent, r_l,t ions I,o be a.ssigned to t,he nlesh t)oint,s al. l,lle. 1 (),_ 1 At..., prompl,s for l,llis in_)rlna.l, ion ,:ts follows.sl,_,rt oi'the problem (SecLion 4.2.18) '' S _ " ..

INITIAL-CONDITION BLOCK

INITIAL-CONDITION FLAGS ARE...

O. ZERO CONCENTRATION, ALL CONTAMINANTS, ALI, MESH POINTS

I. CONSTANT CONCENTRATIONS

2. FILE-DEFINED CONCENTRATIONS

ENTER INITIAL-CONDITION FLAG (DEFAULT=O):

,>Because we w_nt, zero c°ncenl'ra'i'i°neverywh("rcandlhis wdueist,lledefa.tllL, we(ml, er <(.l_.

La.si,ly, weneed toenl;erl, hefileinlbrmat, ionrequired by'I'I{,ANS (S{_(:t,i<:)ll4.2.11)...

FILE BLOCK

STEADY PLOT-DATA FILE DEFAULT NAME: STEADY,PLT

ENTER STEADY PLOT-DATA FILE NAME:

TRANS PLOT-DATA FILE DEFAULT NAME: TRANS.PLT

ENTER TRANS PLOT-DATA FILE NAME,

0UTPUT-LISTING FILE DEFAULT NAME: TRANS.LIS

ENTER OUTPUT-LISTING FILE NAME:

ENTER OUTPUT-LISTING CONTROL (DEFAULT:I):

The STEADY plot,-dat, aflleisrequiredtoset, upt, hehydrologicb_tckground neededll)rat, ra,nsporL

calculation. TheTRANS t)lot,-dat, a and out, pui;-list, ing flies willconl,ainl, heTl{ANSout, put.

2, ,5, S'I"t_P I,_I_,'t_:,".tgN'I'I!?t{. TNA NSPOI_.T DA'I'A 29

• ') " le of I 0,.. 1A(.., is now i illislled c.re,_titlg _ 'I'RANS ir, put-da(,_ file and says so,,,lhc IN[AIA modu

TRANS INPUT-DATA FILE TRANS.DAT CREATED,

DO YOU WANT TO HAVE TRANS.DAT CHECKED FOR ERRORS (N OR Y): Y

And ,.':ffl,er_ rnomenl....

READING INPUT-DATA FILE TRANS,DAT,

TRANS.DAT CONTAINS NO OBVIOUS ERRORS.

A c.opy of'I'RANS.DA'I' is presented in Figure 2,4. Nol, ice llow if, follows our inpul, session; t,he major

difFer(raceis thud, l,hc d_l,a, a,re placed bedt'ore l.he Comlllent,s on e_rch line so t,hat. T()SPA(.: can re_zd t,he..l

more easily,

After [NDA'I'A checks your 'I']_.,ANS input,-dal, t_ file, il, _:_sk,_ii' you would like t,o view or modify l,hisfile...

DO YOU WANT TO VIEW TRANS,DAT (N OR Y):

DO YOU WANT TO MODIFY TRANS,DAT (N OR Y):

t _ _ -) ('t , , ,a,llcl (,hen tel,urns you 1.o {,he I ()Sl A .., Sllgl,I, (i.e., t,he lna, in zlwnlt)

TOSPAC VERSION I.I0 MAIN MENU

0 STOP

I INDATA

2 STEADY

3 DYNAMICS

4 TRANS

S OUTPLOT

ENTER CIIOICE:

In order t,o conlplel,e (,his exa, lllt:)lc, we need I,o d(,ternline t,he sl,eady-sl, a.t,e hydrology by execut, i,g 1,1le

Sl LA I)Y module; t,he.n we xllust &;t,ermine the tra, nsporl, of our (:Olll,_ll'|illarlll, by exec, utillg t,tle 1 I{,ANS

modu._, After these two calculat, ions we'. can make sc)_lm COml.)uter-g(_:nerated t)lol,s of t,lle results by

executing t,he O U'-I'PI,O']' _nodule.

But now is a, good t,itlm 1,o take _ brte_k, l!3nt,er ('hoic(_ O, and log ott',

(711AI'3'EI{. '2, PI{IMEII,3O .

*** TOSPAC TRANS INPUT-DATA FILE ***

******** TITLE BLOCK *******'_*

Simplifiad Mill-Tailings Problem

**:_*_*'**_** SOURCE BLOCK ****_****_*0 SOURCE-TERM FLAGI.E*6 m*_2 AREA OF REPOSITORY

_****** GEOLOGIC-UIIlT BLOCK **_*_'_*1 # GEOLOGIC UIIITSUNIT # 1,,, IIAME:Sandatone1800. kg/m*_3 BULK DENSITYO. /m FRACTURE SURFACE AREA PER UNIT VOLUNEO. m FRACTURE SPACINGI0. m LONGITUDINAL NATRIX DISPERSIVITYO. m LOIiGITUDI_IAL FRACTURE DISPERSIVITY30, m _IATRIX VELOCITY CORRELATION LENGTHO. m FRACTURE VELOCITY CORRELATION LENGTH5, MATRIX TURTUOSI TYI. , FRACTURE TORTUOSITYI, MATRIX/FRACTURE COUPLING FACTOR

_**_ CONTA_IIIIANT-PROPERT_ BLOCK _***i # CHAINSI # SPECIES FOR CHAIN # I

I # GEOI,O61C UNITS (CONSISTENCY CHECK)CONTANINANT # i CHAIN # i SPECIES # I,., NAME'.U-2380 tool INITIAL INVEtITORY1 41E*17 a HALF-LIFE800E-5 Ci/mol ACTIVITY0 Ci RELEASE LIHIT

2 IE-4 mol/m**3 SOLUBILITYI E-_ m%*2/a DIFFUSION COEFFICIENT5 3E-3 m**3/kg MATRIX DISTRIBUTION COEFFICIENT FOR UNIT IO, m FRACTURE DISTRIBUTION COEFFICIENT FOR UNIT i

_*_ BOUIIDARY-COI]DITION BLOCK ***_**33 # TIME SNAPSHOTS

TINE CONVERSION NU_IBERi # COIITAMINAIITS (COIISISTENCY CHECK)S_IAPSI{OT# 1

O, yr PROBLE_I TIME31 BOUNDARY-CO_D ITIOII FLAGI.E-6 mol/m*_3 CONTAMINANT # 1 UPPER-BOUNDARY MATRIX COliC

O. tool/m**3 CONTANINANT # i UPPER-BOUNDARY FRACTURE CONCSNAPSHOT # 2

5000. yr PROBLEN TIMEO0 BOUNDARY-CONDITION FLAGSNAPSHOT # 3

i0000, yr PROBLEM TINEO0 BOUNDARY-COI{DI TION FLAGSNAPSHOT # 4

20000, yr PROBLEM TIMEO0 BOUNDARY-CONDITION FLAGStIAPSlIO'r # 530000, yr PROBLEI,i TII,IEO0 BOUUDARY-CUI_DIT ION FLAGSIIAPSHOT # 640000, yr PROBLEN TIMEO0 BOUNDARY'COIIDITION FLAGSNAPSHOT # 7

50000. yr PROBLEN TIMEO0 BOUNDARY-COtIDITION Ft,AGSNAPSHOT # 8

60000. yr PROBLEM TINEO0 BOUNDARY-CONDITION FLAGSI,IAPSHOT# 9

70000, yr PROBLEN TI_EO0 BOUNDARY-COIIDIT I011 FLAGS_APSHOT # 10

BOO00. yr PROBLEI_ TIIqEO0 BOUNDARY-CONDITION FLAGSIIAPSHOT # 1190000. yr PROBLEM TINEO0 BOUNDARY-CONDITION FLAGSNAPSHOT # 12i00000, yr PROBLEN TISGO0 BOUIIDARY-COIIDITION FLAG

Figure 2,4' 'Fi:I,ANS inpu!-data Iii(; for the si_nplilied mill-tailings probleln.

2.5, STEP FIVE: ENTER THANSPOI_T I)A_.I_A 31

S)¢APSHOI # 13

110000, yr PROBT,.F,_4TIMEO0 BOUNDARY-CO)_D ITIOll FLAGS_APSHOT # 14

120000. yr PROBLEN TIMEO0 BOUNDARY-CDI:D ITIO_; FLAGSNAPSHDT # 15

130000. yr PRfIBLE}_ TII:,EO0 BOUIIDARY-COIIDITION FLAGSNAPSHOT # 16

140000. yr PROBLEM Tlb_O0 BOUNDARY.-CONDITIDN FLAGS)IAPSI-IOT# 17

150000. yr PROBLEN TIbR32 BOU}_DARY-CONDITION FLAGO. mol/m**2/m CDNTAMIICART # I U?PER-BOUNDARY I,IATRIXCDIIC-FLUXO. mol/m,*2/m CONTAMINANT # I UPPER-BOUh'DAR¥ FRACTURE CONC-FLUXSI_APSHOT # !!__.55000. y_ PROBLEH TIMEOO BDUNDARY-CDNDITION FLAGSNAPSHDT # _9160000. 7r PROBLEH Tll,_O0 BDUNDARY-CONDITION FLA_.SNAPSHOT # 20

170000. yr PRDBLEH TIMEO0 BOUI_DARY-COND IIIL)N FLAGSNAPSHOT # 21

ISO000. yr PROBLEM TI},_O0 BOUNDARY-CO!_D ITID)I FLAGSNAPSHOT # 22:_9,0000.yr PROBLEN _CI)dEO0 BOUNDARY-CDI_DITIOll FLAGSNAPSHOT # 23

200.000. yr PB,OBLEM TII,4EO0 BOUI_DARY-COND ITIDN FLAGSNAPSHOT # 24

210000 yr PROBLEH TTf,&300 BDUNDARY-CDI_D ITIDN FLAGS]+APSHOT # 25220000 )rr PROBLE)4 TIMEO0 BOUNDARY-COHDITION FLAGSNAPSHOT # _6

230000 )rr PROBLEM TIMEO0 BDUI_DARY.-CONDITl ON FLAGS)_AP,SHO_f# 27240000 yr PROBLEH Ill:Z.O0 BDUNDARY-CDI¢D ITIDN FLAGSRAPSH07 # 28

25.0000 yr PROBLE},4 TINEO0 BOUI_DARY.-CO]_DITIOlq FLAGSNAPSHOT # 2g260000 yr PROBI,E)4 TIME00 BOUNDARY-CONDITION FI,AGSNAPSHOT # 3027'0000 yr PROBLEld TI),_EO0 BOU)_DARY-CONDITIDN FLAGS]_APSHOT # 31

280000, ),r PROBLF}d TI),.IEO0 BOUNDARY-COTeD ITlO)I FLAGSNAPSHOT # 32

290000. zr PROBLEN TI]4E00 BOI)NDARY-CD)_DITION FLAGSIVAPSHOT # 33300000. yr PROBLEI_ TI):_E

,.,,,,_ I)_ITIAL-CONDITION BLOCK ,w-,,,_0 I)_ITIAL,..GONDIT]01_ FLAG

,,,,,,,,,,,_ FILE BLOC}< _,,w.,,.,_,,,,STEADY.PLT STEADY PLOT-DATA FILEYRAI_.S.PLT TRANS PI,OI-DATA FILETR.AI_S.LIS OUIPUT'-LIST ling FILEI OUTPUT-LISTING CDI_TRDL

32 CHAPTER2. PRIMER.,

2.6 Step Six: Run STEADY

Log back onto your cornputer system. Again type t.he following, or t,he equivalent for your syst.em, onyour comput,er terminal...

$ RUN TOSPAC

TOSPAC responds with the main metal.,,

TOSPAC VERSION 1.10 MAIN MENU

O. STOP

I. INDATA

2. STEADY3. DYNAMICS

4. TRANS

5. OUTPLOT

ENTER CHOICE:

Now, if you retnember, we already l)roduced tv,,o input,-data flies, so we can proceed to t,]le calculat.iolts.For the menu choice, enter 2...

ENTER CI_OICE: 2

We descend int,o t,he STEADY module (Section 4.3),,,

TOSPAC MODULE STEADY

'I'he STEAI)Y input,-data file we created in Step Four was called STEAI)Y.I)AT, the default,, and lmwwe ,just ent,er a < (.:R>,

STEADY begins t,o work, writing sir,at, us messages to your terminal screen...

READING INPUT-DATA FILE STEADY.DAT.

CREATING STEADY SOLUTION FILE STEADY.PSI.

CREATING STEADY PLOT-DATA FILE STEADY.PLT.

CREATING STEADY OUTPUT-LISTING FILE STEADY.LIS.

INITIALIZING VARIABLES..,

BEGINNING STEADY-STATE FLOW CALCULATION..,

ITERATION = I WORKING ON UNIT # I

ITERATION = 10 WORKING ON UNIT _ 1

ITERATION = 20 WORKING ON UNIT # 1

ITERATION = 30 WORKING ON UNIT # 1

ITERATION = 40 WORKING ON UNIT # I

STEADYS'FATEREACHED AT ITERATION NUMBER 40.

MAX FLUX DEVIATIOn= 0.29778 _ AT MESH POINT= 10 ELEVATION= 1,8000NORMAL STEADY TERMINATION,

2.7. STEP SEVEN: RUN TRANS 33

The STEADY module works on a calculation in a piecemeal fashion, one geologic unit at, a tinle,

starting from the bottom. Our problem has only a single geologic unit, so STEADY only works on one

geologic unit.

Unsaturated-zone hydrology calculations are often difticult because they can use highly nonlinear

characteristic curves and the solution is not, always snlooth ht, the interfaces between geologic units.Sections 4.3 and 4.4, a.s well as Volume I, contain more information about flow calculations. But, this

steady-state-flow calculation was relatively easy,

Immediately preceding the message t.hat STEADY terminated normally, TOSPAC has displayc-,d a

measure of' how accurat.e the calculation was, The message tells how much the calculated '!',x deviates

frozn the imposed flux and where in the mesh this deviation occurs..Ali mesh points having flux

deviations greater t,han 10c)_,are listed; if no mesh point, has a flux deviation greater than I0¢X,, th_n

only the mesh point with the maximum deviation is listed. (Se('tion 4.3 contains a discussion of' tit('possible messages giv(:n here.) The maxinmm flux deviation in this ca,se is less than I(X,, a satisfact, oryresult.

So that you can take a look at. some numbers, Figure 2.5 prese, nt,s a portion of the out, put-lisling file,

S'I'FAI)Y.I,IS, treat, eft by STEADY. Sect, ion 4.7.3 contains a d(:scription of this file.

And we are returned to the TOSPAC main menu...

TOSPAC VERSION i.lO MAIN MENU

0 STOP

I INDATA

2 STEADY

3 DYNAMICS

4 TRANS

5 OUTPLOT

ENTER CHOICE:

2.7 Step Seven: Run TRANS

Now we will execute TRANS (Sect, ion 4.5). In respons(_ to the main zll(,nu, ent,('r choice 4...

ENTER CHOICE: 4

TOSPAC MODULE TRANS

ENTER TRANS INPUT-DATA FILE (DEFAULT=TRANS.DAT) :

We used the default file name when we created the 'I'It..ANS input.-dat, a file, so just ertt(_r a <(TR.> to

select the default name again.

And the TRANS module begins running...

READING INPUT-DATA FILE TRANS.DAT.

CREATING TRANS PLOT--DATA FILE TRANS .PLT.

34 CHAt I ER PR,IMER

STEADY STATE REACHED AT ITEKATION NUNBF/_ 40.MAX FLUX DEVIATION= 0.29778 _ AT MESH POINT= 10 ELEVATION= 1,8000

FINAL CONDITIONS OF MESH

AVERAGE COLL%IN SATURATION = 0,623478TOTAL VOID VOLUME = 2,500000E*07

TOTAL WATER VOLUME = 1.558696E_07TOTAL AIR VOLUME = g,413044E+06TOTAL WATER HASS = 1.558696E_I0

BOUNDARY CONDITIONS: FLAG = 12FLUX = -1,58500E-I0

BOTTOM PRESSURE READ = O.O0000E*O0

J UNIT HAT FKK Z PRES HEAD _QDEVIATION FLUX FLXHAT FLXFRK HK501 I 1 I 100.0 -1,952 O,O000E+O0 -I.5850E-I0 -1.5850E-I0 O,O000E+O0 1,5850E-I0500 1 1 I 99,80 -1.952 1.14glE'02 -1,5848E-I0 -1.5848E-I0 O,O000E400 1,5846E-I0499 I i I 99,60 -I.952 2.2989E-02 -I,5846E-I0 -1,5846E-I0 O,O000E400 1,5846E-I0498 i 1 1 99,40 -1,952 2,2989E-02 -1.5846E-I0 -1.5848E-10 O,O000E400 1,5846E-I0497 I I I 99.20 -1.952 2,2989E-02 -1.5846E-I0 -1.5846E-I0 O,O000E.O0 1,5846E-I0

5 i I i 0.8000 -0.8000 4,5435E-04 -1.5850E-10 -1.5850E-I0 O,O000E*O0 1,2124E-054 I i I 0,6000 -0.6000 5.4034E-04 -1.5850E-I0 -1.5850E-I0 O.O000E*O0 1.2475E-053 I i 1 0.4000 -0.4000 1,0025E-03 -1.5850E-I0 -1.5850E-I0 O.O000E+O0 1,2499E-052 I J i 0,2000 -0,2000 7,1233E-04 -1,5850E-I0 -1.5850E-I0 O,O000E*O0 1.2500E-05I I 1 ! O.O000E+O0 O.O000E*O0 O,O000E*O0 -I.5850E-I0 -I,5850E-I0 O,O000E*O0 1,2500E-05

J UNIT HAT FRK SAT DSAT SATMAT SATFRK VEL VELMAT VEI.FRK501 i i 1 0 6185 3,1171E-02 0,6185 0,6185 -9.6872E-08 -@.6872E-08 O,O000E*00500 I 1 I 0 6186 3,1167E-02 0,6185 O.O000E_O0 -9.6863E-08 -9,6863E-08 O.O000E+O0499 i I I 0 6185 3.1167E-02 0,618E O.O000E*O0 -9.6854E-08 -9.6854E-08 O,O000E+O0498 I I i 0 6186 3.1167E-02 0.6185 O,O000E+O0 -9.6854E-08 -9,6854E-08 O,O000E+O0

497 I I I 0 6185 3,1167E-02 0,6185 O.O000E+O0 -9,6854E-08 -_,6854E-08 O,O000E+O0

5 I t I 0,9971 3.795gE-02 0,ggTl O,O000E*00 -1,6706E-09 -1,6706E-09 O.OO00E*O04 i I i o.gggg 2.5793E-03 0,ggg9 0.0000E*00 -I.6374E-Og -I,6374E-Og 0,0000E*O03 i I I 1.000 5.7094E-05 1,000 O,O000E*00 -i,6342E-Og -I,6342E..0g O,O000E*002 I 1 I 1.000 8,4LIIE-08 1,000 0.O000E*O0 -1,6340E-09 -1.6340E-09 0.O000E*O0i i I I 1,000 0,0OOOE*00 1,000 1,000 -1,6340E-09 -1.6340E-09 0.O000E*O0

******** GROUNDWATER TRAVEL TIME ********

START POSITION = I00.00EIID POSITIOI{ = O,O0000E,O0

AVERAGE FASTEST PARTICLE = 0.17938257E+I0 SECCOMPOSITE = 0.17938257E_I0 SEC

MATRIX = 0,17938257E+I0 SEC (i00,00_ OF RAI_GE)FEACTURES = l_O FLO_

CALCULATIONAL CUTOFF USED TO DETE_41NE SIGNIFICANT FLOW = O.iO000E-OI

Figure 2.5: Part of the STEADY output-listing file for the simplified mill-t, ai|ings problem.

2.7, STEP SEVEN: RUN TRANS 35

CREATING TRANS OUTPUT-LISTING FILE TRANS.LIS.

READING STEADY PLOT-DATA FILE STEADY.PLT.

INITIALIZING VARIABLES,..

BEGINNING TRANSPORT CALCULATION..,

SNAPSHOT I,.. TIME(YR) = O.O0000E+O0

ITERATION = 1 STEP(DY) = 57.870 TIME(DY) = 57.870

ITERATION = I0 STEP(DY) = 63.332 TIME(YR) = 1.5984

ITERATION = 20 STEP(DY) = 152.75 TIME(YR) = 4.6812

ITERATION = 30 STEP(DY) = 318.42 TIME(YK) = 11.307

ITERATION = 393 STEP(YR) = I0000. TIME(YR) = 2.80000E+05

SNAPSHOT 31... TIME(YK) = 2.80000E+05

ITERATION = 394 STEP(YR) = i0000. TIME(YR) = 2.90000E+05

SNAPSHOT 32... TIME(YR) = 2.90000E+05

ITERATION = 395 STEP(YR) = I0000. TIME(YR) = 3.00000E+05

SNAPSHOT 33... TIME(YR) = 3.00000E+05

NORMAL TRANS TERMINATION.

That is it. To underst_md better what 'I'lt, AN,¢_ is doiiLg and telling you, sea Section ,1.5, 'lb _ce aportion of tile numbers generated by TRANS, see Figure 2.6. A descripl, ion of tile TRANS

output-listing file is given in Section 4.7.10.

After TRANS is executed, TOS1)AC: returns to the main menu...

0 STOP

1 INDATA

2 STEADY

3 DYNAMICS

4 TRANS

50UTPLOT

ENTER CHOICE:

',]6 CHAPT'EI¢, 2. PI_IMEIt

HYDROLOGIC qUANTITIES:

MESH UI_IT MATRIX FRACTURE MATRIX FRACTURE ADVECTIVECELL # ELEV MOISTURE MOISTURE VELOCITY VELOCITY COUPLING

500 1 99.90 0,1546 O.O000E*O0 ,-1,0250E-09 O,O000E.O0 O,0000E*O0499 1 99,70 0,1546 O,O000E.O0 -I,0248E-09 O.O000E+O0 O.O000E*O0498 1 99.50 0.1546 O.O000E+O0 -I.0248E-09 O.O000E+O0 O.O000E+O0497 i 99.30 0.1546 O.O000E+O0 "I.0248E"09 O.O000E+O0 O.O000E*O0

5 i 0.9000 0.2461 O.O000E+O0 -6.4394E-I0 0.0000E+00 O.O000E_O04 1 0,7000 0,2496 O,0000E+O0 -6,3498E-10 O,O000E_O0 O.O000E+O03 1 0,5000 0.2500 O,O000E*O0 -6.3404E-10 O.O000E_O0 O.O000E+O02 1 0,3000 0.2500 O.O000E*O0 -6,3399E-10 O,O000E+O0 O,O000E_O01 1 0,1000 0.2500 O.O000E_O0 -6.3400E-10 O,O000E+O0 O.O000E*O0

TRANSPORT COEFFICIENTS FOR SPECIES I OF DECAY CHAIN i: U-238

MESH UNIT MATRIX FRACTURE MATRIX FRACTURE DISPERSIVECELL # ELEV .RETARD RETARD DISPERSN DISPEKSN COUPLING

500 1 99.90 62,69 1.000 2.3411E-10 1.O000E-Og O,O000E+O0499 1 99.70 62,69 1.000 3.0196E-10 1,O000E-09 O,O000E*O0498 t 99.50 62.69 1,000 3.6938E-10 I,O000E-O9 O,O000E+O0497 t 99,30 62,69 1.000 4,3634E"10 1.O000E-09 O.O000E_O0

5 i 0.9000 39,76 1,000 6.4026E-09 I,O000E-09 O.O000E.O04 i 0.7000 39.22 i.O00 6.3179E-09 1.0000E-09 O,O000E_O03 i 0.5000 39,16 1,000 6.3105E-09 I.O0_OE-09 O.O000E*O02 I 0,3000 39,16 1.000 6.31!5E-09 I.OOUOE-09 O.O000E_O0i I 0,1,000 39.16 1,000 6.3t31E-Og I.O000E-09 O,O000E*00

TIME STEP 395 TIME 9,46728E+12 DELTA TIME 3.15576E+11FINAL TIME: SIIAPSHOT 33

U-238...........................

MESH UNIT MATRIX FRACTURECELL # ELEV COliC CONC

500 1 99.90 2.3845E-12 O.O000E+O0499 t 99,70 3.9996E-12 O,O000E_O0498 i 99.50 6.2461E-12 O.O000E+O0497 1 99.30 9,2226E--12 O,O000E_O0

5 I 0.9000 6,1280E-07 O,OO00E*O04 i 0,7000 6.1291E-07 O.O000E+O03 I 0.5000 6.1299E-07 O,O000E*O02 1 0.3000 6,I302E-07 O,O000E*O01 I 0,I000 6,1302E-07 O,O000E*O0

MASS COHSERVATIOI_ TIME STEP 395 TII,IE9. 46728E_12MASS t,tASS

ll_HESII IIIJECTEDCHAI]] SPECIES MATRIX FRACTURE ADSORBED PRECIP SOURCE T BDRY B BDRY + 14ASS INTO PERCENT

# # ];AME MASS MASS 14ASS t,tASS HASS MASS MASS RELEASED _ESH DIFF

I I U-238 3.88E+00 O.OOE*O0 2.35E_02 O.OOE+O0 O.OOE+O0 7.53E.02 -5.14E+02 7.52E*02 7.53E+02 -8.97E-02

f,tASS RELEASE

CHAIN SPECIES TOP TOP BOTTOM BOTTOH# # I_AME TOTAL CUMULATIVE TOTAL CUMULATIVE

1 1 U-238 -7.53E+02 -'l.53E*02 5.14E*02 5.14E_02

r',, [ 'Figure 2,6' Part of the 1 tt,ANS out,put-list, ing file for the simplified mill-t,a.ilings problem.

2,8. STEP EIGHT: RUN OUTPLOT 37

2.8 Step Eight: Run OUTPLOT

We are in the home stretch.

Waiting to be used, but currently invisible to us, are the results STI;;.AI)Y and 'PI{ANS h_tve ores.ted.

These results consist of large arrays of nunlbers corresponding to pressure heads, concentrations,

releases, etc., at, each mesh point5 or each boundary or each time sslal)shot, We showed you a. part of

them in Figures 2,5 and 2,6, Now we need to somehow digest this inlbrmation.

TOSPAC conta.ins a module, OUTPLOT, to produce colnl.)uter plots of the results. ()[JTI)|,O'[ ' is

described in detail it_ Section 4.6. To create these plots, enter 5 as your choice from tile' 'I'OSPAC z_la.i:_nmnu,,.

ENTER CHOICE: 5

And TOS PAC respoJids..,

TOSPAC MODULE OUTPLOT

ENTER OUTPLOT PLOT-DEFINITION FILE (DEFAULT=OUTPLOT,PDF):

A brief description of how OUTP[,()T works is ne,cessary here. Basically, ()UTI'LO'I7 reads a. file l,hal,

tells it what plots are desired (the plot-dcfinilion file) _md a data [il_: (th_, plot-dais file), t,l,(',t_ il,

produ.ces a file of conll)uter-graphies comlllands t,ha.t can only be int,ei'pr('tt:,d by a coIlll)ul, er-gr;tl:)lJics

device (the graphics-driver file). If the plot-definition l:ile does not exist,, the O UTP L()T xrlod ule (_lll,(.,rs

into a procedure that prompts for plot-definition data. As you answ(,r the prollq)ts, OU'I'I)I,O'I ' (:real,es

a plot-definition file. When you finish detining the plots you wall(,, ()U'I'I'I/)'I' l)roduc.('s (,he act, ual

plots on the graphics-driver file. (At some installations, OUTPI,O'I' lllay produ('(_ the t)h>l,s dir(,c(.ly (.)ta

the user's tern final screen,) The main purpose of tile plot-detinitiozl file. is to avoid rel)eal.illg tlml:)rompting procedure every time a new set of plots is required. Wil, la tilne, you can tailor a,

plot-definition file that t;roduces most of the plots that you lind us(_ful, and you will t)e at)lc i,o (:real,(.,

the plots by simply felling TOSPAC, the file nam(.',.

But we do not have a plot-definition file yet,. Choose the default l)h::)i.-dcl:illition file Il_l.lll(, by (ml.erillg a.

<CN>. TOSPAC responds with the fbllowing message...

OUTPLOT.PDF DOES NOT EXIST.,.

CREATING OUTPLOT. PDF.

'['beLt T()SPAC presents the !,Ol)-le'vel Inenu for OU'I_PI.,O'I'...

OUTPLOT MAIN MENU

O. STOP

I. DEFINE STEADY PLOTS

2. DEFINE DYNAMICS PLOTS

3. DEFINE TRANS PLOTS

4. CONSTRUCT GRAPHICS-DRIVER FILE

ENTER CHOICE:

If t.he plot-definition file already exists, the same menu is presented. If _lly new plots are ,h:,.filled, t.hcy

38 CftAPTEI_ 2, PRIMEt_

are appended to t,he tile plot-definition file, No provision is made to lnodit'y or delet,e plot definitions.These tasks must be performed using your computer's text editor,

We wa,nt, t,o plot result,s from bot, h STEADY and TRANS, li'irst, we will define plots for STEADY,Enter choice 1,,,

ENTER CHOICE: .I

First, TOSPAC ,asks for the STEADY plot-data file.,,

ENTER STEADY PLOT-DATA FILE (DEFAULT=NONE):

'I'OSPAC allows you to name plot-data flies in the pie, t-definition file, Tlm adwmtage is that, an audit

trail is kept, 'l'he disadva.nl,age is that, t,he plot-definition file will only work wit,h the specified plol,-datafile, Select the default.

And TOSPAC present,s the menu for the various steady-state plots l,ha.t are available,,.

OUTPLOT (STEADY RESULTS) MENU

0 STOP

I PLOT MESH/STRATIGRAPHY

2 PLOT CHARACTERISTIC CURVES

3 PLOT COMPOSITE CONDUCTIVITY. AND CAPACITANCE CURVES

4 PLOT PRESSURE HEAD VS ELEVATION

5 PLOT SATURATION VS ELEVATION

6 PLOT FLUX VS ELEVATION

7 PLOT VELOCITY VS ELEVATION

8 PLOT CONDUCTIVITY VS ELEVATION

9 PLOT CAPACITANCE VS ELEVATION

I0. PLOT TRAVEL TIMES

ENTER CHOICE:

A desc.ription of each type of steady-st, ate plot, is contained iri Sec.tion 4.6,3. Steady-state plots are

often more useful ii' you include several different steady-state calculations on the same plot

(Section 4.6,2), We will produce a mesh/stratigraphy plot l,o check our input data, and we will nlake a

wafer-velocity plot in order to demoo.strate the process for producillg a more typical plot,

First,, the .mesh/st, rat, igrapy plot,, Enter choice 1,,.

ENTER CHOICE: I

And t,he TOSPAC OU'I'I_I,OT module responds..,

DEFINING MESH/STRATIGRAPHY PLOT...

ENTER ELEVATION-AXIS TYPE (LIN, LOG, NEGLOG):

TOSPAC is asking you to specify an axis type, The default axis type is t,he one listed first,', in this case,

linear. For a mesh/,strat, igraphy plot, it is usually best, t,o use a linear axis,

2.8, STEP EIGttT: ,RUN OUTPLO'I 1 39

Now OU'FPLOT seeks information about the unil, s of the axis.,.

DO YOU WANT TO CHANGE AXIS UNITS OR SCALE DATA (N OR Y):

OUTPI,OT assumes SI units. If we wanted English units instead, we c.ould change, the axis labels. If

we had used ,.q'l units, but wa.nted elew_.tion iri centimeters, we could change the axis labels and wecould enter a scale factor tc> scale the da.ta. |_'lut SI ilnits arc.', what we wa.nt.

Next, '.I'OSPAC asks about the axis linlits. 'l'he default is to show the nmsh/st, rat, igral)hy for the whole

column, but, you could specify some other Iiinits, if you want,cd a "blow-up" ot' a. particular region, forexample.

SETAXIS LIMITS,..

ENTER ELEVATION-AXIS MINIMUM:

ENTER ELEVATION-AXIS MAXIMUM:

Notice that, the OU'['PI,O'F rnodule hal,dies defaults different,ly than the I NDATA nlodule. Ol.l'l'l_l,()rt '

does not tell you what the default value is: if you enter a cUR>, tlle word I)I!;FAI.JLT is written ill the

plot-definition file. OU'I'PI,O'I' does not calculate t,he actual default valtles until ii, creates the

graphics-driw_r file. ()UTPI,O'I' was designed this wa,y so that one t)lot-definit, ion file could be, used to

create plots with sew::ral different plot-data tiles (for several 'I'OSPA(I? calculat, ions). ()n the dc'bit si&_,the user does not know beforehand what tlm default value is.

TOSPAC, now queries for two more t__arallletcrs...

ENTER # OF MESH POINTS IN BOX:

ENTER STEP SIZE FOR MESH-POINT-NUMBER LABEL:

These Ira.ra,meters allow you to _utjust the inesh-colutlln drawing but,, for now, ellter <Cit'> to select thedefault,

And afl,er a time..,

PLOT DEFINITION COMPLETED,

'I'hat is easy enough, but where is your plot? OU'['PLO'I 1 has only written the inesh/stratigrapllyrequest onto the plot--definition file. We are going to define ali the plots [irsl,. Then we are going to use

these plot definitions to create a file that will drive a cOnllmter-grat_hics device. Whe_l ii, is finally

dra.wn on a computer-graphics device, the mesh/stratigr;q)hy plot you ha.w_ just defined should looklike tohe one. presented in Figure 2,7.

A monlent later, on your terminal the STgADY results nie.nu will reappear...

40 CItAPTEI_ '2. I-)RIMEt_

Simplified Mill--Tailings ProblemCalculational Mesh

Figure 2.7' Mesh/stratigraphy plot for the simplified mill-(,ailings l)roblenl,

2,8. STEP EIGHT: RUN O[ ltLOI 41

0 STOP

3 PLOT COMPOSITE CONDUCTIVITY AND CAPACITANCE CURVES

i0. PLOT TRAVEl, TIMES

ENTER CHOICE:

Now let's make t,he w_ter-velocity plot, choice 7...

ENTER CHOICE: 7

And ]O, PACresponds.

DEFINING VELOCITY-VS-ELEVATION PLOT...

111'FOSI-')A(.,," "velc)clt.y' " is the average linear velocity of a parcel of water. Actuldly, tllere is inore thanone type of plot _r t,he average linear velocity, so [ OS[ AC responds with the velocit,y plot menu,,,

OUTPLOT (STEADY RESULTS) VELOCITY MENU

O. STOP

I. PLOT COMPOSITE-WATER VELOCITY

2. PLOT MATRIX-WATER VELOCITY

3. PLOT FRACTURE-WATER VELOCITY

4. PLOT ALL

ENTER CHOICE:

_: Ourexampleproblemhasllofractures, thus the velocity plotslbr the fract, ures willnotbeuscful, Also,

without, fract, ures, conlpositewater velociLy isthe sanle _s matrix w_t,er velocity,'l_y the following,,,

ENTER CHOICE: 2

] And 'I'OSPA(I begins several queries t,c)define the axes,,,

Im ENTER ORIENTATION (PORTRAIT OR LANDSCAPE):

DO YOU WANT TO CHANGE AXIS UNITS OR SCALE DATA (N OR Y):SET AXIS LIMITS.,.

i ENTER ELEVATION-AXIS MINIMUM:

42 CItAJ I.Lt_, 2, PII, IMER

ENTER VELOCITY-AXIS TYPE (LIN, LOG, NEGLOG): NEGLOG

SET AXIS LIMITS...

ENTER VELOCITY-AXIS MINIMUM:

ENTER VELOCITY-AXIS MAXIMUM:

The dcfm,lt, orientation is portrait. PorLraii, orient.at, ion places the plot wit,h the longer sides of the

page w_rl,ic_d; la,ndscape l,urns the longer sides horizonl, M. We haw.' defined a port, ra,it, orieni, a.l,ion wil, h

a, linear elew_l, ion a,xis rold a, logarit, hmic wdocit, y axis with negative velociLies. 'l'he default units (b'l)are t,o be used.

'Fhe OU'-['PI.,O'I _n_odule of '['OSI'A( 3 has self-sca, ling ca.pM)ility and the defaul'l, value is what, TOSPA(._

c.onsiders to I:)c t,he best,. But yoIJ ltla,y not, always like it,, so yoll are giw_n a cha.Ilce t,o cha,nge ii,, For

t,his cx_lnl)le, default;s have been tile, sen for ali t,he axis linfit, s.

And [inally...

DO YOU WANT A LEGEND (N OR Y OR SAME):

We do not need a legend for only one curve: enter <C/e> to selec.t the default (which, again, in the case

of a, yes/no question is no).

And after a ,ime, 'I'OS[)A(_ ', indicates (,hal. the 1)1ol, is defined...

PLOT DEFINITION COMPLETED.

The l)lot, of l,lle a,w_r_ge linear velocity of wa,l,er in the ma, trix versus (flevation for 1,he cxaanple prol)lem

is l)rese_d,ed in Figure 2,8,

A moment later, on your terlninal the STEADY resull, s nlenu will reappea.r,,,

O. STOP

1. PLOT MESH/STRATIGRAPHY

2. PLOT CHARACTERISTIC CURVES

3. PLOT COMPOSITE CONDUCTIVITY AND CAPACITANCE CURVES

4. PLOT PRESSURE HEAD VS ELEVATION

5. PLOT SATURATION VS ELEVATION

6. PLOT FLUX VS ELEVATION

7. PLOT VELOCITY VS ELEVATION

8. PLOT CONDUCTIVITY VS ELEVATION

9. PLOT CAPACITANCE VS ELEVATION

i0. PLOT TRAVEL TIMES

ENTER CHOICE:

Ent, er choic.e. 0 here and the OUTPLO'I _ nlain menu will api)ear,,.

"f r'l /r1_ rl2,8. STEP EIGIt.I: RUN OI "I.1I501 43

Simplified Mill-Tailings ProblemWater" Velocity in the Matrix

lO0. -............................................................

0 Sandstone

..... I I t ,,I I Jill _ _ ,4 _ _ J tt_ _ _ 2_ _ _ _ JJ

10 .--9 10 -8 10 -7 .tO -6

Negative Velocity (m/s)

Figure 2.8: Water velocity for the simplified mill-tailings prolAeln,

44 CHAPTER, 2. PRIMEt_

OUTPLOT MAIN MENU

O. STOP

2, DEFINE DYNAMICS PLOTS

ENTER CHOICE: ,_

At this l,irne we eni, er choice 3 l,o see what, OUTPLOT can do with the transport results, First,, as with

the S1 ts,AI)h plot, s, _uo, _,,,, _usks _r a plot-data file...

ENTER TRANS PLOT-DATA FILE (DEFAULT=NONE):

' ISelec,the defaultand thisplol,-delinitionfilec_m be used with any TRANS plol,-dal,a file.

Now TOSPAC preseni;st;hemetal Ibrl,he various'l'l_,ANS-relaiedplots,..

OUTPLOT (TRANS RESULTS) MENU

0 STOP

I PLOT MOISTURE CONTENT VS ELEVATION

3 PLOT DISPERSION COEFF VS ELEVATION

4 PLOT RETARDATION VS ELEVATION

5 PLOT COUPLING CONSTANT VS ELEVATION

6 PLOT CONCENTRATION VS ELEVATION

7 PLOT CONC VS ELEVATION VS TIME (3-D)8 PLOT CONCENTRATION VS TIME

9 PLOT RELEASE VS TIME

ENTER CHOICE:

S_cl;lon 4,6,5colfl, ains adiscussionofl, heplol, tingoptions _)rl, ranspor_ restllts,

Plots ofrelea,se versus time are in_rlnat.ive;enl, er choice 9, andTOSPACresponds,..

DEFINING RELEASE-gS-TIME PLOT...

Because there are several different release plol, s, TOSPACdisplays anothermenu...

OUTPLOT (TRANS RESULTS) RELEASE MENU

O. STOP

I. PLOT BOTH ACTUAL AND CUMULATIVE AMOUNTS TOGETHER

2. PLOT ACTUAL AMOUNT PRESENT

3. PLOT CUMULATIVE RELEASE

4, PLOT RATE OF RELEASE

ENTER CHOICE: i

The actua, l amountpresent is the amount ofcont, amhlanl, t,hath_crossed aproblemboundary,

a,djust, ed _rradioact, ive decay astimepasses whileil, is outside oftheproblem boundary. The

2,8. STEP EIGttT: RUN OUTPLOT 45

cunmlat, ive release is a running tot, al of contaminant, t,hat has crossed t,he boundary, ill t,l,e coni.amirmnt,

does not decay, t,he act,ual amount, equals t,he cumulat, ive amount,. The rate of release is t,he t,i)nederivative of the release.

TOSPAC now queries about, the t,ype of plot ....

ENTER RELEASE TYPE (MASS, RADIOACTIVITY, OR EPA RATIO):

The default, is MASS, which we have again selected. Also select, t,he default for (he next, prompt ....

ENTER RELEASE BOUNDARY (BOTTOM, TOP, OR BOTH):

Now 'FOSPAC promt)t.s for informat, ion about, t,he ax(':s...

ENTER RELEASE-AXIS TYPE (LIN, LOG, NEGLOG): LOG

SET AXIS LIMITS...

ENTER RELEASE-AXIS MINIMUM:

ENTER RELEASE-AXIS MAXIMUM:

ENTER TIME-AXIS TYPE (LIN, LOG, NEGLOG):

SET AXIS LIMITS...

ENTER TIME-AXIS MINIMUM:

ENTER TIME-AXIS MAXIMUM:

We have specified a logarithmic release axis and a li,war (i1,1¢' axis, We will stay wit, h the (lef'ault. ,,,,itsand axes limits.

TOSPAC. now a_ks for t,he contamina.t,s we would like a_ t,hc subject of the plot ....

E}_TER CONTAMINANT :

An accept, able response is the number repres_"n(,i.g t,he posi(,ion in (he input,-data [il¢' of t,he

cotltaminant, or t.ile name of t,he contaminat)t.. A separat,e plot, will be nmde for ,,,ach contatl)it)a))l.

listed. We only have one contaminant in the input-data tile': we could have er_tered th(' ,umber 1, thename [¢-23_, or t.he default..

And again we are allowed to specify a legend...

DO YOU WANT A LEGEND (N OR Y OR SANE): }'

We do wa))t a legend. (.his t.ime, in order to discriminate:, l)0.,(.ween the curves l_r act, ual alz),o,,lltt andcurt mlativ(3 arllotlilt,.

EI_TER LEGEND LOCATION:

And 'IOSPAC signa.h_ that the release-versl_s-time plot is defined...

PLOT DEFIfflTIOH CONPLETED,

't6 ('IlAI'Tt';iI 2, .l)l_l_lElt

'l'h<, plot, t)rodlaccd t,y th, 'I"OSI'A(', () t lT I" IA)T ttlo(lule for t,his t:)r(.)t_h'lll is f)r_scuU'd in l"ig_urr _2.!),

Becausr of lhc' loitg half-lift' For ":+"ii, lh,' ('urvc for tt._ a('t,.al altioutlt overlays t l.' curve for III,'rumulat, iv(' reh.as¢..

'['h<. t,ra_lsl)ort+ l_lot ttlc.l_u r_.t urtls t() your t,,:rmi.at s('r¢,,._...

OUTPLOT (TRANS RESULTS) MENU0 STOP

1 PLOT MOISTURE CONTENT VS ELEVATION2 PLOT VELOCITY VS ELEVATION

7 PLOT CONC VS ELEVATION VS TIME (3-D)

8 PLOT CONCENTRATION VS TIME

g PLOT RELEASE VS TIME

ENTER CHOICE:

'l'hrc+'-ditl,_,..d(.lal t)lol,s ar_-. Jti('(,: ,_..Ir('t, choic_, 7, at.t 'I'()SI'A(', rcsl)(md,,-_...

DEFINING CONC-VS-.ELE3,,ATION-VS-TIME PLO'r...

OUTPLOT (TRANS RESULTS) CONCENTRATION MENUO. STOP

1. PLOT CONC IN THE MATRIX

2, PLOT CONC IN THE FRACTUKES3. PLOT CONC IN THE MATRIX AND FRACTURES

ENTER CHOICE: l

()(!'['I'[.,()T ('a. (,ithrr l,h.)t llJat,rix ro.ce.ni ration or fra('Ulr<, (,(m('czlt raii(,ti; in tl_ost, ra.,_-'s, ','.'her<. _]l,,rt,

is a f'airly st r(.lg. !tl,_tri×/l'raet urc ('Oul)lit_._. t,l., l.,l(:,i,s ,,,,,iii I(:_)k i(h,nti('al, l"(,r ()ur l>r()t_l<'_ ll_e i_()i.ut, ist_.,(:+t b_.('aus(, w_' (tid not, itt('ludc arty fra(:tur,_,s.

ENTER VIEi,/ RADIUS (DEFAULT=12_o.):

ENTER VIEW POLAR ANC,LE (DEFAULT=7_.):

ENTER VIEW AZIMUTHAL AN(ILE (DEFAULT=340.):

'.["hr<'(,-(lirt.msi(+ttal t_l(.:,tsar_, drawn ii, l!,crsi.,t.ct, ive. Yuu r_¢.rd t,., trll 'I'()SI'A(' i. sl)h,'ri('al ('_)(,r<lil_;'.lt_,s

wll,+:r+' 'tc, i,la('e y()l_r ,_,y_'wit,[, rvsj.+rt to the plot (S<,t:tion .I.6.5), Y(,u ('++.t_tlook +xl it fr(,_+ al+,, x_+.h_,l_it_d,l,,,l()w, <+,r'.,,+l.,r,+,v,:,r. l_;.t, for t.:,,,,, |a+k<: t,l.' (fi.fa_tlt,s,

Arid t;-+k_'tr.+ (J,"fatllt, s for lhc. axit_; unit.,., axis scalillg, alt.d axis; litr}its...

CONCENTRATION AXIS ....

DO YOU WANT TO CHANGE AXIS UNITS OR SCALE DATA (N OR Y)"SET AXIS LIMITS,,.

ENTER CONCENTRATION-AXIS MINIMUM:

t"_.'bl"Pl_'_,l_ ,_'_t"1,t_'t"+'L_.'l_Trp_ tq_Tt"_ICt A V'T"_ IEAA '_/'T"tA't'tt,t .I,,,.11+'I,I. l..+_.',. ',¢._,.+',l,l_.,,,L,,t,r • ,1.+¢'%I.J._.,J'+t ,i_,I_.I. I_;_,.I. PIUTI

2,8, STI_P EI(;ttT: t_t1N OI1Tt'L()T d7

......................................................... Co

cS Lr?.

, _,._ ,._,_,__ ,,_ tD

iii! .........................,.-._CO

' ,r'_

._ e_ .................... C_L ...... d

_1 I ....................................................... I_

:llll| | 11 |rllli i | i |llllf......I | J II|ill|| I I ILLJAII ! l iilll|l I l _llJJJ. il L_L_ IlUIIIIA____

e_ e,/ ,.4 O ,-4 C,/ _ 'O _ ct-) l', [

(Iou# ss_n

48 (/I:IAI)TEII. '2, I)t_IMEII,

ELEVATION AXIS..,

DO YOU WANT TO CHANGE AXIS UNITS OR SCALE DATA (N DR Y):

SET AXIS LIMITS...

TIME AXIS...

DO YOU WANT TO CHANGE AXIS UNITS OR SCALE DATA (N OR Y):SET AXIS LIMITS,..

Note tha, t, log scales are not allowc, d o_l t,hree-dinlensiona] i)lot,s.

'['OSI)A(._ now protJlpts for the nuntSers of l,he cont, alnill_ult.s (froll: l,]le order iii the illl)tlt-da.l.a til_')

t,hat, you want plot, i.ed,..

ENTER CONTAMINANT:

And finally, T()SPAC', lets you define (within linlit,s!) the coarse,hess of the f_tbric of' l,llel,h tee-d it rien sio nal su ft'ace.,.

ENTER # OF ELEVATION LINES:

ENTER # OF TIME LINES:

You <'_u_enter wh_Lew, r positiw: im,egers you w;-tl_t, but, 'I'OSPA(: will not put, in lliorc clcva.l, ioll litl_,sor t,izne lines than the dat, a. conl, ain,

Now TOSPAC finishes the plot, (l(,finition...

'Fhe t,hree-dilnc.nsiolml plot I.,ro(tllced by ()(!TI_I,(.)'I" for tllis l,robl_'r_l is i_r_sc,n_.ed in I"igur( _2.1().

Notice how l,he concentration is a COllS{,;lll(,(10 -'_ tnol/nl :_) al. t.he top of I,tl{! Iil_'S}l- il, forJlls atriangular table top ........for t,h_, lirst 1[)0,000 yr, then ii. is shut otr. 'l']l_, collcent.rat, ion falls to zer<, as t.ll_'conl.anli_lanL mixes wil, h the wat,er al, the water table,

()[J'.I_PIX)T now ret,urlls you t,o the t,ransl)ort plot, itmntl, ,.

2,8, STEI" I';I(-;HT: RUN OUTPLOT 4!)

Figure 2.t0: _:_sLl(:onceui.ra.tiou over time and eh'vat, ion ff)t' the siml_lified mill-tailiu_,.;s problel_.

1-|2_!

50 CHAI)_I'EI{ 2, PI_IMEI{,

0 STOP

7 PLOT CONC VS ELEVATION VS TIME (3-D)8 PLOT CONCENTRATION VS TIME

ENTER CHOICE:

We would like one lllore l)lot, a plol, of concentatiorl versus elevation with multiple tinge lines. This plot.

has the same inforlila.t, ion _s the threc-dinmnsional plot we just, ma(tc, but using it, one can nlorc easilydiscern concentration va,lues.

Enl, ering choice 6, we get...

DEFINING CONC-VS-ELEVATION PLOT...

Again, severMdilS_renttyt)es of plots showing concerti.ration versuselewttion are aw_ilab[e through amenu...

OUTPLOT (TRANS RESULTS) CONCENTRATION MENU

O. STOP

I. PLOT CONC IN THE MATRIX

2. PLOT CONC IN THE FRACTURES

3. PLOT CONC IN BOTH MATRIX AND FRACTURES TOGETHER

ENTER CHOICE: !

Next,'I'OSI)AC asks [brsevcraldrawing parameters..,

ENTER ORIENTATION (PORTRAIT OR LANDSCAPE):

ENTER CONCENTRATION-AXIS TYPE (LIN, LOG, NEGLOG):

DG YOU WANT TO CHANGE AXIS UNITS OR SCALE DATA (N OR Y):

SET AXIS LIMITS...

ENTER CONCENTRATION-AXIS MAXIMUM:

ENTER C_NCENTRATION-AXIS MAXIMUM:

SET AXIS LIMITS...

Just, select the defaull,s, TOSPAC now asks %r the contaminant thatist, he subject ofthe t)lo! ....

2,8, S'TEP E,I(,'HT: RUN ()UTPLOT 51

ENTER CONTAMINANT :

And the times at which you w_ml, a curve of concenl, ra,tion w:rsus elew_,tion,.,

ENTER TIME-SNAPSHOTS TO BE PLOTTED:

The time-snapsho(, nund.>ers correspond to the. ord(:r number of (,he snapsllot,s iu the inpu(,-dal, a, lilt,

We wan(, quite _-1few (,inn: lines on our plot, bu(, not ali of (,hem, so eni, t;r (,h(_ following.,,

ENTER TIME-SNAPSHOT TO BE PLOTTED: 1 2 4 7 12 17 18 20 23 28 ,'Y.'Y

Ali these nu)nbers ))mst be entered before you en(,cr _ <Cit>,

'FOSPAC, now asks abou(, _ legend _ts follows,,,

DO YOU WANT A LEGEND (N OR Y OR SAME): f

SPECIFY LABELS...

ENTER LABEL FOR SNAPSHOT # I:

ENTER LABEL FOR SNAPSHOT # 2:

The defaul(, labels (the labels we selected) are. (,he (,lines ent.(:red in (,he boundary-.conditiol, block of (,lie

TRANS inl:)ut-d_l,a file,

Now TOSI_AC _llows us to locate the legend on the plo( ....

ENTER LEGEND LOCATION: RIGHT, t30TTOM

We (,old TOSPAC, to loc_£(,e (,he legend iri l,he lower right corner of (,he l)lot,

And TOS PAC: _nnounces...

The plot we ,just produced is presented in Figure 2.11. It, is inl,er(.'.sl,iug t,o comp)tre. (,his plot wi(,h (,he

(,hree-dinmnsioned plot shown in Figure 2.10.

TOSPAC now returns us to (,he trtmsport plot, menu,..

"1 )r 1 "1 2,52 (.,HAl 1 EI_ t)RIMEt_

Simplified Mill-Tailings ProblemU-238 Concentration in the Matrix Water

-o.,'_ o.o o._ 0.4 o.6 0.8 1.o _.2 _.4

Concentration (10"_-6 mol/rn*_:3)

t,": ...... _) _I: '23_tt ........ _... ,:.. r ,I l.r, I "li , '_' _

i_ 1' l_tli C ,¢.,. I U _.,Ullb_-_ll bL d,t, lUll IUI.' bl I_, _111 |1311 | tEt-I 111111" b[l'll 111_ p |'U L)I{_.| | I •

2,8, STEP EIGHT: RUN OUTPLOT 53

0 STOP

7 PLOT CUNC VS ELEVATION VS TIME (3-D)

8 PLOT CONCENTRATION VS TIME

ENTER CHOICE:

Enter choice 0 here and the O[ITPLOT main menu will appear.

OUTPLOT MAIN MENU

O. STOP

ENTER CHOICE:

We now have ali the plots we want defined in OUTPI,O'I_,PI)V, t,h¢.,plot-definition file, You ¢1on(_tneed to know what OUTPLO'I',PDF looks like for this exmnph.',, 5ul. ii' you are illterested, ii, is

presented in Figure 2.12.

But we do not as yet, have any plots. To produce the plots, we must first, produce a graphics-driv¢_r ti1¢_.The graphics-driver file contains the actual commands thai, tell a colllputer-gral_hics tie.vice tlow I,o

draw the plots, A graphies.-driver file is created wh.en you enter choice 4. (Sonic insta.llal,ions will m_tproduce a graphics-:lriver file, but will produce these plots ,,li the user's terminal screen.) So enl,(:rchoice 4...

ENTER CHOICE: 4

TOSPAC asks for a llame for t,he o_Jtpul, graphic.s file...

ENTER OUTPLOT GRAPHICS-DRIVER FILE (DEFAULT=OUTPLOT,DRV):

Select the defimlt. 'Ii'lm DtW extension refers to the fact that this file is a graphi(-s-d(_vice driver. You

cannot read this file; only a computer-graphics device can.

TOSPAC now reads the plot-definition file. The plot-data tile nam(:,s were not entered whel_ w,_ defin(:d

the plots, so TOSPAC _sks for them now. First,, TOSPAC, asks for t,lle STEADY plot-ria.ta fib!,..

STEADY PLOT SECTION

ENTER STEADY PLOT-DATA FILE (DEFAULT=STEADY.PLT):

54 CtlA P'.l'I:3_,2, PRIMI_'I_,

*** TOSPAC OUTPLOT PI,OT-DEFINITIOII FILE ***

*********_* STEADY PLOT SECTION ******¢*****

**_*********** b_-'.SHPLOT BLOCK **************XAXIS LI[; ELEVATION AXIS TYPE

XLIbIITS DEFAULT,DEFAULT ELEVATION AXIS I,IN_ITSBOX DEFAULT bIESll POINTS PER BOXNUMBER DEFAULT MESH POINTS PER LABEL

********'**** VELOCITY PLOT BLOCK ****'_*******XAXIS LIN ELEVATION AXIS TYPEXLINITS DEFAULT,DEFAULT ELEVATION AXIS LIMITSYAXIS IIEGLOG VELOCITY AXIS TYPE

YLIblITS DEFAULT,DEFAULT VELOCITY AXIS LIMITSLEOE}]D NONE LEGEND LOCATIONPLOTTYPE _[ATRIX VELOCITY TYPE_{ODE MULTI PLOT blODEORIENT PORTRAIT PLOT ORIEIITATION

************* TRAILS PLOT SECTION ************

************* RELEASE PLOT BLOCK ************YAXIS LO(] RELEASE AXIS TYPEYLIbIITS DEFAULT,DEFAULT KKI,EASE AXIS LI_ITSXAXIS LIN TIME AXIS TYPE

XLIbIITS DEFAULT,DEFAULT TIb[E AXIS I,IMITSLEGE]ID DEFAULT LEOEIID LOCATIONPLOTTYPE BOTH PLOT B{]TH ACTUAL AIID CU_[ULATIVE CURVESRELEASE MASS PLOT RELEASES IN TERRIS OF _IASSBOUNDARY BOTTObl PLOT RELEASES FRO_I BOTTO_ BOUNDARYMODE SINGLE PLOT MODESPECIES, ALL PLOT CURVES FOR ALL SPECIES

******'*****¢*** 3-D PLOT BLOCK ***********_**PLOTTYPE bIATRIX PLOT bIATRIX CONCENTRATIOIIVIEW 125.,75.,340. VIEWPOINT LOCATIONZLIMITS DEFAULT,DEFAULT CO_ICE]ITRATION AXIS LIMITSYLIbIITS DEFAULT,DEFAULT ELEVATION AXIS LINIITSXLIblITS DEFAULT,DEFAULT TItlE AXIS LII,IITSNUbIX DEFAULT NUMBER OF TIME LINESNUbIY DEFAULT NUNBER OF ELEVATION LILIESSPECIES ALL PLOT CURVES FOR ALL SPECIES

*._"************ CVSE PLOT BLOCK ****'_*_******_:PLOTTYPE bIATRIX PLOT blATRIX CONCENTRATIONb!ODE bIULTI PLOT _IODEORIENT PORTRAIT PLOT ORIEIITATIONTAXIS LIN CONCENTRATION AXIS TYPE

YLIMITS DEFAULT,DEFAULT COIICENTRATION AXIS LIMITSXAXIS LIN ELEVATION AXIS TYPE

XLIMITS DEFAULT,DEFAULT ELEVATION AXIS LIMITSSPECIES AI,L PLOT CURVES FOR ALL SPECIESSNAPSHOT i SIIAPSHOT TO PLOTSNAPSHOT 2 SNAPSHOT TD PLOTSNAPSHOT 4 SNAPSHOT TO PLOTSNAPSHOT 7 S_APSllOT TO PLOTSNAPSHOT 12 SNAPSHOT TO PLOTSNAPSHOT 17 SI.;APSHOTTO PLOTSNAPSHOT 18 SNAPSIIOT TO PLOTSNAPSHOT 20 SNAPSHOT TO PLOTSNAPSHOT 23 SNAPSHOT TO PLOTSI_APSHOT 28 SNAPSHOT TO PLOTSNAPSHOT 33 SIlAPSHOT TO PLOTLEGEND RIGHT, BOTTOM LEGEIID LOCATION

Ii'igurc 2.12: OUTI:'LO'F plot,-d,_finition file for t,he simplified mill-t_xilings prol)lcn_.

2.8, S'.I'EP LI(.,III: R.UN OIVI'PI, OT _'_

,lusl, selecA, t,he default, (we used l,he default, plol,-dai, a. file llaIlle ba.ck iii Sl.ep li'our). '.l'llel, surl_rise!'I'OSF_AC asks l,he. same t,h ing ;!tga,in, ,,

'I'he. OU'I'P[,OT nloclulc'. <'mlplol, t,lle resuli,s frol,I sew:ra, l S'I'I!".,AI)Y fulls ou a. si,gle plot., so, ii, a,lio,,vs

you Lo t-mt,or tlle flames of sever_l I)lot,-clata. files. Wt, ouly haw: oIle l)lOt-dal, a file, aud v.,,e lla.w.: alr_a, dyeni,ered il,s lla,lne, so now we wa,ul, t,o e,ill,,.'r NONE, l,he del'aull,.

'I"OS'I_AC, begins 1,o ('re_'t,e l,]le grt_phic.s-drive.r file., 'I'tle followiug lllessa.ges a.ppem' on your l,el'Illiria,]

screen. At, t,his l)oirll,, ibr soIIle insi, a,llat, ioll,.'sof TO,SPAC,, t,he. a,cl, u_l plot,s will a,l>l_e_r on {.lie use.r'sliermilltt.l scree_l. Iu t,hese. cases, af'i,er t_ I)loi, is <.lr_wu, ii, will rellla.iu o_l t,he sc.reell ullt, il l,lle user _,tll,t.'I's

a. <C'I{.>. 'l'he ric:xi, plot, will Lhen be dr;_wu,

CREATING MESH PLOTS,

CREATING VELOCITY VS, ELEVATION PLOTS,

Wltt:rl 'I.'OSPA(: cot, es i,o t,het, ra.tlsport, plol,s, ii, asks for l,lle 'I'F_,AN,'q ploi,-da, l,;:_file...

TRANS PLOT SECTION

ENTER TRANS PLOT-DATA FILE (DEFAULT=TRANS,PLT):

Aga.iu, .jl_sL select, Lhc defallll, (we used i,llt! <lefault, plot-data, file _:_: 1)a,ck il_ _i.ep l"iw,).

CREATING RELEASE PLOTS.

CREATING 3-D CONCENTRATION PLOTS,

CREATING CONCENTRATION VS. ELEVATION PLOTS.

NORMAL OUTPLOT TERMINATION, 5 PLOTS PRODUCED,

Now l,he OU'I?I_i.,O'I ' l_utiu _l_e.n_ rea.l)l_t,a,rs on your l,emfiua.l screel_ for l,t_e f'ouvl,l_ t,i_l¢,,

OUTPLOT MAIN MENU

O. STOP

4, CONSTRUCT GRAPHICS-DRIVER FILE

ENTER CHOICE:

We t_re fiuished. 13nl,er choice 0 a,ud i,he 'I'OSPAC', _ut_i_ n_c',nu will al_l)ear,

Eut, er choice. 0 I,o Lhc TO,.SPAC, main meuu a,ud l,llis sessiol_ t,er_il_a.l,es.

56 CHAP'I'I_R 2, Pt_,IMI!_R

2.9 Step Nine: Finish

Send t,he iile OUTP1;O'I',I)IW l,o your comput, er-graphics device. ()U'I'I_i_O'I?,I)IW is t'orznat,i,ed t,o beread by a specific compul, er-graphi<:s device that was specified when TOSPAC was installed on yourcomput,er syst,em, li'or the system that is used by the authors, l,he. command used to plol,0 UT P LO'I', I) RV is as [bllows.,.

$ IMPR.IN7'/IMI_R[;_S,b _ 0 UT'PL07'. DI¢V

After OU'I'I:_IX)T.DIW has been sent t,o the your comput.er-grat_hics device, you carl fetch t.hehardcopy of [,he plot,s and congratulate yourself!

Chapter 3

EXAMPLE PROBLEMS

This chapter contains a (lescription of two example problems and a discussion of how Lo.use '['OSPAC,to solve each of thena, 'l'he IirsL problmn concerns transient water flow and illustral, es the use of I,heI)YNAMIC, S module of TOSPAC. The second problem concerns steady-st, ate water flow withcontalninant transport; this repository-scale problem is taken from Volume 1, and illustrate.s the use ofthe S'I'[,;ADY and TRANS modules,

The eml)basis in i,his chapter is on transforming the problem for input l,o TOSPAC and exanlining theouLpul,, There is liLt,le discussion of the mechanics of Lhe computer-terminal session involved ill tilecalculation, Chapt, er 2 contains an example of a terminal session,

3.1 Simulation of a Laboratory Imbibition Experiment

The I)YNAMIC',S module of '['OSPAC can be used to simulate the following lM)oratory eXl)erizlw,lt,A section of dry drillhole core is supported above a pan of water so l,hat only the bottonl face. colltactsthe water, The sample imbibes water, Periodically t,he sample is removed and weighe(t, lt is of interest

to simulate l,his process in order Lo deterlnine whet, her the computer mo(tel and inptit data can beextrapolated accurately to processes of this, and perhaps larger, size, Figure 3.1 shows a_l illustrationoi" the experiment, al setup and how the set,up can be envisioned for input inLo 'rOSl'AC.

To simulate the experiment, we assume one-dimensional flow upward through the sanlple, 'l.'lten wecreate one "geologic llnil,"-------thepiece of core .......and assign it material prol)erties nleasllr(.'.d fron_ a verysmall sample (apl)roxima, t,ely 1 cma in volume) taken from the same sLratum, The Inaterial prop(:rtiesare taken frorn sample BB#10 on page 1S,33 or KlavetLer and Peters (1.987),

lt, should be noted that these saturation and hydraulic-conductivity (turves (:oxlle frolll measurententsmade by drying the sample: they are "drying curves," The inlbibition experiment we wallt to simulate

is a wett, ing process, Typically, drying and wetting curves for a material are dilferent (ali effecl calledhyst,eresis) and we can expect differences because of il,.

_l'he calculational mesh assigned to the geologic unit has 150 cells (151 mesh points) in threesubmeshes, The 5O cells near the bottom are 0,08 mm tall; the next 50 cells are 0,4 mm tall; the final

58 (..]HA iYl"t!;I{. 3. t,JXAMI_LIq PI{OBLEMS

EXPERIMENT SETUP TOSPAC SETUP

...................................i!ii "ro - - q = oIi..J__

lc= 6.2cm _ EVAPORA-

i::i:: WIDTH TION

I1 THROUGH

,, THE9.4 m SAMPLE 1-DCALCULATIONAL

!i11 LENGTH _ 50CELLS MESHiii SAMPLEIi/ii INITIALLY 0.094m

!1 DRY _'-INn'IAL CONDITION

_ -2X104PRESSUREHEAD

50 CELLS (~4%SATURATION).,I

lr 50 CELLLBOTTOMBOUNDARY

SUPPORT tg= 0

I;'igtlre 3, l: li;xl>erirltel_t,al s+fl,up a.nd 'I'OSI'A(.I set,ut) for (,he lahorat,ory ',=lfl+ibitiotl eXl',eriltmnt,,

50 c_lls are 1.4 Inlll t,all, lVlorc._Irlesh point, s are local,cd near l,he I>ot,t,oz._lof the sa.lllple b_cm,se there are.

very sl,,'cmg I_re,ssure-he, a_l gra¢lients in t,his region whell the simulatioll be.gins, and t,l._ =lmsh spacillgl_nlsl, I_e fiJ., for t,tle difference equations to bellaw', likc, t,h<:differential equal, ion. (More, nlesll poillt,st.ypically lead l,o muctl longer c.o_llt:_ul,er-processiilg tinles; llowew:r, I)YN A M ICS uses a direct,

l,ricliagollal-lnat, rix solver for l,he linear ,,-;ysl,e.ln l,hat ii, defines, and il, is relatiwdy efficient).

'.I'1.: ut:,l_c_rbc',llnclal3' conditiorl is zero flux, i.e,, no wa.t,er is e.xiting t,l=e top of the stm-ll)le.. (Wa.ter w.q_orcould escape t,llro.gh (,h.e (,op s_=rfa,ce, but 'I'OSPA(?, does not simulate vapor (low.) The lower

bo=_ndary condition is zero t_ressur¢: hea.d, i,e,, the "wa,t,er tabh:;," 'l'hese boundary conditions renmincoast, n,nt, t.hroughout, the sirnulal, io_.

TOSI::'AC t,ra,nsienl,-flow i)rol_lelns _rmst, present resull,s al, user-deflned t,inms (prot:,h::_ 1,i_es), ca, lied

l,inm snal:)shots, itr order l.o _ncmitor l,he flow (_lynan_ics. The tithes of the t,in._ snapsliol,s are selected by

experience. A rough guess of the. imbil:_itic, n t;i_ne seal. ca_l t',e made by dividing t,l_e let_gt,h of l;he.

stm_l_le, by tlm w.:locil,y of l,he wal,er. An estilnate of the velocity can be l_mde by assulnil_g a u_it headgradient (which in a. saturated sa, mple with gravity as tlm driving force, nmke.s t,t.-: flux equal t,o t,he

' sal, urat, ed conductivity) and dividing it by the. porosil,y, In tl_is case,..

I = 1(,

wlmr_:, I is (,iI_e., n is porosity, 1 is t,im hmgtJ_ of the. sm_q)h.'., and K, is t,he sa,t,urated c(m(t_ct, ivity.'I'l_is tilne is divide(l by an appropriat,e m_nber of t,ime sna, I)shot,s, ()ther methods can I.m devised.

3,1, SI._I[ILA'I'IC)N OF A 1.4BOtC._TOtfY IMIHt:IITION EXI'I_;HIMt';N'I ' r,i9

The initial condition is a dry sallll)h-_. A dry s_llple is a para,hJx. 'l'o/alb' ,try itllllli_'s I,_ watt'r, wl|ich

is typically loss than t/l|_-,cstimato_l residual saturation. In 'IOSi'A(!, Ill,' saluratiou in calculat,,d t'rollL

the pressure head using the nmt,erial-t_roperly data, and t.h_|s, lh_. saturali_,ll taillight I,,' less tllan rh,,residual saturation of the _nat_"rial. Also, totally ,Iry ilnpli_',,, ilo hydraulic ct,Jlduclivit.y (ll_, tl,,w

t_c,ssible), lmleod, the drier t,he smnpl,' is, .tlw gr(,aler th_, Im,ssur_:,-ll_.a_l gradi_,lJls, al_d tJ_,. Ill,,r,'

difticull it. is t()sc, lw_ the prol_h'n_ ml_,,rically. But for I,lw i_a_,,rial I|v,t|',)l_)gi_' l>r(..,i)_,r_i,'sus,,,l iii l l_i_

example t)rot,h_n_, the imbibilio_ ral_: is r,,lati,,_,ly imh,l>,'n,D_ of _h_, ini'_.ial salurmioll (a ti_(li_g ba.,_,.,I

oa computer simula/.io_). With this itri'ordinations, w_,will a.ssig_ a.,_an i_ilial coudilio_ _.,v,,ry l_,w

pr_.ssure he_,,d, -20, 0(10 _n, which c_,rr,sl,Omls io a .,_aturat.iol_ _)[' al,l,roxi_al,,ly .I_Z. fi_r li,is ,_,a_,,rial,

The I)YNAMI(_'.S input-data file for tills exau,l'h' f,r_l,h.,_|| i:.;giw,_ i** I"i_ur_, 3,_. 'l'his i l,lmt-,la_a lib'

can he created usingth_, INI)A'FA _nodulvof'.[7)Ni'A(',a.sdescril_.d i_, ('hal._h,r 2. I_ IN J)A'I'A l l_' us,,rcan either nm_w this til,:, or accept the d_fault _a_w, I)YNAMI('S.i)A'I;. N_,lic_, l]lal ltir' ill[)lll [)r_,l}ll_l....,

given in INI)A'I'A correspond al_osl, exactly _, 1.1_' data layou_ i_ tl_e i_l_t-data til,', s,_ that v,'itl_Figure :1.2, recroali||g this inl_Ut-<lata lil_, is trivial. 'l'l_is i_l,U!-data til,' cal_ a!s_ I,,, cr,,a_,'d usi_,g I1_,,user's U, xl edit__r. S_,clion .t.7.i d_,sctil,_;,s tl_,, fi._r_at <,t' a_ iul,Ut-data fib,. Also:,, _.cli,_-l._ c,.:,_lai_ ,_

d_,scriplic',n of the inl_ut-data requir_,_,'_ts.

\.Vh_'n the I)YNAMI(_,":, ini)ut-dala tih' giv_'n in t"igur,, 3.2 ,,xi,_1s, ii|,' us_,r ca_: _,x,.cut_, lhis ,,xa_l,l_'

problen_. First, _,h_ us_,r logs o_t.o t,t_' co_put._,r a_d runs 'I()Si'A('...

$ R l:N 'I'O,_,'PA C

TOSPAC VERSION' I.10 MAIN MENU

0 STOP

1 INDATA

2 STEADY

3 DYNAMICS

4 TRANS

5 OUTPLOT

ENTER CHOICE:

The user selects choice 3 aud r,l,c,'iv_.s tl_c' followi_g _u,,ssag<, alt_l l,r_>,_l_l t<_ I_at_l,' tl,_, i_l,_-dala iii,,...

TOSPAC MODULE DYNAMICS

ENTER DYNAMICS INPUT-D._TA FILE (DEFAULT=DYNAMICS.DAT):

If the I)YN A.M 1( '.,%."tnoduh, can find the iuput-dal a lib,, it. clwcks to s,,,_ ii" it _'_,_ ;tills _, Iii,' t,h,:'k wit I_

t,he ua_nes of tlw initial-cc, nditio|| file and t h_, Ollt])|ll til,'s. 'i'll,' inl,ut-,tata lid i_ l"ig_r,, :1.2 d_,,'._contain a filo bl<_<,kI._t, if it. did m:,t, 'I'()%PA(' x,,'o_ld i,,_su,' lh<, f<>ll,,x,,'i_g I>r,.,_ll,_S, .

EN'rER DYNAMICS INITIAL-COnDITION FILE (DEFAULT=STEADY.PSI):

E_TER DYNAMICS OUTPUT-LISTING FILE (DEFAULT-DYNAMICS.LIS):

ENTER DYNAMICS PLOT-DATA FILE (DEFAULT-DYNAMICS.PLT):

Continuing with the e.xamt,l,' problem,s, '.['()SPA(" indi,'ates _t_at it is r,,a,]i_.,; rh, iul_Ul-dala til,' a_d

creating t.he output fil_s l.is¢_'d in the file Idock...

60 CttAPTEt_. 3. EXAMP1,E t ROBI, EM,5

')** TDSPAC HYDRO INPUT-DATA FILE **** _t * * (, ._ * (, W)_t * * ** (, W,w)W,* * * WL.,) _ _ _ ** (,_) % *_)* $* _.*

*'_**''** TITLE BLOCK *,,**_'*_*INBIBITION EXPERIMENT EXAHPLE

*(*'*)*_** COI_STAIITS BLOCK **,*****,)**1000. kg/m**3 DEI_SITY OF WATER4.3E-6 /m COI.[PILESSIBILITY OF WATP._0.003 m*)2 CRDSS-'SECTIOI_AL AREA OF COLUMNO.i TII4ESTEJ_ FACTOR0.6 I),IPLIC ITI!ESS FACTORBOTTOM GWTT START POSITIONTOP GV.'TTKInD POSITION0 TI),iE SNAPSHOT FOR _START

**')***)* GEOLOGIC-UI_IT BLOCK ,**,'*,**I # GEOLOGIC UNITSUNIT # 1 ...NA_IE:BB#10

O. m l,IlI_ELEVATIO_0.094 m bIAX ELEVATION1 MATRIX HATERIAL INDEXI FRACTURE M_TERIAL II_DEXO. FRAC :.,JREPOROSITY5.8E-7 /m BULi_-,RDCK COV_RESSIBILITYO. /m FRACTURE CO_IPRESSIBILITY

***',* BOUNDARY-CONDXTIO)_ BLOCK '*.********, MATF_IAL-PROPERTY BLOCK *'_***( 12 # TIIJ_ SNAPSHOTS: # MATERIALS I TI),_ CONVF_SION NUNBEA_IATEAIAL # I ,..IlA!,_: S)_APSHOT # 1BB#10 (Klavetter _ Peterl. SA_DBA-O286) O. a PROBLEbl TI!,_O. !I I,iAT_IIAL EFFECTIVE POROSITY 12 BOUI_DARY-COI_DITIO)_ FLAG2 CHARACTERISTIC CURVE FIT O. m LO_'ER-BOUI_DARY PILESSUI_EHEADI. TOTAL SATURATIOI_ O. m/_ UPPE_.-BOUNDARY FLUX0.0194 I_F,SIDUAL SATUI_ATIOH O. m }4AX PO_D H_IOHT0.0227 /m AI,PHA COEFFIECENT SI_APSHDT # 21.624 BETA COEFFICIENT 60. _ PROBLEM TIl_5.3E-12 m/_ SATU_:ATED HYDRAULIC CONDUCTIVITY O0 BOUIIDARY-CONDITION FLAG

SICAPSHOT # 3,,,.,,(,,_,, ),CESHBLOCK **,,,,,_,*,* BOO. _ PROBLEM TIME150 TOTAL # CELLS O0 BOUNDAP_Y-CONDITIOI_ FI..AO3 # SUBMESHES SNAPSHOT # 4SUBI,IESH # 1 6000. ,_ PROBLEM ?I_4EO. m /.,O!_'ERELEVATIO!_ O0 BOUNDARY-CDI_DITIO}_ FLAO0.004 m UPPEI_ ELEVATIO}I S)_APSHOT # &

50 # CELLS B6400. _ PROBLE_ TIICSUBI/.ESH # 2 O0 BOUI_DARY-CONDITION FLAG0.004 m LDYER ELEVATIO!/ SNAPSHOT # 60.024 m UPPER ELEVATIO)I 604800. _ PROBLEM TII4E50 # CELLS O0 BOU);DARY-CO)_DIT_ON )?LAGSUBMESH # 3 S)_APSHOT # 70.024 m LOV,T.E ELEVATION 2592000. a PROBLEM TI)4EO,OgQ m UPPER ELEVATIOI_ O0 BOUnDARY-CONDITION FLAG50 # CELLS SNAPSHOT # 8

51B_O00. _ PROBI,E)_ TIt4EO0 BOUt_DARY-COI_DITION FLAGSNAPSHOT # g7.88g400. _ PROBLEM TINT1O0 BOUI_DARY-COND ITION FLAGS)_APSHOT # I016778800. # PROBLEM TI_4EO0 BOUNDARY-COh'DIT ION FLAGSNAPSHOT # II23688200. s PROBLE)4 TII4EO0 BOUt¢DARY-COND ITION FLAGSNAPSHOT _ 123%557600. s PROBLEM TII4E

**,,,* IIIITIAL-COIvDITION BLOCK ,,,,**3 I)_IIIAL-CONDI'IIO)_ FLAG-'2.0E_4 m INITIAL PR.ESSU_E F_AD

,'*.*,,,*,,, fILE BLOCK ,_,,,*,,,,*,*140)_E INITIAL-CO)_DITIO){ FILEEX2DY]_A)._ICS.PLT PLO_-DATA FILEE_{2DYNAMICS. LIS DUTPUT-'LISTII_G FILE1B OUTPUT-LISTING COI_TROL

| Fig,tire 3.2: DYNAMICS input-data file for the imhil)it.iot_..cxperi_ent _imuhition (i_, two c_,lut_ms).-!-!

3.1. SIMULATION Of'A LABORATORY IMtHBITION EXPEItlMENT 61

READING INPUT-DATA FILE DYNAMICS.DAT,

CREATING DYNAMICS PLOT-DATA FILE EX2DYNAMICS.PLT.

CREATING DYNAMICS OUTPUT-LISTING FILE EX2DYNAMICS.LIS.

Then DYNAMICS begins thecalculat.iosl, writ, if_g sl,;du_inessagesiot.llet.ern,inalscreeit...

INITIALIZING VARIABLES...

BEGINNING TRANSIENT FLOW CALCULATION.,.

SNAPSHOT i.,, TIME(SRC) = O.O0000E+O0

ITERATION = 1 STEP(SEC) = 3.25833E-05 TIME(SEC) = 3.25833E-05

ITERATION = I0 STEP(SRC) = 1.25184E-03 TIME(SRC) = 3.69040E-03

ITERATION = 20 STEP(SRC) = 7,21876E-02 TIME(SRC) = 0.21650

ITERATION = 30 STEP(SRC) = 3.5944 TIME(SEC) = 11.875

ITERATION = 37 STEP(SRC) = 1,5151 TIME(SRC) = 80.000

SNAPSHOT 2,,. 'rIME(SEC) = 80,000

ITERATION = 40 STEP(SRC) = 5.1136 TIME(SRC) = 70,795

SLOW CONVERGENCE,,.

REDO IT = 48 STEP(SRC) = 22.045 NEW STEP(SRC) = !5.431

ITERATION = 50 STEP(SRC) = 15.431 TIME(SRC) = 222.88

ITERATION = 2282 STEP(DY) = 22.808 TIME(DY) = 182,63

SNAPSHOT I0,,, TIME(SEC) = 1.57788E+07

ITERATION = 2285 STEP(DY) = 6.5310 TIME(DY) = 273,94

SNAPSHOT II.,, TIME(SEC) = 2.38882E+07

ITERATION = 2290 STEP(DY) = 11.715 TIME(YR) = 1.0000

SNAPSHOT 12.., TIME(SEC) = 3.15576E+07

NORMAL, DYNAMICS TERMINATION,

Notice that, DYNAMIC.S has diflicult.y cotiw_rging (.c,a solution at ii¢,rati¢,n _I(_.,":,lowcowlw'rget_ce (lllore

than t.en Newt.on sttbit<'ra,tiorls) is a sign of llumerical itlslal>ilit.y.Atlot.l,er sign is whell t+hc'atlt.otllatict.imestep toni, roller calculat.es a sigt+ificamly sttmAler tj|nest.ep (h,,ss thatl one-halt" the i+r¢,vious

t,iIllestep). Irl both case,,;,I)YNAMI(J',S deals with t,he prohl,+l_l by r<_,,'<+rtillgtc> tile cotlditions al. |.lte

t irlle of' t_he previous it,erat.ion, calcu+at.ing a slllaller t.ill_t'st*'p, and l hetl taking t.ll<_Jlew t iJcJ<,s_¢.p. 'I'l_is

proc<,ss is repeated until cotldilions :+t.abiliz,... lt d,.._es jtot, it_ply that+ t.h_, r<'sults ar<' inaccurat,+.

DYNAMI(.',q t;_kes 2290 timest.eps (approxi_ti;._t,ely eigllt, rainout.es <m a VAX _70(.1)to finish this _.xal_ll>le.

Upon compl,_t.ic, t_, t t_e us,,.r is r,..,t.urued t,o t.h,' T()SI"A(: SIIE:I,I, al_d l:he 'I'(),";I'A('. _ain _en,._.

Fig_lre 3.3 present, s part of |,he I)YNAMI()S out, p_t-list.ing file thai wa.s creat,ed for |.heirnbibit.ion-experir_ent, si_nulat, ion. Sect, ion ,1.7.7 cot_t.ai_ts a ,tescrip/.iot_ of the for_nal, oi' the I)Y NA ._.11(IS

output.-listing file. Shown in Figure 3.3 are a part of the i_titial co_dit.io_s anti the results of the t.i_,'

snapshot.s at. 1 day (84,(_00 sec) and 1 yr (31,,577,600 sec) it_to |.he simulation. The inil, ial-condit.iot,s

sect.ion begins with t.he average column sat, ural.iota, t;he vc,lu;_,, of t.l;,' v<,id spat{,, the volurue occupied| ...... ,* - | I .. . ". . . I _.l .... P .... ¢. . ". ,_| _. | tI'| I . , .11........ l:,_; . !, I ¢1

U)' Y'I'_U'_-"I ¢?_lltl |.),y t"ll.I ,, ¢111%.1 bil_.:" Iilt"_,'_ 13'1 YV¢II.,_;I iii Ullt.'. %..tJIk_lllil, I Ilt_ I)%-)|1|1_.1¢11) ' kt)lllllUl_.)ll_ Illl}_t)_t'_tl t%[ |,l|t"

it_it,ial timest.ep are presented next.. Followhag i_; a table of calculated hydro!o,_._ic variable,s g;iven ar

62 CItA PTEI{ 3, t:;XAMPLE PROtILEMS

select, cd x,lesh points. (Selecl,ioll of lslesh point,s is c.oni,rolled by (.he oU_,l:)uC-lisl,i,,g-cont, rol p_ra.I,lete.r inlJ,e file block of t,he illput.-data, file.....Sect.ion 4.2.11. In l,his c.a,se, out,put for ew.'ry fifteenth _l,esh point.is specified.) Ali wdues _re giver, i. (.he u.i(.s used i. the c_dcula_ion; in t,his ca,se, unSI its. The

t.i,ne.-su_psl.ot,s sect.ions a.re org,anized si.,lilarly t,o (.he ini{,ial-coudit, iol,s s(_c'.t,ion, with two exceptions.Fir.si,, (.he re,sull,s of a .r._ss-h_da, nre calcul_ttio.,s a,re included after {,I.e.t,ot;tl-wa,t,er-nmss wdue. 'rhe

,na,ss baJ;tnc(_ cot.tpa.res l,he _tcl.ual nmss of wa,ter i. tJ,e colunu, wil.h wh_t/, l,lle .nass should be giw.m, t,hech_mg,es at the bou,,(lari(,s. Ii, is a measure of the _ccur_tcy of the c_dcula,l,io,l. S_.cond, the resull, s of a,

groundw;.Ll.er-l,r_vel-t,in,e ((,\,_, I i) calculat, i(m _u'e included ;d't,er the hydrologic v_ri_dfl_.'stable, 'l'heGW'H' ca.lcul;ttion is })ased on tracking waLer particles. A parLicle is relea.sed al, ew_ry t,ime sn;q_shol,_md is l,r;.trked betweeu 1,wo I)osii,ions specified in t,he con.,sl,_rlt.,sblock of l,he il,puL-dal,;._,-tile(Seci, io_ d,2.6), 'l'he pa,rt,iele is t,r_cked usin_ t,wo ditferen(, algoril,h_ns: l,he average-f_st, esl,-l)arl, Jcle.m<_tl,od co,_,put, es I)_rt.icle posit, ion us{n_ ell,her (,he velocit,y of wa.t,er in ch<_mal, rix or }u the fra_cl,ure.s,defending (m which is fa:_i,e.r;IJ',e composit,e-velociLy ,net, hod uses Lhc a,rea.-weighl,e.d ave.rage of l.,hevelocil,ies in l,he _,mt,r{x and in l,he fra.cl,ures. The aw_r_tD_-fa.st,e.sDp_ri,icle reel,hod _-_pt)roxim_l.esaworse-case C_W"Iq). 'rbe co_,_posit,e-veloci(,y ,he,hod more closely _q>proxi_nal,es GWTT in ,nedi_ l,h_l,allow nm.t,rix diffusion. (;WT'i _is discussed further in Sections 3.2 n.nd 4.6.3.4,

In Figure ?,.3. t.he iuit,i_d a,w!:ra.gecolunu, sat.ura,t,ion i.,._sligh_.ly more t.ha.u d%; a.fter 1 da,y ii, is_q_t)roxin_l._dy 14%; after 1 yr il, is virl.ually oue. The tol,a,I void spa,ce wit,bin 1,he column is

al_l_roxi_nal,ely 31 c.n :_ (or 3.1 x 10-s m :_in t,he unit.s used in l,he calculaLiou). Init.ially, _,he wa,_,eroccupies approxima, l.ely 1.3 r.u :_of t,he w)id spa,ce and _ir occupies approxi,r,_,t.eiy 29.7 c.n :_, After1 clay, _,1,(_wal.er occupies _l)t)roxinml,(dy 't,5 (:m:_a,nd air oc(:ul)ies _._pl)roximate,lv '_ ' t:.,6..) ('m:_ afi,ar I yr,t,l,e w_.t,er o(!cul)ies almost, (,he ehf,ire void st)ace, init.ially, the t.oLal wa_t,er _,m.ss.... t,he a_,_(,uni,of water

_:_ctually calculated to I)e in t,he colu_,m .... is 1.3 g (0.0013 kg); al't,er 1 day ii, is a.l)proxima.l,ely 4.,5 g',a.fter 1 yr ii, is _)4)proxin,at,ely 31 g.

Al, {,he l-day _-u.d 1-yr l,ime snapshots, (,he amount of wal.er crossing the _,op boun(ta.ry is very s.mll;tl._ ,,,_.ss ga.in is caused by wal.er entering t,hrough (,he bot,l,o.n boundary. At, {.(lay, t,he difference

betv,'(_.(_'n_,11(_n'.ass l,h_t is in (,he colu,nn a.,_d t,he ma_ss l,hat, sh()uld he in the column is apt)roxima, l,ely't%; at, 1 yes,r, the (lifference is a,ppr(_.ximately 1%. These differences a.re caused by inaccur'.._cies iucn,lculal,ing Ihe bot_n(lary condit, ions a,nd i. solving the diff(_ren('e e<lua,t.ions. The ma.ss ba,l_mce isac('el)ta, t)ly s_nall for such a. nonliuea.r problem.

'I"he i,abh, of hy(lrologi(' va_,'iables for the. inil,ial con(iii.ions shows _ ('onsta.nl, pressure I,ead of-_0,0()0 ,n. 'l'{,_re is a v,_ry srnall flux and velocii.y downwa.rd hecanse _ consi.a,,t, init,ial pressure hea({under the f(,rce of gravity causes water m,:)vemenl,. Ai. l d_-_y,al. the Lop of Lhc (:olunnl, |,he flux ha.sI)een sel, to a m{mtl)er sulfici(mtly (:los(; to 0 for Lhc pr¢,.(:ision of i,he VN/IN|'()I_J.I_I_,AN.At, Lhe.boLl,ore of

l.he r()l,llf|_|, |he pressure hemt has bean set, exa,ci.ly l,o 0 a,n(] l,h(_pressure-head pulse (_xi.ends I)_r_I.meshpoint 60, ouly about, 7.6 mm inl,o the samph,_. (At, ot,he.r tin,e snapshot,s, t,l,e flux and (,he wa.t,er velocitycan be se¢,n 1.(_ext.eud s(.)m(_whaChigher into t.l,e colu_nn t,han t.he pressure head, t:)ecause t,hey arecalculated by pressure-he;.t¢t difference across Lhree rnesh l)oinLs.) Al. 1 yr, flow in the co]llnlnat)l,'..a.('l_es zero ew_rywhere {)ecause t,he infl)ibit}on ha.,-;co_nple_.ed.

(',W'l"r i,,forn,ai, ioa is give,, i,, two t,al',les; o,e (al)le for _.,he,avera_ge-fa.stest-part.ich:., n,et.h()d, the ()t,herfor ('onq)osit,e-velocil,y r_{et.llod. In Lifts example prol)len_, without, fr_ct, ures, I)oLh meA,ho(ls tel,urn t,hesan_e rest{lt,_. For each parLich; relea,se(t .......i.e., each t.in{e snapshot, .... (,he Lithe of relea.se (ent.ry t,in_e), thecurrent, pc,sit, ion in i,he colun_n, the curre_ll l,ime or l,he i,in,e i,b.e parLich_ l(_lrVeSi,he ("O}lllllll(('urrenl, orexit, l,ime), and t,he t,raveI time ft.he t,ime t,o g,o front t,he st.arl, position i,o t,he end position) a.re list,ed.

"rh,, t,ahl,..,_. 1 ,I.-.,y_h,-_w,__!,,_! fiw, l);.r_.icDs {:_.webe.,.mreb_r_e.!. '!'he first t!:r(.'.'_{;::-r!,ic!c:..:u'capt)roximately Icm above the lower bounda.ry; (,he fburth part, icle is approxin,at.ely 7 mm i_,l,o (.he

3.1. SIMULATION OI,' A LA I3OI_ATOI_,Y IMBIBITION EXPI,;I_,IMFNT 63

INITIAL CONDITIONS OF MESH

AVERAGE COLUMN SATURATION = 4,09562SE-02TOTAL VOID VOLUb_ = 3.102000E.-05

TOTAL WATER VOLUME = 1.270463E-06TOTAL AIR VOLUb_ = 2.974954E-05TOTAL WATER MASS = 1.270463E-03

INITIAL BOUNDARY CONDITIONS: FLAG = 12TOP FLUX = O.O0000E+O0

BOTTOM PRESSURE HEAD = O,O0000E+O0MAXIMUM POND HEIGHT = O.O0000E_O0

J UNIT MAT FRK Z PRES HEAD SAT FLUX VEL HYD COND CAPACITANCE DSAT151 i I 1 9.4000E-02 -2,0000E+04 4,0956E-02 -2 7278E-22 -I..1504E-19 2.7278E-22 9 4373E--08 6 7298E-07150 1 I 1 9,2600E-02 -2.0000E+04 4.0956E-02 -2 7278E-22 -l,1504E-Ig 2.7278E-22 9 4373E-08 6 7298E-07135 i I J. 7.1600E-02 -2,0000E+04 4,0956E-02 -2 7278E-22 -I.1504E-19 2,7278E-22 9 4373E-08 6 7298E-07120 i i i 5,0600E-02 -2,0000E_04 4.0956E-02 -2 7278E-22 -I,1504E-19 2,7278E-22 9 4373E-08 6 7298E-07105 i I 1 2,9600E-02 -2,0000E+04 4.0956E-02 -2 7278E-22 -1,1504E-19 2.7278E-22 9 4373E-08 6 7298E-07

90 1 1 i 1.9600E-02 -2,0000E+04 4,0956E-02 -2 7278E-22 -I.1504E-19 2.7278E-22 9 4373E-08 6 7298E-0775 i i i 1.3600E-02 -2,0000E+04 4,0956E-02 -2 7278E-22 -I.1504E-19 2.7278E-22 9 4373E-08 6 7298E-0760 1 i I 7.6000E-03 -2.0000E+04 4,0956E-02 -2 7278E-22 -I.1504E-19 2.7278E-22 9 4373E-08 6 7298E-0745 I t I 3.5200E-03 -2,0000E+04 4,0956E-02 -2.7278E-22 -I.1504E-19 2,7278E-22 9 4373E-08 6 7298E-0730 i I i 2,3200E-03 -2.0000E+04 4.0956E-02 -2,7278E-22 -1,1604E-19 2,7278E-22 9 4373E-08 6 7298E-'0715 I I I 1.1200E-03 -2.0000E+04 4.0956E-02 -2,7278E-22 -I,1504E-19 2.7278E-22 9 4373E-08 6 7298E'-07

I 1 i I O,O000E+O0 -2.0000E+04 4,0956E-02 -2,7278E-22 -I.1504E-19 2.7278E-22 9,4373E-08 6 7298E-07

ITERATION = 358 SNAPSHOT = 5TIME = 1.00000 DY PRV TIME STEP = 199,951 SEC

AVERAGE COLUMN SATURATION = 0.143663TOTAL VOID VOLUME = 3.102000E-05

TOTAL WATER VOLUME = 4,456422E-06TOTAL AIR VOLUME = 2,656358E-05

TOTAL MASS IN COLUMN = 4,456422E-03CUMULATIVE MASS IN TOP = -5.218003E-27 ( 1,17090E-'22_ OF TOTAL)

CUMULATIVE MASS Iii BOTTOM = 3,379988E-'03 ( 75.845 _ OF TOTAL)MASS THAT SIIOULD BE IN COLUMN = 4,650451E-03

MASS DIFFERENCE = -1.940289E-04 MASS BALANCE : -4.35392

BOUNDARY CONDITIONS: FLAG = 12TOP FLUX = O.O0000E_GO

BOTTOM PRESSURE HEAD = O,O0000E_O0MAXIMUM POND }{EIGHT = O.O0000E.O0

J UNIT MAT FRK Z PRES HEAD SAT FLUX VEL HYD COND CAPACITAI_CE DSAT151 1 i 1 9 4000E-02 -2 O000E+04 4,0956E-02 2 0131E-32 8.4899E-30 2,7278E-22 9,4373E-08 6,7298E-07150 I i I 9 2600E-02 -2 O000E+04 4.0956E-02 -I 3637E-22 .-5,7513E-20 2,7278E-22 9,4373E-08 6,7298E-07135 I i i 7 1600E-02 -2 O000E+04 4,0956E-02 -2 7278E'-22 -1.1504E-19 2.7278E-22 9.4373E-08 6.7298E-07120 i i i 5 0600E-02 -2 O000E+04 4,0956E-02 .-2 7278E-22 -I.1504E-19 2,7278E-22 9 4373E.-08 6,7298E-07105 I l I 2 9600E.-02 -2 O000E+04 4.0956E-02 -2 7278E-22 -'I.1504E-19 2.7278E-22 9 4373E-08 6.7298E-07

90,s_l i I I 9600E.-02 -2 O000E+04 4,0956E-02 -2 7278E-22 -'1,1504E-19 2.7278E-22 9 4373E-08 6,7298E-0775--i 1 1 I 3600E-02 --2 O000E+04 4,0956E-02 -2 7278E-22 -1.1504E-19 2,7278E-22 9 4373E-08 6,7298E-0760 1 i 1 7 6000E-'03 -22.49 0.8968 5 9650E-09 6.i853E-08 8.5166E-13 6 7344E-04 6.1141E-0345 1 1 1 3 5200E-03 -6,206 0.9845 6 3157E-09 5.9490E-08 2,6735E-12 4 2250E-04 3.8315E-0330 1 i 1 2 3200E-03 -3,648 0.9934 6 3326E-09 5,9104E-08 3.3028E-12 3 1541E-04 2.8579E-0315 1 i 1 i 1200E-03 -1.569 0,9983 6 3383E-09 5.8864E-08 4.0699E-12 I 8890E-04 1.7077E-03

1 1 i i 0 O000E+O0 O.O000E+O0 1,000 6 3390E-09 5,8768E-08 5,3000E'-12 I 0530E-06 O,O000E+O0

PARTICLE TRAVEL TIMES: START POSITION = O.O0000E+O0END POSITION = 9,40000E-0_

AVERAGE FASTEST PARTICLEPARTICLE EIITRY CURRENT CURRENT OR TRAVELNUMBER Tlb_ POSITIOII EXIT TIME TIME

i O,O00000E+O0 SEC 1,I15521E-02 1,00000 DY (STII,L IN RANGE)2 60.0000 SEC 1.112600E-02 1,00000 DY (_I]I,L IN RANGE)3 600,000 SEC 1,025833E-02 1,00000 DY (STILL III RANGE)4 1,66667 HR 7.868055E-03 1,00000 DY (STILL IIIRAI_GE)6 1.00000 DY O,000000E_O0 1,00000 DY (STILL IN RANGE)

CO!_POSITE VELOCITYPARTICLE ENTRY CURRENT CURREI/T OR TRAVELNUMBER TIME POSITION EXIT TI),_ TIME

I 0 O00000E_O0 SEC I,I15521E-02 l.OOOO0 DY (STILL IN RANGE)2 60,0000 SEC I.i12600E-02 1,00000 DY (STILL IN RANGE)3 600,000 SEC t 025833E-02 1.00000 DY (STILL IllRANGE)4 1.66667 fIR ';.868055E-03 1.00000 DY (STILL IN RANGE)5 1.00000 DY O.O00000E_O0 1.00000 DY (STILL IN RANGE)

_! Figure 3.3: Part of the DYNAMIC, S ou(,l_ut,--list,ing file for t,he iirJbibition-cxperinl_..nt, sinlulat,ion.

64 CIfAPTER 3, EXAMI .LE P I_.OBLEM,S

ITERATION = 2290 SNAPSHOT = 12TIbIE = 1,00000 YR PRV TiME STEP = ii,7153 OY

AVERAGE COLUbIN SATURATION = 0 999993TOTAL VOID VOLUME = 3 102000E-05

TOTAL WATER VOLUME = 3 101979E-05TOTAL AIR VOLL%{E = 2 088229E-I0

TOTAL MASS IN COLUMN = 3 I01979E-02

CUMULATIVE MASS IN TOP = "i 375805E-21 ( 4,43525E-18_ OF TOTAL)CUMULATIVE MASS IN BOTTOM = 3 001143E-02 ( 96,749 _ OF TOTAL)

MASS THAT SHOULD BE IN COLUMN = 3 128188E-02_IASS DIFFERENCE = -2 621031E-04 _ASS BALANCE = -0,844954

J UNIT MAT FRK Z PRES HEAD SAT FLUX VEL HYD COND CAPACITANCE DSAT151 1 I I 9,4000E-02 -9.4000E-02 1,000 0 0000E+00 0,0000E+00 5,0747E-12 3.3880E-05 2.9843E-04

150 1 1 I 9.2600E-02 -9.2600E-02 1.000 3 7263E-19 3,4546E-18 5.0767E-12 3.3585E-05 2.9575E-04135 1 i i 7,1600E.-02 -7.1600E-02 1.000 -4 0297E-18 -3,7359E-17 5.1105E-12 2,8613E-05 2,5054E-04120 i 1 I 5,0600E-02 -5,0600E-02 1,000 -2 8676E-17 -2,6585E-£6 5 1482E-12 2.33BIR-05 2,0299E-04105 I I i 2.9600E-02 -2,9600E-02 i,O00 -I 4347E-17 -I 3301E-18 5 1897E-12 1.7038E-05 1.4532E-0490 I I I 1.9800E-02 -1.9600E-02 1,000 £ 8603E-17 £ 5392E-18 5 2149E-12 1,3387E-05 1,1195E-0¢75 £ 1 I 1,3800E-02 -1.3800E-02 1.000 3 0525E-17 2 8299E-16 5 2322E-12 1,0854E-05 8,9099E-0580 £ I £ 7,6000E-03 "-7.8001E-03 1.000 8 0019E-17 5 5643E-16 5 2528E-12 7.9022E-06 6.2265E-0545 i I i 3,5200E-03 -3.5201E-03 1,000 8 4357E-17 7 8208E-16 5 2708E-12 5.2842E-08 3,8284E-0530 I I I 2,3200E-03 -2,3200E-03 i,O00 9 4270E-17 8 7398E-16 5 2775E-12 4,3012E-06 2,9529E-0515 i i £ 1.1200E-03 -I,1200E-03 1,000 1 0577E-16 g 8056E-16 5 2857E-12 3,1111E-06 1,8710E-05

i I I I O.O000E+O0 O,O000E_O0 1,000 i 2174E--16 I 1286E-15 5 3000E-12 1,0530E-06 O,0000E_O0

PARTICLE TRAVEL TIMES: START POSITION = O,O0000E_O0END POSITION = 9,40000E-02

AVERAGE FASTEST PARTICLEPARTICLE ENTRY CURRENT CURRENT OR TRAVELNU_ER TIME POSITION EXIT TIME TI_

1 0.000000E+00 SEC 9 225512E-02 1.00000 YR STILL IN RANGE)2 60,0000 SEC 9 225389E-02 1,00000 YR STILL IN RANGE)3 600,000 SEC g 205376E-02 1,00000 YR STILL IN RANGE)4 1,66667 HR 8 995878E-02 1,00000 YR STILL IN RANGE)5 £.00000 DY B 217153E-02 1,00000 YR STILL IN RANGE_6 7.00000 DY 6 554964E-02 1,00000 YR STILL IN RANGE_7 30.0000 DY 3 707456E-02 1,00000 YR STILL IN RANGE_8 80.0000 DY i 448047E-02 1.00000 YR STILL IN RANGE)9 91,3125 DY 2 564524E-07 365,250 DY STILL IN RANGE)

10 182,625 DY 0 000000E+00 182.825 DY 0.000000E+00 SEO WARNING11 273,938 DY £ 186435E-09 1,00000 YR (STILL IN RANGE)12 1,00000 YR 0 000000E+00 1,00000 YR (STILL IN RANGE)

COMPOSITE VELOCITYPARTICLE ENTRY CURRENT CURRENT OR TRAVELNUMBER TIME POSITION EXIT TIME TIME

I 0.000000E+00 SEC 9 225512E-02 I 00000 YR (STILL IN RANGE)2 80,0000 SEC 9 225389E-02 1 00000 YR (STILL IN RAI/GE)3 600,000 SEC 9 205376E-02 I 00000 YR (STILL IN RANGE)4 £,66667 HR 8 995978E-02 1 00000 YR (STILL IN RANGE_5 1.00000 DY 8 217153E'02 1 00000 YR (STILL IN RANGE)6 7.00000 DY 8 554964E-02 I 00000 YR (STILL IN RANGE)7 30.0000 DY 3 707456E--02 1 00000 YR (STILL IN RANGE)8 60.0000 DY I 448047E-02 i 00000 YR (STILL IN RANGE)9 91,3125 DY 2 564524E-07 366,250 DY (STILL IN RANGE)

10 182,625 DY 0.000000E'00 182,625 DY 0,000000E*00 SEC WARNING

ii 273,938 DY 1.186435E-09 1.00000 YR _STILL III RANGE)12 1.00000 YR 0.000000E*00 1.00000 YR (STILL IN RANGE)

i Figure 3.3: Concluded.

1--_i '_,,,_,;_,,¢,,_._','n_l,"_m'_',,_r',,,. ,_,....... I,_..... '..........

3.1. SIMULATION OF' A LABORATORY IMBIIH'HON EXPEI_,IMENT 6[i

column; and the fifth particle, which ha.s just been released, is a!, the lower bou.dary. Al, 1 day, none of

tile particles have reached l,he end position at, the upl)e.r boundary. 'l'he llote S'I'ILI., IN RAN(li'; is:given in the piace of a travel time.

At 1 yr, twelve particles have bean released, none of which have r_,ached the upl.mr

boundary .... although the tirst, pa,rticles are (:lose, having traveled apprc_ximately 9.2 cJJl of tl,e 9.'] tin.

lndeed, it is unlikely that any particles will reach tile uptmr boundary because of tile ,lo-.tlux ul)p_,r

boundary condition. The first and furthest particle is in the center of the inth)wing pulse, and tillspulse dissipated when it reached l;he Ul,)per boundary. One particle has, however, left the colulnn _t tlm

start position, because after l,he inilowing pulse dissipated, flow rew:_rsed slighl,ly (this tlow rew, rsalcourt be a numerical artifact). The exit time is given for this particle, ms well as a traw:.'t tirr,'_. 'rile

WARNING note indicates that the given travel time, is incorrect.

'Ib finish the example problem, several (:o_nt)uter graphs c,an be produ('ed. C',olnl)utcr plot,s are tJset'ul in

giving the user a (iuick grasp of the overall imbibition laro(:css in this prol)leln. Seleel, cll()ice. 5 inresponse to the TOSPAC main menu...

0 STOP

i INDATA

2 STEADY

3 DYNAMICS

4 TRANS

5 OUTPLOT

ENTER CHOICE: $

And TOSPAC switches to tilt: plotting module, OU'I'PLO'['...

ENTER PLO'r,-DEFINITION FILE (DEFAULT=OUTPLOT. PDF) : EX'2OUTI'L07'. PDF

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ENTER DYNAMICS PLOT-DATA FILE (DEFAULT=NONE) : E.._'2D}"NA MIC',5'.PLT'

66 CItA PTIqI_, 3, I'_XAMPLI!;" ' PI?OI:3LEMS"' '

OUTPLOT (DYNAMICS RESULTS) MENU

0 STOP

1 PLOT MESH/STRATIGRAPHY

I0. PLOT SATURATION VS TIME

ii, PLOT MASS VS TIME

ENTER CHOICE:

At this point, the use.r is directed to Section 4,6 tbr zt discussion of OI.JTI_II, OT and tile' l_lot-,lefinitic_ll

file.. For I)YNAMI(.',S plots, Section 4,(i.4 contains a description of the questions, and the me,ruing ofthe cluest, iolls, t,llt_t al.,pear when the user request,s _ particula, r plot.

Eleven plots have t_)een created for the irnbibitioil-ext)eriment ex_unl)le, one for ('_,ch of l,tu'_ c_tt,egories

listed in the OUTPLOT (DYNAMICS R,ES UI.,TS) menu. The plots are shown in l,'igures 3,4

through 3,l,5, _nd _re described below in the order they ;q)p(',_r in the OUTP[,OT (DYNAMI(:!:;I{ESU H'S) menu.

l"igure 3.4 sl_ows the nlesh/stratig_q)hy plot .......choice 1 on the OU'I'PLO'I' (DYNAMICS RESULTS)

menu. 'l.'he h.'.ft-h_md struck of rectangles represents the me.sh, with l,he horizontal lines indicating mesh

points. Note t,hat the bott;on_ of each mesh-point number aligns with the approl)rite mesh point. 'I"he

right-h_md rectangle represents the geologic unit(s) and presents the material assignments. 'File

purpose of this plot is to make certain that the calcul_-_tional mesh nlatches both tile physic_fl layout;_nd the user's intended layout, Cornpa.re l,his graphic with the illustration irl Figure a.1 to check the

mesh design.

Figure 3.5 prese_lts the curves Rtr s_l, urat.ion versus pressure tie;td arid hydraulic conductivity versuspressure head for tile section of drill core. used in the experiment,. These curves are known a.s the

char_u:terist, ic curves for the m_terial. 'l'he ('urves are specified in tile material-l)roperl,y blo(;k of the

int)ut.-dat_t file (Figure 3.2), in this case, using tile parameters for the wul (_enuchten fornmlation.

[)YNAM1CS Itses t,he ('har_cl, eristic curves of the lna.trix _md fractures to compute the conq)osite

hydr_mlic-conductivity curve and composite c(q)acit;,nce (or sl,or_tge cap_city) curve for each geologicunit. The ('onlposite curves are then used by DYNAMICS to solve l{,icha.rds' E(tuation. Plots of tlm

composite curves can be used to verify that the input data _re correct (i.e., th,_l, the tlydrologic

properties _re reasormble and that they are _ssigned to the correct, geologic unit) and to interpretresults.

Figure 3.6 presents tile co_nposite curve of hydrauiic conductivity versus pressure head for the single

ge.ologic unit defined in the geologic unit block of the input-data file (Figure 3.2). The composite curveis calculated as the area-weighted average of the hydr_.mlic ('onductivity of the matrix and the hydraulic

&nduct, ivity of the fractures (Peters and Klavetter, 1988). Als() shown in Figur('. 3,6 are the

characteristic curves for tile matrix and the fractures that _tre used in defining the composite curve.

! When a geoiogic unit is (iefined without fractures, t,i:e composite hydr_tul_c-conductivity curve is tile

3,1, SIMULATION OF A LAt3ORATOI_,Y IMBIBITION ' " • ' 1 ,1I!,XI I'A_,IMl.'_NI 67

IMBIBITION EXPERIMENT EXAMPLECalculational Mesh

0.l.0 -

151 9.4E--02 rn------1

0.09 _ _

:2___1

0.08 140 -----'._---t

_----i

0 07 _-_

_ -.....-,_

_,.-..,.-_

0 t;_O _ ..,,-.,-._

._ 0.05 _.,

___ UnLt Ii _wlOMo_Lxa BS_,lO (KLovotA_ ,t Pit.e, 5.'_66-02_1

' '] froot.uroom NONC

0.04 - ____

,___J0.03 - ------

0.02 --80_

......0.01 -60_

0.00 - i U O. rn

1 Figure 3.4: Mesh/stratigraphy plo_ for t,he iml)ibition-experiment simula.t, ion.

1-tI.OBLI'_MS68 CItAP.I blt 3. LXA I

IMBIBITION EXPERIMENT EXAMPLEKCharacteristic Curves for BB#10

lavetter & Peters, SAND86-0286'1.O ....

iiiiiiiiii iiii"_ 0.6

03 0,2 ' ' '

10-2 10 o 10 2 10 4 10 _

Suction Head (m)

l0 --11 ..... - ..... .__--

I0 -la

g lO-I 7

.tO-.ig

I0-_I , ,i, .... _ _ , i ........10-a I0 o I0 _ 10 4 lO _

Suction Head (m)

i Figure 3.5: Characteristic curves of the sample used fbr the imbibition-experimen_ silnulation,ir,rq ,,,, '. ,,' ,,,_i ,, ,_1

3,.l, SlM ULATION OF A LA BOI?.A'I'OI?.Y IMBIt_I'.I'ION EX PEIUM ENT (j9

sa.me _.us_he hydraltlic-conductivlty curw_ of i,he lnal, rix ilmtcrial (l'igllre 3,5). A I,lore i,ll.er,;sl,illgcomposite c.urve is given in Figure 3,26 in Sect,ioll 3,2,

Figure 3.7 presenl, s t,he composite cltrves of capa_citauce verslls l)ressurc heacl t'or l,lle "g{_.ologicullit,"defined for l,he l)robleln. (As with the conlposit,e hydraulic cotlduci, ivil,y curves, I,llis plol, is alsoselecl, ed by choice 3 on t,he OUq'PLO'I.' (DYNAMICS I"I,IBSI.JI,'I'S)nlenu.) Tlm solid lille, oil l,lle plol, isthe conlfmsite ,::urve; the dashed litle is the. first, deriw_.l,ive of tla(_sal,tlra.l,ion ot' ii,:: _llal,rix Illa,t,m'ia,I, I1'

we had Sl)ec.ified a fracture material, ii, would _lso be showll ou l,he plot,, A nlore illl.eresting cOnll,ositcca.pacil,_mce curve is given in Figure 3,27 in Sect,ion 3,2,

The composil,e cat mcil;ance coefficient, is l,he sum of the. st,era.ge catmcities c.atlse_l by Iila.i.rix sal,t_r_xt,ioll

(the area-weighted deriw-.tl,iw_ of 1,he sat,ur_ttion of the matrix material), I'r_l,cl,tlre saturat, iol'l (Lilt,are.a-weigllted derivat, ive of t,hc s_.d,ural;ion of l,he fracl, ure m_zl,erial), bulk-rock conlt)ressibility, t'ra,cl,ur_corlq)ressibility, and l;l-lecornpressibilii, y of wat,er, Pel,ers and Klaw;l.l.e.r (1!)88) ,giw:'.a, collll)lcl,ediscussion of i,lle Ca.l:)a,cit,_-tncecoetticic'nt. In t,his cxanlple prol_hml l,lle signilic_tnl, ter_lls are the..,lta,t,rixstorage capacity and the bulk-rock compre, ssibility. The cap_,cit,ance influences the ral,e al, which Ilowchemges in a i.)robh,m: low ca,pacitanee allows quick changes irl flow; Itigh c.a.lmc.il,_mceforces slowch_mges because large _:tlllOtllll,sof wz:l,ter are required to fill or drain l,he Ii_t,erial before 1,11(,new Ilowca,n be support,cd.

Figure 3,8 presents the. profiles of i)re,_sure head w:rsus elewtl,ion, 'l'he ve.rt,ic_d line oil t,he h'.I't,is tlu_initi_d pressure head of -20,000 m, The w;rl, ical line on tile right is l,he final t)r(.'ssure t_(:ad of

af, l)roxilna.l, ely 0 m, l)3a(:hhorizonte_,l line is the disl, inguisl_al)le part of a time litle, or I)rolil_, sl_owil_gthe "shaln:'?' of the l_ressure tlead at a giveu time snapshot,

ti_xafnin_tl,ion of tile plot sliows that the pressure-head profile is very steel), 'l'llztl, is, l,[_ewaW,r _c:)w;s

into the sample predominantly as a saturated Dent, (See Figure 3,6 t,o tleterlnine the increase illhydraulic conductivity with the increase in pressure, he;_d for this s_ple.) 'l'he fro_lt, is wi(lenillg as ii,progresses, and it, is slowing down, Widening of the front decreases the presst_r,:,-he.ml gr_-tdienl,at ap_;int, thus slowing the water movmnent,

DYNAMIC:S solves for pressure head. Figures 3.9 t,hrougtl 3, 15 l)res(;nt (ll_anl,ities ('.al('t_la,l,ed I'rol_ll_re.ssllre head.

Figure. 3.!) shows the profiles of sa,turation versus elevation Ibr t,he. ('al('ulatiol_, "l'l_e sat,uratiol_ profilesde not exactly resemble the pressure-head profiles (Figure 3.8), q'he saturatiotl protih,s arc calctllal, edfrom the pressure hea,cl, but the relationship is nonlinear and the profiles are I_ot,t,he sa_w_ shal)e.Indeed, the sa,turation change at)pea, rs to lag behind the pressure-he_d chm_ge, 'I'he (J()-day time lin(_ illl;'igure 3.8 shows that l,he lniddle part of the sample is in a local ste_dy stal,e acc,ordi_g I,o pressurehead; the 60-da,y _',imeline in Figure 3,9 shows that the n_iddle part of the sa_nple is still filling wil,l_water. This observation is in_portant when a.tter_l_ting to ru_ a tr_msie.nl,-flow calculation I.o a.steady-sl, ate conclusio_.

lt may be possible t,o check these s_xt,ur_d,ion results during the course of t,he eXl:)erime_t. Altho_lgh l,hearnolud, of water is small, visual observation of l,he front is possibh.,., Also, if the san_ple were cul, in halt'after tq)proximately 15 days, one,-half should be almost dry _md o_te-ha.lf _tlll_ost,saturated, l.t_auniform nmterial this predicl, ion could be. checked by weighing.

Figure 3,10 presents l,he profiles of matrix flux versus elewttion. Tile plot was constructed with a li_(:ar

scale; loga.rithmic scales are also ava,ilable, as are plol,s of l_orrna,lized data.. Initially, the flux is' _ 11 , i I / , 1! _, ,, , ¢!

apl)roxln._nt, e._yzero in _,_tesamt,_e l act, Ually, a, Sllglll, downwarci nux is preseni, as showll il_ Figure 3,3,

,lilil ,l H ml ,,

70 Ct tAI lhR, 3, I'_XAMPLIiJ I_R()I3I, I!:MS

i i i i i i i, iim (_

'(=9 _'

..........i..........',............... °_ga

I° ., ,,, . . , .... , . f ..... , .... , .... f , °, , ........ , .......

I, , , mnl %i,.j=,=!mu, !j_ l,m,t I I , h,,,,i , i bmi, , i lm,ii i i bmi, _ I ]lll,,i i i hm!i ! i C_

I I I I I I i I I i I

,_M ,,M _ ,.-4 _ _ ,,M .-4 ..-4 ,_4 ,,M

(s/_) £3,._A!:_anpuo9

Figure a,6" Composit, e hydra, ulic conductivity of l,he s_m_ph: used ff)r the imbibil;ion-experiirmni, si_nula-

_1 tion,

_I, ,,111...... ,...... m?l..... flr', ,,I,',,",lllll,-_ ' ,,_,,_...... ,Ii" 'II

3,1, SIMULATION 0t" A LA BOt?,ATORY IMBII. 11ION lgXlJlql?,I_,'llgN(l' 71

- i r _ i i

o ..j.'"<_'

..... f .......... . ..... , .... 2.f_', , i .......... o

._ '.k).. o

Z c_C)_._ \ . m[...__._ Q.) :N',x .

o \,. ,, . , ....... , , .....

, ,,-4

e \,",,,

"_,,:,

' Iilllll I I iillillJ i Ililllll I itliilll I llllil I ] [llllil I I lliilll 1 I hllliLIJ hilllll _ hre'l! J" 0

0 O 0 C._ _ _ _ I I I

,,-4 ,-4 ,_4

(I--,,_u) ooue_._oede3

I_: ..... 0.7 _ _"_,,_ _:4 ...... :_- ..... I"° _I ...... I ...... I _,I .... :., I :I ', . . _!S_hiii 'lO i, itJli-t:X iltJi'illil:_iii_ _iii ,_,.2Ull'ipO_lllt; fO[" bill _. IIIIUIIJl_-,C_iJCtbibC_l, llk, t;: t.)l tllli2, Ill'_t_tl1' i_UlltS lJ ltligblt)ll

]1....

72 C:ltA _1, R()BI, EMSI IM5, 3, EXAMPLI!; P " '

IMBIBITION EXPERIMENT EXAMPLEPressure Head of the Water

-- iiii ii i • r- i iiii I i ii i - i __

0.10 eo .e_600 see

............... : ........ :........ : ............... "-goVo-s-&"",.,.Z_,._.........

........ " ....... " ........ : 1 j_L_a___ -

......... J ao___aa..__.

. _6_oA,y.A..

.__o.25__z_

0.08 1

O BB#IO.f'-4

• .,..°°,...o,°,..,, ...... . ........ .._.,,.°.,,, ..... °,......°.,,. ....

0.00 _ _-.__.__.__._ _.=.=:.__.7: ._. .,.

-2,5 -2.0 -1.5 -1.0 --0.5 0.0 0.5 1.0

Pressure Head (10"'4 m)

i Figure 3,8: Pressure-head results for the imbibition-experiment simulation.

3.1. SIMULATION OI;' A LABORATORY IMBIBITION EXt ERIMENT 73

IMBIBITION EXPERIMENT EXAMPLEPore Saturation in the Matrix

,1, • • , i i,i ,u

initial0.10 oo ,,c

600 aec.................................................... -'dob-o'i&-

...l...a..._.........

...... . 30 da szr__"--.... _.o_o.a__...__.

,,, __o.e____r__0.08

,,_ 0.06 --_,.._, ;

•_ _ BB#10

\,,> 0.04 ',

® \'I

0.02 _"_

'°'°°° oo.,o._,oo oh o,,...o.. ....... ",,,,,oP ....... ,oo. .... o

",.O.o".%

o.oo ' '----.-=-'.-- '=._- :-_- :" _ .............

HiiImiii_iiiiimil : ii 1 :---- ........ :1 ] . J

-o.e o.o o.2 0.4 0.6 o.8 _.o JL._ 1.4

Saturation

Figure 3.9: Saturation profiles for the imbibition-experiment simulation,

74 CIIAPTEH 3, EXAM?LE PROBLEMS

but it, is not visible at, t,his scah,). With the start of the experim(:rit, very large upward (l)ositive) fluxesare expected, add are shown in the figure. The. flux indicat('d by the first time, liue ex(.ends off the plot;it, is al)proximately three times larger than the flux a.t the second ti_lle line (Figure 3.3). Themagnitude of the flux continues to drop as the front exteuds ilfl.o the s;mli:de.

Flux is calculated from l)arcy's Law:

q= -,I,(¢,)(_ + 1),

wller(, q is the fl_lx, K iu the hydraulic c(,llduct.ivity, 'q',is the i)r('.ssur(: h(,ad, aud z is the (.h,vat.ion.

'1'bus Lhc slight, widtming of t.tl(', pressure-head fro|lt, observed in Figure 3.8 has a I)rof(,un(I slowing_'frect. otl t.]l_,_ Ill()v('lJwn{ of water,

\VhelJ large ctLanges it_ flu× are cause,l t,y slight changes iu pressure head, flu× is said _o be s(_il,'sil.iv¢._ t.o

t)re,_sur(, h(,a,l. 'l'his se||silivity alh,ws us Io Izleasure t.h(. stability of lhc calculal,ioi_. A1Jy uu('xplain(,dwiggles ()r (_scillat.,i(ms in the tlux protil(,s iIllt_iy a i_u_rwri('al izlstal)ility. Such inst.abilily _llay ()r r_laynot sig_iiicamly ;di'ect. the r_.s||lts; h()wew, r, tl_e _Jser _,ust ,,xa_ine ii furth(.r. A furth(,r (liscussio_ ofnu_(,rical il_st.ability is included at the (r_(t of this sectiou.

l:'Jgur_. :l.l 1 l)res('_Is _.h('aw,rag(:, li_{_ar vd,)city _f ',valet in l.lw sa_i)h' ,,'_'rsus eb'vati(,_. 'Fhe I)1_1.showstll_' Ul_ward v,.l¢,cil.ies ¢d"wat_,c imo lh_, sa_ph,. 'l'he ,,'_'locit.i(,s<h'cli_w ov¢,r ti_¢', a.s is ot_s_.rved v,,ith

flux. N¢_lic,. thai a slid,ht upward w,l,)city is still it_<licated at. 90 days. if tlux were IdOl.ted in l.lJis_l_;.u_¢'r, we ',,,'o_ld s¢.e ali_osl ide_lical curws. 'l'he ,'r¢h'r-<)t'-_agnilude diii'erector, l,_,t,,,,,_,(._v¢'locity andflux iu caus,"d I_y ,]i,,'idi_g ltw flux I)y llw _oisture ('Olll_qll, wtI:cll is tIW l_r(_(tucl,¢,f l:,(.,r<)sity(Oil)alibisaturati(,u (al,l_roxi_at.('ty 1). This (l("t,_'_)de_ce _)_ timex_wans that v(,l()city is also sea,sit iv(, t,_ t)r(,ssur, ,Iwad; twx],',., vel<,city ('ag, also t_,, us_'d :_s a _J_,a.sure ,.d"uu_,_t.rical stability.

'1'1_,.l,l:_t (,f _atrix hydraulic co_lductivity v_,rsus elevaliot_ is l)rpse_t,,d it_ Figure :1.1_2.."..s':.'ill_saturati,:n_ (l"igur,. 3.9), hydraulic c_,_,t_ctivity disti_ctly lags t,, I!i_,l pr,..ssure hea(i. 'l'l_i.'.;I)lc,l serv_,s a.sa diagt_,,slic t,_c,l fl,r interpr_,ting ,:'()l_t,l_'xresults.

l"i_ure 3.13 l)r¢'seJ_t:-;lhc. plol of capacitance (storage capacity) co,'fti,'ients versus eh'vati¢_n.

('al.,acit,,_c_" ha.s a large intlue_('e on t.ra_lsi(.ut, v,'ater tl_v,', Iwcause a larg_' storage capacity ]l¢,I,ls waLc,ra_d (taJ_q)s l,ressur_.-hea(! fr_)_t:,;atle_l)ti_g t_)_ow, thro_,Ch, while, a st_all st(_rage capacity all(),,vsfroJfls tc, _m,,, tl_rough ¢luickly. ('apacilance ,:o(,ttici(._ts ar¢' ]ow,,st at. _ery u_|satL|rated ;t_d salurated

conditi,,J_s. At Ihes,, extre_s, capacita.twe is ,:to_dnal_.d I)y various conq,ressibility factors, l_et',',','euthe,_e extre_ws, capacitatw(, is doutir_a_',ted by the derivative of the saluralion wilh respc_ct Io t,ress_reI_ead (Peters and Klawgter, 1,9_g8). |]ecau:se this t)roble_s goe,_ fro_ a dry ('onditi_)n t(.) a saturale,.Ico_,litio_, l.h,? capacitance co_,[[icient is; a l)rofih_ of rh,' ris_, and fall ()f rh, _storage capacity of the rock.As ',','_*hlh,. plot of hydraulic cowluctivity versus elevation, t.[1_,capacitance plot is pritnarily used ;-_satool lt., understand coJ_plex behavior.

Figure 3.14 presents the average samph:, saturation versus t.in_e and [;'igure 3.15 prese_fl.s t.he water_t_ass versus time, both plot_t',d on a li_ear scale. The:..-ph)ts are constru,:_,ed with ch(_ic_,sr,umber 1(I

ar|d 11 on _he Oi!T PLOT (DYNAMICS I(.E'SUH'S) _'ner_u. The average sample saturation iscalculated by ,summing over the e_t,ire mesh ;.mfollows: the average sat._ration bet:,veen every rv,'(,rwighboring r:_esh points multiplied by t.h,, ratio of the distance betv,,een the neight:,oring points over

- t,he entire distap, ce (eievat, iou) covered by the mesh. 'Fhe shape of this curve follows t.he shape of t.be-, water-mass curve. The water mass is calculated I)5'surnming the volurr_e of water in each mesh cell

3,1, SIMULATION OI" A LABORATOR:r" IMtflBITIQN EXPEllIMENT 75

IMBIBITION EXPERIMENT EXAMPLEWater Flux in the Matrix

.......... ii

.................. i_m,l0.i0 . 80,_c

O00 aec

...... ' 6000 aec

....t..a._y.........7 daya

_RaOd.a_),,..._p_a__:____0.25__ _

g 0.04 -

--1. 0. 1. 2. 3. 4. 5. 6. 7. 8.

F]ux (t0"*-8 m/s)

Figure 3,10 Flux profiles for the imt)il)ition-expcrimcm, simulation.

''I_IPll .... I,_l:r .......... rlrl'' 'll_r''H_l_llll'"_:,' .iil_ll,,l_:,,_m, ,.._,.qFl,[lllr, l,lll_l m,_......... 't'l '_IIW ..... Ill_ ,"rl_'"rlllll:"qllUl_ll'l.FllFIn.lll I

f 1 l ) -_ "'f76 CHAPTER 3. EXAMI LE PROBLEMS

IMBIBITION EXPERIMENT EXAMPLEWater Velocity irl the Matrix

-- ,u , ....... ii

i_iu,i0.10 60 _ec

600 aec................................................."-6"o-o-o-,-e-c-"

--_-----=_--L........... ...._._.._.........

,_ 3od_s__._

.eoq_, .0.25_.yt-_

o _B#10,,r--'4

i0.02 i

• ,,,'o ....... ,, ...... ,, ...... ,,,,.,. ,,,, ,., ...... ,,I, '.,

: I : ,[ ....... , I I

-_.__..__-7_=_-- --.--:L._Jl__4.- .-T-_.-.'--7._..._,'-T-7-?- -- ._._'+_,'..-_ ._ ._.'_ _.'._-..--_. ...............0.00

i i til/iU _[_l.,llllt_ . m lffllll!! ! i 1]_111/1 .] i 111[11! i i 11|1tll i i lltltV i i LLIItM 1 i l_ull_illlll _

.1.0-13 10 -I1 10 -t: 10 -7 10 -5 10 -3

VeloctLy (m/s)

i Figure 3.11" Average linear velocity of water for the imbibit, ion-experiment simulation,

til& .... , ........... ,,

3.1 SIMULATION OF A LABORA 1 0 _,}IMBIBITION LXI ERIMENI 77

IMBIBITION EXPERIMENT EXAMPLEHydraulic Conductivity in the Matrix

,...,.. i i i i i

' i.udl0.i0 60._c

: _Ao_o.k._o__.................................................. 8000 aec

, ....Zg_. ........' ___TA__sz_t__

.......................... 3oda.y_L_.... ..... -AoA_: ,__.

o a5_£%,0.08

" ""--"_ "_'_ " _ . ,...,._..,_..._ , II

0.06 "-_ ....I

o \"._. ', BB#10

..................................................I0-*° I0 -i7 tO -i5 10 -t3 lO -it I0 -e

Conductivity (m/s)

Figure 3.12" }lydraulic-conductivity profiles for the ilnbibition-experimenl, siznulation_.

II[_.... 'P_ ,,,, ,ii .,. ,, ,i_., , ,, ..... ,,, ....... 'V "' _)I,,',_,n

78 CIfAPTER 3. EXAMPLE PIt OI_LEMS,

IMBIBITION EXPERIMENT EXAMPLEComposite Water Capacitance

II .... I IJ l_'--- : --

initial

0.10 60._cilO0 aec

................................................ - -Bb-ob-s-go-"

............... I i , 7d_a_s3od.asZL

_6od__s_...o.a_yr _

,_ 0.06 \--- '!

' \i©

•,-_ BB#10

> 0.04Q)

o / :: //I/ i Ii/

................................../..... i ,'//

0.00 ...... _:_

I 111111/, J I IlEal i I IllltJ_.. • I lllllll | 1 I IIlill I I I ii|l|l ..... ) J..llll,

i0 -a I0 .-s 10-4 tO-a i0 o

Capacitance (m_*- 1)

Figure 3.13: Capacitance-coefficierlt profiles for the imbibit, ion-experinlcnt, simulat, ion.

3, i, SIMULATION OF A LABORATORY IMBIBITION Ii',XPEI_IMENT 7!)

(determined by taking the average of the moisture contents at, th e Inesh poinl,s, l,hen nmltiplying bythe distance across t,he cell), and multiplying by the density of water (an input pararnetcr).

The information iri Figure 3.15 is the int_)rmation being sought iii l,he ext)erim(:nt; heilce, this plottallows correspondence between the siinulatect experiment alld the exl)erinu;ntal data. Discrel)atlciesbetween experimental and simulated results are possible, and irl(leed, should be expected. For exainple,TOSPAC does not handle hysteresis effects iii the definition of the niateriat hydrologic prol)c'ri,ies;therefore, because th,.se hydrologic propert, ies were measured by draining the saznple, they limy not 1)esatisfactory for modeling au imbibition exp(.'.rimerit.

By changing certain hydrologic niaterial properties, it is often possible to match exl)erimental restllts.in this manner, errors in the input data can be estimated and pol,elttially niore accurate characteristiccurves can be constructed (Peters el al., 1987).

Consider the following three hydrologic, parameters:

1) The van (;enuchten _.rparameter. This parameter is based on the air-entry pressure head: a large(.r implies that the Jnal,erial contairls large pores and that ii, begins to desaturate at. high pressureheads. Setting ce to a larger value, causes l,he aw'.rage..sample-saturation change and the nmsschange to occur ove.r a longer tinm scale. '.Fhe curves appear to retain l,he same s]lal)e , ])iii, the

time axis is expanded, Changing (:_can effective.ly miiIlic hysteresis ett'ects: increasing cr Inakes adraining curve more like a wetting curve; de(:remsing t_ nmke.s a wetting curw_ nlore like adraining curve.

2) The saturated hydraulic conductivity (K,). Phe product of this parameter with the rclatiw'conductivity (K.,.el) determines the unsaturated hydraulic conductivity. R,edu(:ing h's redu(-(,s (,l_eunsaturated hydraulic conductivity, and etDctive.ly ,shifts the hydraulic-collductivity

O_aracteristic curve so that a higher pressure head is required I.o achieve the. same condu(:tivity.'thus, reducing K., produces change.s similar to increasing the wm (i_enuchten (:_parameter; thetirne scale of the ma.ss-(:h_mge curve increases.

3) The van Genuchten /:_parameter. This parameter is b_sed on the uniformity of pore sizes aJl(l isa mea.sure of the steepness of the characteristic curve (the more uniform the pore sizes, thesteeper the characteristic curve and the larger the value of/._). Changing/_ produces contpetingetDcts. Increa,sing fi causes changes in saturation and hydraulic conductivity to occur at higherpressure heads, and therefore, shouht lengthen the time scale of the ma.,_schange, llowewer,increasing/_ causes the pr(>blem Lo become more nonlinear. The pressur(:-l)e.ad gradients increasecausing the ma,ss-change time scale to shorten, hl the end, challging /_ primarily causes :hangesin the shape of the saturation- and ma_ss..change curves. Increasing/_ causes the curves l,o t)ecolllemore linear, i.e., straighten out (on a linear scale), l)ecre_'_ing/:1 c_tuse l,he (:.urves l,o t,:'¢'ollle morelogarithmically shaped (on a linear scale).

'I'he O[J'IT'PLO'F module also allows plots of average sample saturation and waier nmss on alogarithmic scale. Mass and saturation plots on a [ogarithnfic scale are most useful witll ew'his lhai,

change rapidly a.t early times, but then extend over very long time scal_,s, With this ('xperi_e1_t,results are more understandable on a linear scale. Pet(,rs ct al. (1987) docui_e:_ts a si_ilar ('Xl,eriu_e_tthat was Inore understandable with a Ioga.rithrnic plot..

The OUTI_LOT plot-definition file used to define the plots distressed in this sect, loll i'_ l:)r('sent,;d inFigure 3.16.

80 CHAPTER 3, EXAMPLL I I_,OBLEMS

IMBIBITION EXPERIMENT EXAMPLEAverage Saturation oF Column

1 ' 0 ' ' : ..... : ..... : ..... : ......... { ....... : ...... : ...... : [ [ ).:__

o,_ .......i.........i.........i.........i...._>J_. _.7.........i.........i.........i........

'.3 0,6 ........................ > ................................... i .......

0,4 . ,br]

0,0 ................ :........................................................ '.......

o, to, ao. ao, 4_. _c_, 6o. 7tj, .o, oo. mo,

'['ime (days)

Figure 3.14: Average sample satur_tion for the imbibition experiment,

IMBIBITION EXPERIMENT EXAMPLEMass of Water in Column

O.Og5 ....... -'......... :......... :........ : ........ :.,. a_':. : ......... :......... :........ : ........

o.o,o i0.005

0.000 ................ ............................... ' .................... ' ......

-0.005

O. I0. 20, 30. 40. 5rl. 60. 70. 80, gO. I00.

i Figure 3.15: Sample mass change for the irnbibidon experiment,i

3.1. SlM ULA'FION OF A LA BORA.I ORY IMI: IBII ION EXt ERIMEN I 81

*** TOSPAC OUTPLDT PLOT-DEFINITION FILE **************************************************

*********** DYNAMICS PLOT SECTION ***********

************** PLOT FILE BLOCK **************EX2DYNAHICS,PLT DYNAblICS PLOT-DATA FILENAME

************** MESH PLOT BLOCK **************XAXIS LIN ELEVATION AXIS TYPE

XLIMITS DEFAULT,DEFAULT ELEVATION AXIS LIMITSBOX DEFAULT MESH POINTS PER BOXNUMBER DEFAULT MESH POINTS PER LABEL

****** CHARACTERISTIC-CURVE PLOT BLOC_ _,,.**XAXIS NEGLOG PRESSURE-HEAD AXIS TYPE

XLIblITS DEFAULT,DEFAULT PRESSURE-HEAD AXIS LIMITSZAXIS LIN SATURATION AXIS TYPE

ZLIMITS DEFAULT,DEFAULT SATURATION AXIS LIMITSYAXIS LOG CONDUCTIVITY AXIS TYPE

YLIMITS DEFAULT,DEFAULT CONDUCTIVITY AXIS LIMITSMATERIAL ALL PLOT CURVES FOR MATERIAL

***** COMPOSITE-CONDUCTIVITY PLOT BLOCK *****UNIT ALL PLOT CURVES FOR GEOLOGIC UNITYAXIS LOG CONDUCTIVITY AXIS TYPE

YLIMITS DEFAULT,DEFAULT CONDUCTIVITY AXIS LIMITSXAXIS NEGLOG PRESSURE-HEAD AXIS TYPE

XLIMITS DEFAULT,DEFAULT PRESSURE-HEAD AXIS LIMITSLEGEND RIGHT,TOP LEGEND LOCATION

***** CO_POSITE-CAPACITANCE PLOT BLOCK ******UNIT ALL PLOT CURVES FOR GEOLOGIC UNITYAXIS LOG CAPACITANCE AXIS TYPE

YLIt_ITS DEFAULT,DEFAULT CAPACITANCE AXIS LII41TSXAXIS NEGLOG PRESSURE-HEAD AXIS TYPE

XLIMITS DEFAULT,DEFAULT PRESSURE-HEAD AXIS LIMITSLEGEND RIGHT,TOP LEGEND LOCATION

*_******* PRESSURE-HEAD PLOT BLOCK **********XAXIS LIN ELEVATION AXIS TYPE

XLI_41TS DEFAULT,DEFAULT ELEVATION AXIS LIMITSYAXIS LIN PRESSURE-HEAD AXIS TYPEYLINITS DEFAULT,DEFAULT PRESSURE-HEAD AXIS LIMITSSNAPSHOT I SNAPSHOT TO PLOTLABEL initialSNAPSHOT 2 SNAPSHOT T0 PLOTLABEL 60 aecSNAPSHOT 3 SNAPSHOT TO PLOTLABEL 000 secSRAPSHOT 4 SNAPSHOT TO PLOT[,ABEL 6000 secSNAPSHOT 5 SNAPSHOT TO PLOT

LABEL I daySNAPSHOT 6 SNAPSHOT TO PLOT

LABEL 7 daysSNAPSHOT 7 SNAPSHOT TO PLOT

LABEL 0,25 yrLEGEND RIGHT,TOP LEGEND LOCATIONb40DE MULTI PLOT _IODEORIENT PORTRAIT PLOT ORIENTATION

_*_*,*'_'** SATURATION PLOT BLOCK ***********XAXIS LiN ELEVATION AXIS TYPE

XLIMiTS DEFAULT,DEFAULT ELEVATI01J AXIS LIMITSYAXIS LIII SATURATION AXIS TYPE

YLII4ITS DEFAULT,DEFAULT SATURATION AXIS LIMITSStIAPSHOT 1 SNAPSHOT TO PLOTLABEL initialSNAPSIIOT 2 SNAPSHOT TO PLOTLABEL 60 aecSNAPSHOT 3 SNAPSHOT TO PLOTLABEL 600 secSIIAPSHOT 4 SI_APSHOT TO PLOTLABEL 6000 secSHAPSHOT 5 SNAPSHOT TO PLOT

LABEL I day

Figure 3..16: OU'I'PLOT plot-definition file for t,he imbibition-experiment simulation.

82 GIfA.I I ER 3, .EXAM.PL E PI_.OBI, LM,5

SNAPSHOT 6 SNAPSHOT TO PLOTLABEL 7 daysSNAPSHOT 7' SNAPSHOT TO PLOTLABEL 30 daysSNAPSHOT 8 SNAPSHOT TO PLOTLABEL 60 daysSIIAPSHOT 9 SNAPSHOT TO PLOTLABEL 0.26 yrLEGEND RIGHT,TOP LEGEND LOCATIONPLOTTYPE MATRIX SATURATION TYPEMODE MULTI PLOT MODEORIENT PORTRAIT PLOT ORIE_]TATION

************** FLUX PLOT BLOCK **************)[AXIS LIN ELEVATION AXIS TYPE

XLIMITS DEFAULT, DEFAULT ELEVATION AXIS LIMITSYAXIS LIN FLUX AXIS TYPE

'YLIMITS -i,E-B,B,E-8 FLUX AXIS LIMITSSNAPSHOT I SNAPSHOT TO PLOTLABEL initialSNAPSHOT 2 SNAPSHOT TO PLOTLABEL 60 sscSNAPSIIOT 3 SNAPSHOT TO PLOTLABEL 600 sscSNAPSHOT 4 SNAPSHOT TO PLOTLABEL 8000 sscSNAPSHOT 5 SNAPSHOT TO PLOT

LABEL 1 daySNAPSHOT 6 SNAPSHOT TO PLOT

LABEL 0,25 yrLEGEND RIGHT,TOP I,EGEND LOCATIONPLOTTYPE MATRIX FLUX TYPEMODE MULTI PLOT NODEORIENT PORTRAIT PLOT ORIENTATION

************ VELOCITY PLOT BLOCK ************XAXIS LIN ELEVATION AXIS TYPEXLIMITS DEFAULT,DEFAULT ELEVATION AXIS LIMITSYAXIS LOG VELOCITY AXIS TYPE

YLIMITS DEFAULT ,DEFAULT VELOCITY AXIS LIMITSSNAPSHOT I SNAPSHOT TO PLOTLABEL initialSNAPSHOT 2 SNAPSHOT TO PLOTLABEL 60 sscSNAPSHOT 3 SNAPSHOT TO PLOTLABEL 600 accSNAPSHOT 4 SNArZHOT TO PLOTLABEL 8000 sscSNAPSHOT S SNAP, HOT TO PLOTLABEL I daySNAPSHOT 6 SNAPSHO'r TO PLOT

LABEL 7 daysSNAPSHOT 7 SNAPSHOT TO PLOTLABEL 30 daysSNAPSHOT 8 SNAPSHOT TO PLOT

LABEL 60 dayaSNAPSHOT g SNAPSHOT TO PLOT

LABEL 0.25 yrLEGEND RIGHT,TOP LEGEND LOCATIONPLOTTYPE MATRIX VELOCITY TYPEMODE MULTI PLOT IdODEORIENT PORTRAIT PLOT ORIENTATION

*********** CONDUCTIVITY PLOT BLOCK ***_*****XAXIS LII,I ELEVATION AXIS TYPEXLIMITS DEFAULT,DEFAULT ELEVATION AXIS LIMITSYAXIS LOG CONDUCTIVITY AXIS TYPE

YLIMITS DEFAULT,DEFAULT CONDUCTIVITY AXIS LIMITSSNAPSHOT I SNAPSHOT TO PLOTLABEL initialSNAPSHOT 2 SNAPSHOT TO PLOTLABEL 60 seeSNAPSHOT 3 SNAPSHOT TO PLOTLABEL 600 _;_cSNAPSHOT 4 SNAPSHOT TO PLOTLABEL 6000 sec

Figure 3.16'. (',ontinued.

3..1. SIM[ LA 1ION OF A LABO. ,A.I OR,) IMBII.H'.I'ION EXI)EI_IMENT

S1JAPSHOT 5 SNAPSttOT TO PLOTLABEL I daySNAPSHOT 6 SNAPSHOT TO PLOT

LABEL 7 daysSNAPSHOT 7 SNAPSHOT TO PLOTLABEL 30 dayaSNAPSHOT 8 SNAPSHOT TO PLOTLABEL 60 daysSNAPSHOT g SNAPSHOT TO PLOTLABEl, 0,25 yrLEGEND RIGHT,TOP LEOEIID LOCATIONPLOTTYPE MATRIX CONDUCTIVITY TYPEMODE MULTI PLOT MODEORIENT PORTRAIT PLOT ORIENTATION

*********** CAPACITANCE PLOT BLOCK *******_**XAXIS LIN ELEVATION AXIS TYPEXLIMITS DEFAULT,DEFAULT ELEVATION AXIS LIMITSYAXIS LOG CAPACITANCE AXIS TYPEYLI_dITS I,E-8,I,E-I CAPACITANCE AXIS LIMITSSNAPSHOT i SNAPSHOT TO PLOTLABEL initialS_IAPSHOT 2 SNAPSHOT TO PLOTLABEL 60 socSNAPSHOT 3 SNAPSHOT TO PLOTLABEL 600 sscSNAPSHOT 4 SNAPSHOT TO PLOTLABEL 6000 aecSNAPSHOT 5 SNAPS}lOT TO PLOTLABEL 1 daySNAPSHOT 6 SNAPSHOT TO PLOT

LABEL 7 dayaSNAPSHOT 7 SNAPSHOT TO PLOT

LABEL 0,25 yrLEGEND RIGHT,TOP LEGEND LOCATIONMODE MULTI PLOT MODE

ORIENT PORTRAIT PLOT ORIENTATION

*_***** AVERAGE-SATURATION PLOT BLOCK ***.****YAXIS LIN SATURATION AXIS TYPEYLIMITS DEFAULT,DEFAULT SATURATION AXIS LIMITSXAXIS LIN TIME AXIS TYPEXLIMITS 0,,I00. TIME AXIS LIMITS

XUNITS daya UNITS FOR TIMEXFACTOR 1,16E-B CONVERSION FACTOR, SECONDS TO DAYS

_********* WATER-MASS PLOT BLOCK **********YAXIS LIN MASS AXIS TYPE,

YLIMITS DEFAULT,DEFAULT MASS AXIS LIMITSXAXIS LIN TI_E AXIS TYPEXLIMITS 0,,i00, TIME AXIS LIMITSXUNITS daya UNITS FOR TIMEXFACTOR 1,16E-5 CONVERSION FACTOR, SECONDS TO DAYS

_i Figure 3.1G" C,oncludcd.

84 CIIAPTEII, 3, I_XAMPLE PR,OBLI_M;5'

'Pra.nsient,-t"low calculations offer many possibilites for error and numerical instability. 'I'he calculationis routinely rerun wit,h different,, and usually nlore accurate, parameters to determine if i,here is anychange ill l,he resulLs. Adjustfing t,he following parameters ('all influence the accuracy and stability of _calculat, ion.

1) The l,inmstep factor: decreasing /,his factor decreases the length of i,he timesi, eps and should leadto I_lllore accurate solution (Secl, ion 4.2.6). Itowever, this action causes longer run times.

2) The Ilmsb: decreasing the mesh-point, spacing (increasing the number of mesh points) allows t,he.difference equations t,o approximalie l,he differential equal, ions more closely, and should lead t,o amore accurate solution (Section 4.2.9). This action also causes longer run l,imes.

3) 'Phe irnplicitness fea.(tor: should be se(, bet,ween 0.5 and 1, with 0,5 the most accural, e and 1 the

tnost, st,able (Section 4.2.6). Larger implicilmess fact,ors can poteni, ially cause inaccuracy, buttypically reduce run times. Notice that irl Iqgure 3.2 the implicitness factor is set to (I.6. Whenthis calculat, ion waw made with an implicii, ness factor of 0.5, it was unstable.

Sect.ions 4.2.6 and ,1,2.9 contain more infortnaCion about nulnerical sl,ability.

The aut, hors were confident of the accuracy of the resull,s of this example problem and thereforeal,t,elnpt, ed a less accurate solution method to determine whether t,he results wouht det,eriorat, e

significanl, ly. Sel,t,ing l,he implicitness fact,or to 1 and l,he l,i_nesl,ep factor to 0.5 allows a fa.st,ersolut, ion .......approximat,ely three t.imes _mfast, ......and giw,s good agreemenl, with the original calculation.Figure 3.17 shows t,he plot of pressure head versus elevat, ion for t,he degraded calculal, ion; ¢:ompa,re l,llisfigure to i,lle original resull, s shown in li'igure 3.8.

' " ] _" ") _'X _ ' i' ' '3,1, SlM[ LA 1 IC N OF A LA BOILATOR, Y IMBIBITION E_ t EI_,IMLNI 85

SECOND IMBIBITION CALCULATIONPressure Head of the Water

-- ,,,,, , ,,i , ,,,,

0.10 6o,c,c....

ilO0 _eo.................................................. 6000 see

t da_......... _....... _........ =._ t

-' J._9o___,jk____A°_d.aJ_"._.

o,as__7__r_0.08

I .......... I

o.o6 I0 BB#IO..-_

> 0.04

0.00 ....................................... _.....

........<.o 2.0 --1.5 -1_,(.) 0.5 0.() 0,.,_' .1,()

Pressur'e Head (10**4 In)

r lgure o. l 4: rressure,-ntau results For LneImDlmi,ion-exp¢',rillmni, siiimlai, ion (with i,he iml_llcirm'ss [aci,or

_i set, to 1 and the t,inmsl, ep factor set, to 0.5).

86 CHAPTER 3, EXAMPLE I'ROI3LI'_MS

3.2 Simulation of a Potential Waste Repository in StratifiedTuff

This sect, ion cont_fins a description of one of the example I)roblems disc.ussed in 7'OSI'A C Volume I:Physical aud Mathematical l]ascs (Dudley ct al,, 1988). Although this probl('.m involves a (:l.dcula(,iollrcpresenl, a,l,ive of Yuc(:_:_Mount,_in, it, is only used a.,_an exa.mple and is not meant, (,ooffer Imyconclusions as t,o t,hc suit,ability of t,he site as a location for _ high-level-radio_._et.ive-w_rste r(:pository,This calcul;_t,ion is not, a.cceptable for repository licensing acl,ivit,ies,

This ex_mll)le prohlem clenlonsi, r;xl,est, he. cap_fl)ilities of the S'1'I!3AI)Y module of 'FOSI'_AC l,o soN('. _

highly iloIllilm._r flow problem, and the TR.ANS module of 'POSPAC_ t,o solve. I-_(:omplie_tl,ed t,ru.nsl)ortl)rot)leIll wit,h mult, iple radio_cl, iw'. conl,a,min;tld,s on this hy(lrologic background.

Briclly, l,he l)roblenl invest, ig_tl;es l)l_cing a potent;i_l high-level-radioact, iw:-waste ret)osil,ory in al)t_rt,i_.dly st,turltl,ed mounl, ain with stral, t,.of fractured, welded trod nonwelded tuft_s. Figure 3,18 showsthe l)hysical lt_youl, of tlm tnouu_tfin wil,h t,he potential rel)ository. Figure 3,19 shows how the problenlis sirnplitied for inl)Ut, into '1'OSPA(),

For this probhml we a.ssu_ne thai, flow is in stc'_dy sl,_t,e downw;_rd tl_rough a one-dirnensior_a.l, v(:rl,ic&lcolut_m (a require_nenl, of 'I?OSPAC), al, a collst, grll, percolal, ion rate of d mm/yr. ']'he flow media.

PRECIPITATION JUS_4H-5 '

1500 ALLUVIUM f"'_---_ INFILTRATION __ _ 5000

/ ...I'". i TCw _ ALLUVIUM./_Jt "_- - - -75"_ r_ I'__, \ us__._ ut._.__-/--'"--'-_I_,_,,_L.__ ,. "-,--_\ .- ALt.UV_UU\

...,. - I' "-'--" " _ _ T --- til

/ ' 7 -,ooo

0 500 1000 n_

Figure 3.18: Cross-section of Yucca Mountain showing the geologic st,r_-_l,igraphyemd the location of theI t.,ui,m_l,ial ':eposil,ury.

ii :1 -

3,2. SlM ULA TION 0 F A PO TEN TIA L V_!,4ST/_' R EP(),_'I'F() I_ _t' IN STH A TII".IE'D l_l 7["F _ ?

TOP BOUNDARY(GROUND SURFACE)

,._/" q = 4 mm/yr530,2 m

TCW PROPERTIES

1.D503.4 ,m m CALCULATIONAL

PT'n PROPERTI;ES

,_65,3 m ,,,..,.,.

TSwl PROPERTIES

335,2 m

SOURCE TERM

/ CONGRUENT LEACH BASED ON 238 UTSw2, PROPERTI;ES CHAIN 1:238 U235.0 m ................... CHAIN 2:240 pu,23(_ U, 232Th

SOURCE REGION CHAIN 3:14 Ci_ 230.0 m ............... CHAIN 4:99 Tc

CHAIN 5:129 t

't29.5 m

CHnz ,PROPERTlIES

_t_ BOTTOM BOUNDARY_,,,,.. (WATER TABLE)

Figure 3.19: Simplifi.cat, ion of t!:o geometry and geol¢_g,y c,f Yucca Mountai,_ fi_r a 'I._()SPA(: calculation.

88 CttAPTIqR ,i_. tqXAMt_LE PfiOt_I,.EMS'

consist of five geologic unit.s defined i,, a stratigraphy situilar to t.hat, reported for drillhole t;S\V (.;-,4at."Yucca Mount.alrr (Ortiz et al,, 19S,.r_):

1) ('al|co Hills unit,, desig,lated C.{l,tz, predomina,,t, ly composed of zvolit.ized, nonwelded ash-fallt.uf[_, extending from 0 ni (t.lw wate,' table amt lower boundary of the problem) t,o 12,q._ In abovethe v,'ater table;

2) Topopah Spring unit,, lower half, designated 'I'Sw2-3, co_nposed of v,'elded ash-flow tufts ',,_'it.lllesst,har_ 10% by volume of,.,ugs, extending from 129.5 to 3:35.2 n,above the water table;

3) Tot:_opah Spring unit, upp,_r half, desigIlated 'I"Swl, coznposed of welded ash..flow t,uffs withgreater t.han 10% by volunte of vugs, extending fro,,, 3:!15.2to ,t{1,5.3,n above the water tab!v;

4) Paint, brush unit., designat.ed P'l"n, colnposed of no,lwelded a.sh-fall tufts, extending fr(:,,,, ,l({i._.:J_to,50::_.,4m above the water fable:

t-.,)Tiva (7.:allyon ttnit, designated 'lT'(.:w,composed of welded _sh-.flow t,/lll's, ,'xtemti,,'g froth ,r_()3.'1t,oF_I{0.4m above t.he water table (nominally the ground surface; t.he upper boundary {,f l,t.wprobl,',,,),

Ali five geologic units are t"ractur(,d; t.he welded unit.s are highly fract.ured. Matvrial hydr(,logicpropert, ies, fracture poro;;it,}es, and bulk-rock conlpressibilit.ies can be found in Klavet.ter and }'eters(l_0StS)and in Volume I. For this calculat.ion, material prot_erties arc a,ssutued to be unifor'l_throughout each geologic unit..

C'onst.rttct.iou of a calculat, ional mesh frn" this pro}_lell, requires an underst..mdir, g of t.he rm,,,erics,exl)erie,.).ce, a,,,:t often a certain amo_,nt of trial and error. Mesh pc)ir,(.s musg. I),' place_} c{c)so,,lit)ughtogether so that litt.le informal.ion is lost. in going from the diii>rent.|al equations to the ditt'er{qlc{,eq.ua{ions used iii STEADY and TI:{ANS. For exal_lple, tr,,,mterial should not. go frort_ full sat.urath_ilto residual sat.ural.ion between adjacent, inesh poitits (although t.his sit.uation ti_ay be unavoidable _1. a;xlat,(,rial interface).

This example problem uses 2303 mesh poit{ts. The ,,,esh block in Figure 1_.20cc,,,tains t.ltc definition ofthe tnt'sh, and Figure ?,.2.4 contains an illusl.ratio_t of t.he tr,_sh. "l'hi:s nun,ber is _n¢)rethan liccessary fbrat) accural.e steady-st.at.e solution, but. ill Volume 1 t,he S'I'[CAI)Y r(_sult.s were also to be used ,ts theinitial condition ff>r DYNAMI('S calculations. |i,mce, t,h(-,mesh is structured as if for a tra_,,dcnt.probleni, b_quat.ion 2.3-271 in Sect.ion 2.3 of Volu._nc Ica, l t)e used t,o detvrmiric tnesh-poiitt, st)acing fora D'YN3. MI(J_S problem iri t.erttts of the radii of curvature of the leading at_d trailing vdges of a. tl,,xpulse. "|'ta,:'equat.iou is reproduced in Section 4.2.9 of this [lser's Guide. (Sect.lot, 4.2.!)also cotltaitasbounding equations for STEADY and TRANS tneshes.) In geologic utrtit TSw2-3, a flux t_ulso t'ro,n .1

to 8 m,n/yr has a radius of curvat.ure of approximately 0.a m at l.lte leadi_lg edge: thus, t.h,, ,,,,."sitpoi_ts are' spaced at. 0.28 mt, hroughout, most. of TSw2...:I.

With this inff>r_nation, the mesh was const.ruct.ed using t,he the trial-and-error method, a.s follows.First., a mesh wa.',:construct,cd with uniformly spaced mesh points, and a st.eady.-stat.e solut.ion wascalculated. Then, the regions of t,he mesh were identified where t.he solution was unacceptable. Theauthors typically define "u,_acceptable" as a region where t.he calculated flux dltDrs fron_ t.h¢:,ilnposedflux by more than 10(Jt,. In general, mesh point.s must be fi_tely spaced at, t.he int.erfac,_s bet.wcvl_geologic unit.s and at, _tsympt.ot,ic appx'oaches to t,he characteristic soltit.ion. A new mesh was thenconst.ructed by placing mesh points closer t.oget.her, by adding more mesh point.s, in the unacceptableregions. (Surprisingly, you may find t.h.at increasing the nu_nber of me.sh point:_ may occasionally make

&2. SIMULATION OF A POTENTIAL WASTE t:_Et_(),';ITO[_Y IN H'I'I_A'I_IFIE'I) 'I_l_l"F S!}

t,he solution worse; increase or decrease t,he number of txmsh points again alltt it should il_ll,r'ove.) ".l'h,"

solution was recalculat.ed and this procedure was repeated as inany *,imesa.s n,',',.ssary t(, a,:'hi,,v_, an

accepi, able solut, ion.

Looking ahead, note that, in t,he 4 rnm/yr st.eady-sta't.e solllticm thf pressur,, twad is a ,:cm,;t.azlt ii1 mc,st

of TSw2-3 (Figure 3.28). For a col]st:anl, pressure head ii, a sl.eady-sta{.e I_robi,q,l, lh,,' II,_'s[l l:,,,i,lts ('a_t

be spaced very far _.part,. ][owever, because steady-state l',rot_lenls are rolaliv,_ly ,,_.s.y to COll_lmt,:" (il,_

t,erms of comput, er t,ime), reducing l,he mesh t.o t.v,',:_or thr_,e rl_<_shpt,it|t,_ iii l.h,, ilpl_cr part, [' 'l"_;;w'2-3would be more trouble t,h_n it, is worth .....first., he'cause l,he solut.io_; would ha','e io }_e knt,wn i,i _t.,.ivailce,

and second, because t,he upcoming transport calculation n_'e¢ts more n, esh t:,oillts (,%,cliol_ .1._2.{t).

The boundary condition for t,he hydrology prob]_'l'll is a conslal_t, influx _,_'.1 _l_m/yr ( .... 1.27 x 10 -!' i_/s)

at t,he top of t,he column, and a pressure head of 0 m (the wafer l.al_h,) al. t.llc, I_ot.lo_ti of trw colulltll.The lllaXilll.Ulll pond at t,he fop of the colu_ln is specified ;:_s0 n_, but, t.]_is para||wler d,::,,:s I_<,t i)la.y a

par_ in t,he problem. "I'his influx was chosen h_,cause it. resull,s i_ flow i)r(,dt:,_i_t.ly t.t_r(,_gh 11_,..fractures of t,he welded t.uffs.

Figure a.20showst,he. STEA1)Y input,-(lata file for the wast.(.,-repository t,rc,bltq_. N(:,li('c lhat fra,:'l ur,.s

are included in t,he definition of the geologic uni{s and t.h{, fra{:tur{' pr(}t}{:,rt.i{Tsar{-_giv,..n in c.nl.ri,:.s 2, 4_

6, 8, and 1(} in t,he m_-).t,eri_fl-property block. The fract, ure.s are delirl{,d ;ts having the sa_{:: hydrologicproperties {-ussand, Because. t.he fracture porosity is given iii l,h{:,g{,ologic unit. I}l{2,,:'k,it is }ist._,{I a.s I iI_

t,l_e mat,erial-propert,y block (Section 4.2.8).

Figure 8.21 shows the transF, ort, inp_l.-da|.a file for this e×al_lple prc, tde_ti. D}r the l.ra_si}{}rl.

calcult_.tion, the source region is internal to t.he calculatio_lal _esI_, at. an el,:.vation b(.,l.w,:_,ii '2:{():rlIId _2:/_r)

met,ers above t,he water table in unit. '1'Sw2-3. The pol.,,_tt, ial rel)osit.ory is pl;tnn¢'d 1o cover an ar'¢,a ¢,f'

1260 acres (5,1 x 10 _ rn 2) and t.o have 21,000 w_st,e canist,:,rs ilnt,la||t.ed, cont.ait_it,g 70,()()0 t_t¢:'l.ric tons

of heavy meta.1 (MT[lM). The canisters will cover approxittmt,qy ().15% <,f the area of lilt, [,_l:,nti_lrepository,

For t,his example problmn, a source of seven speci,,s cont.ai_,¢,.d in live chains is d,,lin,:_tl

Ctmin 1: aasl..!,

Chain 2: 240p1.1, :_a'_U, 232Th.

ChatI_ a; t4(73.

Cha|n 4, _:_'I'c.

The source t,erm used is a co_tgruent,..leach n_odel. ('ortgruent leach _lwa_s thai ;iii the co_ta_til_a_t.s iiit,he source are released at, a. r_te proport.ional t,o t,he leach rate. of the _l_a.ior co_lat_iu, a_l, i_l this <'_l.se,

aasu, 'I't_erat, ionale behi.nd using o, congruent-leach n_odcl is that. the ('()ll{allllll_tlll.S arc, ali (,n,bv<lch'd

wit,hin t,he major contamir|al_t,, am]. t,hus can on}y be cxpos_,d t.o leaclting as th_. _ajor cc, l_lal_|il_a_ll

dissolves, The TRANS input-dat, a file has a flag t,ha.t, allows choosi_g, the co_|gr,_cnt-I_,..'.|c[_ s,:,urc,, _,,r_t,

a solubility-limit source term, or a source t.erm read fro__ a file (S,:,ctic, n ,1.2.1 ?,). WII_'_ a

¢ongruen_,-leach source t,erm is chosen, l.h,_ major cotlt.aminar_., is the first, one sp,_citi,_d i_ t.hc

eontarninant-propert, y block of t,he TRA N S input,-data fih" (Sect, ion ,1.2 11_). Pr(.q_crl.ies of (.'onl.;,_il_aI_t.s

gild transport-related propert, ies of geologic units (:fill f)c fc)_lltd in ([(7.)c11111(:.111=.'-;[')>' l.l_c' DOE (l{._S6),

'Davis e_, at. (1985), and Da.niels e* al. (1982), as well a.s in _,._lume I.

_** TOSPAC HY'DRO I]IPU?-DATA FILE ***

*_,_*_,,_ TITLE BLOCK ',*_,,****,**YUCCA 140UNTAIN EXAMPLE PROBLE]4

This example problem i_ based on the stratigraphy of drill hole USW--C4.

lt assumes a staady-_tate percolation rats of 4 mn/yr.

**)*,***** CONS'rA}ITS BLOCK ,),)***,)***I000. kg/m,,3 density of _ater

4.3E-_ /m comprestibilit_ of water5._E+_ m,,2 cross-sectional area of coluran

0.l timestep factor0.5 implicitness factor

,,,*.,*,_ GEOLOGIC-UNIT BLOCK ,,*******

5 _ geologic unitsunit # I., ,n_me:CHnzO. m rain elevation129.5 m max elevationI matrix material index2 fracture mater_a! index

4.6E'-5 fracture porosity

26.E-7 /m bulk-rock compressibility2.8E.-8 /m fracture compressibilityunit # 2 ...name:78w2-3129 5 m m/n elevation335,2 m imLX elevation3 matrix material index4 fracture material index

18.E-5 fracture porosity

5.8E-7 /m bulk-rock compressibility

12.E-8 /m fracture compressibilityunit # 3 ...name:TSwl335.2 m Bin elevation465.3 m max elevation5 matrix material, index6 fracture material index

4.1E-5 fracture porosity

12.E-7 /m bulk-rock compressibility

S.6E-8 /m fracture compressibilityunit # 4 ...name:

PTn465.3 m sin elevation503.4 m max elevation7 matrix material index8 fracture matsria] index

2.7E-5 fracture porosity

82.E-7 /m bulk-rock compressibility

19.E-8 /m fracture compressibilityunit # 5 ,..name:TOw503.4 m mln elevation530.4 m _rmx elevation9 matrix material indexI0 fracture material index

]4.E--5 fracture porosity

6.2E"7 /m bulk-rock compressibility

i32.E-8 /m fracture compressibility

*_*_ I,IATERIAL-PROPERTY BLOCK *,,_*I0 # materialsmaterial # 1 ...name:

Cflnz/G4-11 (K]avetter _ Peters, SAND84,.2642)0.28 matgrial effective porosity1 characteristic curve fitI, total saturation0.11 residual saturation

0.00308 /m alpha coeffiecent1.602 beta coefficient

2.0E-II m/s saturated hydraulic conductivityr_terial # 2 ..,name:CHnz/G4-4F (Klavetter _ Peters, SAND84-P_42)1. material effective porosity

Figure 3.20' S'I'EAI)Y irlput.-data, til,, for the wa.,_te-r_.[)osilory sit,,ula.tiott.

3.2. SIMtYI_ATION ()V A t.'()'FENTIA I, WA,%'Tk; IltCI-X),WI'IY)I_YIN ,W'I"I¢ATIFlf'/I) 'I'_'_I"t" !31

I characteri(_tic curve fitI. total saturation0.0395 residual saturation

1.2851 /la alpha coeffiecsnt4.23 beta cool fi¢.ient

20.E-5 m/_ saturated hydraulic conductivitymaterial # 3 name

TSw2/G4-6 (Klavettez _ Petern, SAND84-2642)O.ii nmter_al effectlvs poro_ityI characteristic curve fitI. total saturation0.080 residual saturation0,00567 /m alpha coeffiecant1.798 beta coefficient

1.gE-t1 m/s saturated hydraulic conductivitymaterial # 4 .na_ne•

TSw2/G4-2F (Klavetter _ Peters, SAND84-2642)I. material effective porosity1 charact_rJ.stic curve fi'LI. total saturation0.0395 residual saturation

1,2S51 /m alpha coeffiecent4.23 beta coefficient,

1,7E-5 m/s saturated hydraulic conductivitymaterial # 5 .name:TSwl/G4"-6 (Klavetter _ Peters, SAND84-2642)

0.1_ material effect._ve porosity1 characteristic curve fitI. total saturation0.080 residual eaturat on

1.gE-II m/s saturated hydraulic conductivitymaterial # 6 .name.TSwl/G4-2F (Klavetter _ Peters, SAND84-2642)

i. material e_fect_vs poroslty1 characteristic curve fit1. total saturation0.0395 residual saturat on

1.2551 /m alpha coeffiecert4.23 beta coeffJ cient

2.2E-5 m/e saturated hydraulic conductivitymaterial # 7 .name:

PTn/GU3-7 (Klavetter _ Peters, SAND84-2642)

0.40 material effective poroslty1 characteristic curve fit1. total saturation0.i residual saturation

0.015 /m alpha coef'fiecent6.8'12 beta coefficient

3.9E-7 m/S saturated hydraulic conductivitymaterial # 8 .name

PTn/G4-3F (Klavetter _ Peters, SANDS4-2642)

._. umterial el'fact,iva porosityI characteristic curve fit,i. total saturation0.0395 residual Baturation

61.E-5 m/s saturated hydraulic conductivitynmterial # 9 .name:TCw/G4-1 (Klavetter _ Peters, SANDS4-2642)0.08 material effective poroeity1 characterietic curve fiti. total aaturatio_0.002 residual saturation

0.00821 /m alpha coeffJecent1.558 beta coefficient

9.7E-12 m/s saturated hydraulic conductivitymaterial # 10 .name.TCv:/G4-2F (Klavetter _ Pet,era, SAND84-2642)

I. material effective poroelty1 characteristic curve fitI. total saturation0.0395 residual saturation

1.285] /In alpha coeffiecent4.23 beta coefficient

3.8E-5 m/s saturated hydraulic conductivity

Figur(:, 3.2(): (,'.,,lll,il_u(_l.

92 CIIAPTER 3. EXAMPLE PROBLEMS

*******_*''** _SH BLOCK *************2302 total # cells11 # submeehe_submesh # 1:O. m lower elevation

2. m upper elevation

20 # cells isu_nesh # 2:2. m lower elevation130. m upper elevation512 # cellssubmeah # 3:130. m lower elevation142. m upper elevation120 # cellseubmesh # 4:142, m lower elevation

335, m upper elevation772 # cellssubmeeh # 5:335. m lower elevation

336, m upper elevationI0 # cellosubmesh # 6:336, m lower elevation

465, m upper elevation516 # cef.lhaubmeeh # 7:465. m lower elevation

466, m upper elevation10 # cellssubmeah # 8:466, m lower elevation

503. m upper elevation74 # cellssubmesh # 9:503. m lower elevation

507. m upper elevationi60 # cellssubmesh # i0:

507, m lower elevation

530, m upper elevation92 # cellssubmeah # Ii:530. m lower elevation

530.4 m upper elevation16 # cells

_**_** BOUNDARY-COI_DITiON BLOCK ******1 # time enapsho%sI time conversion number

snapshot # 1O. s problem time12 boundary-condition flagO, m lower-boundary pressure head

-I.27E-I0 m/s upper-boundary fluxO. m max pond height

_**'**_*"**** FILE BLOCK *************none STEADY solution file

ex3steady.plt plot-data fileex3steady,lis output-listing file200 output-listing control

Figure 3.20" (:oncluded.

3,2. SlM[ LA[lION Of" A !}3[ 01EN2IAL B_A.5IL _,k,.t-OS10ltY IN STRA'I'IFIED "l'Ut.'l,'

*** TOSPA_ TRANS INPUT'DATA FILE ***

************ TITLE BLOCK ***_*******_'*YUCCA MOUNTAIN EXASLDLE PRDBLEI,I

This example problem contains _even radionuclides in five decay chains'.

(U-238) (Pu-240, U-238, Th-232) (C-14) (Tc-99) (I-129). lt _ssumesa 70,000 NTHN inventory uniformly distributed on 1260 acres, with wasteon O,18canister-_ailurs time o_ 3,000 years.

*_******_*** SOU_CE BLOCK *_*****_,***

1 eource-t srm flag

_30, m elevation of source lower boundary235, m elevation of source upper boundary5.1E'I'6 m_*2 area of repository0.0016 fraction of repository area covered by contaminant

******** GEOLOGIC-UNIT BLOCK *,*******

8 # geologic uniteunit # 1,,, ns.ms:CHnz

1010. kg/m**3 bulk density

6, /m fracture surface area per unit volume0.33 m fracture spacing13, m longitudinal matrix dimper_ivity13, m )ongitudinal fracture disperaivity30, m matrix velocity correlation lengthi0, m fracture velocity correlation length10, matrix tortuoeityI_ fracture tortuosity

1. n_atrix/fracture coupling factorunit # 2,., name:rSw2-,_

,_300. kg/m**3 bulk density

80. /m fracture surface area per _xnit volume0,025 m fracture spacing21. m longitudinal matrix disperBivity21. m longltudinal fracture diBperaivity30, m matrix velocity correlation lengthI0. m fracture Velocity correlation lengthi0, matrix tortuoeity1, fracture tortuosity

1, matrix/fracture coupling factorunit # 3.,, namo:TSwl

2300, kg/m*_3 bulk density

18, /m fracture surface area per _nit volume0,13 m fracture spacing13, m longitudinal nmtrix disperBivity13, m longitudinal fracture diapereivity30, m matrix velocity correlation lengthI0, m fracture velocity correlation lengthI0. matrix tortuosity1. fracture tortuosity

I. matrix/fracture coupling factorunit # 4,,. name:PTn

i410, kg/m**3 bulk density

2, /m fracture surface area per unit volume1, m fracture spacing3,8 m longitudinal u.atrix diepersivity3,8 m longitudinal fracture diepersivity30, m _mtrix velocity correlation lengthlO. m fracture velocity correlation lengthi0. matrix tortuorityI. fracture tortboaity

1. _mtrix/fracture coupling factorunit # S,.. name:TCw

2290, kg/m**3 bulk density

40, /In fracture surface area per unit volume0,05 m fracture spacing2.7 m longitudinel matrix dispersivity2.7 m longitudinal fracture dispereivity30, m matrix velocity correlation lengt_lO. m fracture velocity correlation lengthI0. matrix tortuosityI. fracture tortuooity

l, matrix/fracture coupling factor

Figure 3,21: TRANS input-d.al ._file fbr the w_.Lst,e-rct>ository simulation,

94 (ILIA I:".I'ER 3. EXA AII'L I'_.1.'I_()I_I,EMS

_**** CONTAM]I_AIJT-PRDpERTY BLOCK *_*_5 # chains1 # species for chain # 13 # species for chain # 21 # species for chain # 3i # species for chain # 4I # sp.cleo for chain # 5

5 # geologic units (consistency check)contaminant # I chain # I species # I... name:U-238

6,7E_? kg initial inventory1.42E_17 s half-life

3,33E--4 Ci/kg activity7000. Ci release limit

50E-2 ks/m**3 solubilityI E-9 m**2/s diffusion coefficient

5 3E-3 m_*3/kg matrix distribution coefficient for unit i (CHnz)

0 m fracture distribution coefficient for unit 1 (CHnz)I 8E-3 m_*3/kg matrix distribution coefficient for unit 2 (TSw2.3)

0 m fracture distribution coefficient fez' unit 2 (TSw2-3)I 8E-3 m_31kg matrix distribution coefficient for unit 3 (TSwl)

0 m fracture distribution coefficient for unit 3 (TSwl)5 3E-3 m_*3/kg matrix distribution coefficient for unit 4 (PTn)

0 m fracture distribution coefficient for unit 4 (PTr,)i 8E-3 m**3/kg matrix distribution coefficient for unit 5 (TCw)

0 m fracture distribution coefficient for unit 5 (TCw)contaminant # 2 chain # 2 species # I,,. na_e:Pu-240

1.4E_5 kg initial inventory2.08E_II s half-life

2.26E.2 Ci/kg activity7000. Ci release limit

4 3E-4 ks/m**3 solubilityi E-9 m**R/s diffusion coefficient

i 4E-I m**3/kg matrix distribution coefficient for unit I (CHnz)

0 m fracture distribution coefficient for unit 1 (CHnz)6 4E-2 m:i_S/kg matrix distribution coefficient for unit 2 (TSw2-3)

0 m fracture distribution coefficient for unit 2 (TS_2-'3)6 4E-2 m_*3/kg matrix distribution coefficient for unit 3 (TSwl)

0 m fracture distribution coefficient for unit 3 (TSwl)! 4E.-_ m**3/kg matrix distribution coefficient for unit 4 (PTn)

O. m fracture distribution coefficient for unit 4 (PTn)6.4E-2 m_*3/kg nmtrix distribution coefficient for unit 5 (TCw)

O. m fracture distribution coefficient for unit 5 (TCw)contaminant # 3 chain # 2 species # 2... name:U-236

2.4E¢5 kg initial inventory7.54E+14 s half-life

6.34E-2 Ci/kg activity7000. Ci release limit

S.OE-2 kglm**3 solubilityI E-'g m*_2/s diffusion coefficient

5 3E-.3 m_*3/kg matrix distribution coefficient for unit 1 (CHnz)

0 m fracture distribution coefficient for unit I (CHnz)1 8E-3 m_*3/kg matrix distribution coefficient for unit 2 (TSw2-3)

0 m fracture distribution coefficient for unit 2 (TSw2-3)i 8E-3 m_,B/kg matrix distribution coefficient for unit 3 (TSwl)

0 m fracture distribution coefficient for unlt 3 (TSwl)5 3E-3 m+*3/kg matrix distribution coefficient for unit 4 (PTn)

0 m fracture distributlon coefficient for unit 4 (PTn)I 8E-3 m:_,3/kg matrix distribution coefficient for unit 5 (TCw)

0 m fracture distribution coefficient for unit 5 (TCw)contaminant # 4 chain # 2 species # 3,,. n_ne:Th'-232

7.0E-2 kg initial inventory4.42E+I'! s half-life

I.IOE-.4 Ci/kg activity700. Ci release limlt

40E-4 kg/m_*3 solubility1E-g m_*2/s diffusion coefficient

50E-I m_*3/kg matrix distribution coefficient for unit i (CHnz)

0 m fracture distribution coefficient for unit 1 (CHnz)50E'_I m_*3/kg matrix distribution coefficient for unit 2 (TSw2-3)

0 m fracture distribution coefficient for unit 2 (TSw2-3)50E-I m**S/kg matrix distribution coefficient for unit 3 (TSwl)

0 m fracture distribution coefficient for unit 3 (TSw!)50E-I m__S/kg matrix distribution coefficient for unit 4 (PTn)

0 m fracture distribution coefficient for unit 4 (PTn)

Figure 3.21' (,ontinucd.

3.2, SlM /71.4 TION 0 F .4 POTENTIAL WA 5'TI!; I_P'.,IK),_'I'I'OI__" IN ,_'1'1_.4T! 1,7El) 'i'l_l,'l" !!_,i

5.0E-I m*_3/kg matrix distribution coeffzcient for unit 5 (TOw)

O, m fracture distribution coefficient for unit 5 (TCw)contaminant # 5 chain # 3 species # I.,, name:C-14

13. kg initial inventory1.81E*ll s half-life4.45E+3 Ci/kg activity7000, Ci r,lease limit

1,1. kg/m**3 solubil.ty1E-9 m**2/s diffusion coefficient

0 m**3/kg matrix distribution coefficient for unit I (CHnz)

0 m fracture distribution coefficient for unit I (CHnz)0 m**3/kg matrix distribution coefficient for unit 2 (ISw2-2)3 m fracture distribution coefficient for unit 2 (TSw2-3)

0 m**3/kg matrix distribution coefficient for unit 3 (TSwl)

0 m fracture distribution coefficient for unit 3 (TSwl)0 m*_3/kg matrix distribution coefficient for unit 4 (PTn)

O, m fracture distribution coefficient for unit 4 (PTn)

O. m*_3/kg matrix distribution coefficient for unit 5 (TCw)O. m fracture distribution coefficient for unit 5 (TCw)

contaminant # 6 chain # 4 species # I.... n_ne:Tc-99

initial inventory@.78E*IS'4E_4gs half-life

i.70E.l Ci/kg activity700000, Ci release limit

99. kg/m*_3 _olubility1,E--9 m*_2/s diffusion coefficientO, m**3/kg matrix distribution coefficient for unit 1 (CHnz)O, m fracture distribution coefficient for unit I (CHnz)

3,0E-4 m**3/kg matrix distribution coefficient for unit 2 (TSw2-3)O. m fracture distribution coefficient for unit 2 (TSw2-3)

3.0E-4 m**3/kg matrix distribution coefficient for unit 3 (TSwl)O, m fracture distribution coefficient for unit 3 (TSwl)

O. m**3/kg matrix distribution coefficient for unit 4 (PTn)

O. m fracture distribution coefficient for unit 4 (Pln)

3,0E-4 m**3/kg matrix distribution coefficient for unit 5 (TCw)O, m fracture distribution coefficient for unit 5 (TCw)

contaminant # 7 chain # 5 species # i.., name:1-129

!.3E.4 kg initial inventory5.02E_14 s half-life

1.74E-1Ci/kg activity7000. Ci release limit

130, kg/m**3 solubilityI E-9 m**2/a diffusion coefficient

0 m_3/kg matrix distribution coefficient for unit i (CHnz)0 m fracture distribution coefficient for unit I (CHnz)

0 m_:,3/kg matrix distribution coefficient for unit 2 (TSw2-3)0 m fracture distribution coefficient for unit 2 (TSw2-3)

0 m**3/kg matrix distribution coefficient for unit 3 (TSwl)0 m fracture distribution coefficient for unit 3 (TSwl)

0 m**3/kg matrix distribution coefficient for unit 4 (PTn)O, m fracture distribution coefficien_ for unit 4 (PTn)

O, m**3/kg matrix distribution coefficient for unit 5 (TCw)O, m fracture distribution coefficient for unit 5 (TCw)

,_*** BOUnDARY-CONDITION BL_CK ******29 # time snapshots4 time conversion number

7 # contaminants (consistency check)snapshot # 1O, yr problem time12 boundary-condition flag

0 kg/m_3 contaminant # 1 lower-boundary matrix conc

O. kt/m**3 contaminant # 1 lower-boundary fracture cone

O, kg/m**2/s contaminant # 1 upper-boundary matrix conc-flu×

0. kg/m_2/s contaminant # 1 upper-boundary fracture conc--fluz

O, kg/m**3 contaminant # 2 lower-boundary nmtrix conc

O. kt/m**3 contaminant # 2 lower-boundary fracture coneO. kg/zn_2/s contan_inant # 2 upper-boundary matrix conc-flux

O. kg/m_2/e contaminant # 2 upper-boundary fracture conc-flux

O, kt/m**3 contaminant # 3 lower-boundary matrix conc

O. kg/m_*3 contaminant # 3 lower-boundary fracture cone

O. kg/m**2/a contaminant # 3 upper-boundary matrix conc--flux

O, kg/m_2/e contaminant # 3 upper-boundary fracture conc-.flux

Figure 3.21' (:ontilJu_!d.

'9(_ CHAPTER 3, I';XAMPLI,_ PROBLEMS

O, kg/m**3 contaminant # 4 lower-boundary matrix coneO, kg/m**3 contaminant # 4 lower-boundary fracture co_¢O, kg/m**2/s contaminant # 4 upper-boundary matrix ¢onc-flux

O, kg/m_*2/s contaminant # 4 upper-boundary _racture conc-fluxO. kg/m_3 contaminant # 5 lower-boundary matrix concO. kg/m_*3 contam/nant # 5 lower-boundary fracture cone

O. kg/m_,2/s contaminant # 5 upper-boundary matrix cone-fluxO. kg/m.*2/s contaminant # 5 upper-boundary fracture conc-flux

0 kg/m_*3 contaminant # 6 lower-boundary matrix cone

0 kg/m**3 contaminant # 6 lower-boundary fracture conc

0 kg/m**2/s contaminant # 6 upper-boundary matrix cone-flux

0 kg/m_*2/s contaminant # 6 upper-boundary fracture conc-flux

0 kg/m_*3 contaminant # ? lower-boundary matrix conc

0 kg/m**3 contaminant # 7 lower-boundary fractur_ cone

0 kg/m_*2/_ contaminant # 7 upper-boundary matrix cone-flux

0 kg/m_*2/s contaminant # 7 upper-boundary fracture cone-fluxsnapshot # 21000, yr problem timeO0 boundary-condition flagsnap_Lhot # 32000. yr problem tlmeO0 boundary-condition flagsnapshot # 43000. yr problem timeO0 boundary-condition flag_napshot # 5-lO00, yr problem timeO0 boundary-condition flagsnapshot # 65000. yr problem time00 boundary-conditlon flag

snapshot # 76000, yr problem timeO0 boundary-conditlon flagsnap,hot # 87000. yr problem timeO0 boundary-conditlon flagsnapshot # 98000. yr prob]em t_meO0 boundary-condition flag

snapshot # 109000, yr problem time _, "O0 boundary-condition flagsnapshot # ii10000, yr problem timeO0 boundary-condition flag

snapshot # 1215000. yr problem timeO0 boundary-condition flag

snapshot; # 1320000. yr problem timeO0 boundary-condition flagsnapshot # 1425000. yr problem tlmsO0 boundary-condition flagsnapshot # 1530000. yr problem fi_me

O0 boundary-condition flagsnapshot # _635000. yr problem timeO0 boundary-condition flagsnapshot # _740000. yr problem time00 boundary-condition flagsnapshot # 1845000. yr problem time00 boundary-condition flag

snapshot # 1950000 yr problem timeO0 boundary-condition flag

snapshot # 2055000. yr problem timeO0 boundary-condition flagsnapshot # 2160000. yr problem timeO0 boundary-condition flagsnapshot # 2265000. yr problem timeO0 boundary-condition flag

Figure 3,21: C,ontinued,

3.2. SIMULATION OF A POTENTIAL WAS q E REPOSITORY IN ,_ I ItAIIblED TUFI,' 97

snapshot # 2370000, yr problem timeO0 boundary-condltlon flagsnapshot # 2478000, y¢ problem timeO0 boundary-condition flagsnapshot # 2580000. yr problem timeO0 boundary-condition flagsnapshot # 2_85000, yr problem timeO0 boundary-condition flagsnapshot # 2790000. yr problem timeO0 boundary-condition flagsnapshot # 2895000. yr problem timeO0 boundary-condition flagsnapshot # 2gi00000, yr problem time

_************ FILE BLDCK ********_****ex3steady,plt STEADY plot-data fileex3tranB.plt T_ANS plot-data fileex3trans.lis output-listing file200 output-listing control

Figure 3,21' Concluded.

98 CttA P'I'EI_. 3. EXAMI'LI'; PI?()III, EMS

The boundary conditions are t,he same for each contalninant. At, the top of l,he column there is zero

flux in both the matrix and the fractures; i.e,, no contaminant can cross the to 1) boundary. At l.ll('bottom of the column there is zero concentration in both the mat, rfx anti t,he fractures. 'l'be

zero-concentration boundary implies that any contaminaut reaching tl,e bottom boundary is

immediately and Cot,ally ejected fronl t,he me,sh, diffusing int,o the large I)ocly of water below t lte wat,_,r

table, TOSPAC alk)ws specification of both Ilm.trix and fracture boundary conditions in order t,_)

handle problems where, for exanlple, a contaminant is injected only into a fracture at l.]lc t(,p t)ollJl(lary.

The initial condition for each COlll,alllillallt .is zt,ro concentration everywhere. '['his stal.e is l.]w dcfau]l.

initial condition and therefore does not appear as a data block in tile tra nslmrt input-data file.

Section 4.2 contains a more complel.e discu.ssio, of the t'orzlmts and data retll:irer_leill,s for thehydrology and transport input-data Iilos.

Once the input-dat, a files are created, rh(, calculation proceeds _ts in Chat)l,er 2. '.I'OSI'A(.] is execul.e(land wit.bin the 'FOS PACt SII I!]l.,L, first, S'I'EA I)Y, and t hen TRA NS is executed. On a 1)I,;C VA X 8700

colnput, er, S'FEADY execution takes apl,roxinial,ely one lltinute of colnputer processor time; t,hcTRANS run takes apl)roximately 40 nlinul, es of con*lputer l)rocessor time.

Storage requirelnent,s for the output files znay be of importance to the user, l,'or the hydrologycalculation, the STEADY output-listi:_g tile is al)proximate_ly 3,10kilobytes Io_lg when re,,mlts for ali

mesh points are printed, and the S'I'EADY plot:data file is approximately ,100 kilobytes long. For the

transport calculation, l,h,e 'I'RANS outptlt-listing file is approxixnately 16 megabyte.s long when result,s

for ali Inesh points art; printed, and the 'I'RANS ph.)t-dat.a file is 8 megabytes long. The. extreme lengthof the transport files is caused by the large Immber of mesh points and the mlnd)e.r of contantinaTll, s.

While the output-listing file can be shortened (in the file block for the 'IT'I:{ANS ilJput-.data Iii,:.,.only

concentrations at, every 200rh mesh cell are to be printed out at each tilrle snapshot), the concentration

for each contaminant at, every lnesh point is recorded in tlm plot-data file to avoid missing potentially

significant behavior. IJsillg a lnesh wil, h fewer points, more tailored to this problem, would reduce thesize of these flies.

Figure 3.22 presents a portion of tl:e STEAI)Y output-listing file, showing the second half of the filecontaining the results of the exarnple conqmt, ation. S('('tion 4.7.3 contains a dis('ussioll of the fornmt of

a STEADY output-listing file. The firs{, lines show the. boundary conditions. 'l'he next lira; tells us that

a total of 354 iterations was performed. Actually, because S'I'EAI)Y solves the t)robl(ml in pi(_celneal

fashion, this figure is not it,erat.ions of the complete znesh; r;:tth('r, it is iterations of mesh segll_(_t_ts of at

_nost 120 mesh points. The second line sta.tes that the worst deviation frol_ the correct sleady-sta.teflux is only 1.4%, and ii, occurs at, mesh point 2lea, corresponding to an elcva.tion of 505.,15 m.

The final values of various calculated quantities (pressure head, flux, hydraulic conductivity, etc.) aregiven next. These values a.re given for every 200th mesh cell, a user-specified option in the file block of

the input-data file. Following this group of results is another collection of calculated (tuantiti('s(saturation, average linear velocity, etc.) in colu_ms.

The tinal section of a STEAI)Y output-listing file gives t,ravel-time infor_nat, ion for the entire coluuu_.

The eq_at.ions used to calculate travel time for steady-state flow _tr(, given ir_ Section 2,2.1 of 1;olu_e I,

A discussion of travel time for this example is given below in the description of Figure 3.35.

A l)ortion o:f the TRANS output-listing til(:.',is presented in Figure 3.23. Section 4.7.10 contains a

discussion of the format of this file. The first block shown contains the hydrologic data used by

TRANS. Every 200rh mesh cell is reported, as well as the mesh points tlmt border the source region

3.2. SIMULATION OF A PO:,'ENTIAI... _%tS'I'E REPOSI'I'OI{Y IN STRATIFIED '/r't_t"t;' 99

F_)o_L C,OI_D__1,0]_S _0F ],r,ESH

A%r,rlS_AGEC',OL:_41_SAT+UBA_IDN = O.g'g_4_D]'I.LVOID VDt,U_,_E,, 4,_2.3_,6E_8

',IOT_'L _'ATER 'VOL.III_E= 4.61967@,%.;_"08_OIAL AI'& _fOLI_E = ,171703TOTA'L l_'_,_'IS_'IiAS:S= 4 _g,i579E_ll

BOU)_D_R¥ CD)_DITI:OI_S: FL_,G = 12,F.LU};= -._.27'000_- I0

BOT'IO'_JPRE$;SVIt._:RE_:D -" 3.000_OOE_O0

23.03 5 g I0 630.._ -I.0_.2 ,O,O090E,O0 -1,2700£-I0 -8._05gE-12 -I.1860E-_0 I 26_8E-I02200 6 9 I0 5.08.3 "_...013 ,0._418g -_.'2847E-_0 -8.AODBE-12 "I._BO6E-.tO I 2_45E-I0

2'051 4 7 8 .503.4 -3.8.88 i.6_87,E-02 -I._.702E-_0 -_ 2702E,,10 -3.O'/SBE-2g 3.5477E-072'000 4 7 8 48:5Fi -2'0.98 _.7043E-02 -_,2698E,-_O ,-1.26_8E-I0 -_.224_E-2_ 3 8805E-.07_gS._ 3 5 _ _8.5 3 -0.7888 1.871gE-O_ -I.2B_SZ-,IO .,7._563E-_I -B._416E*}I _ 2700E-I01800 3 5 6 _'7 5 -0.78.8,8 l,g@57E-O_ "_.2'7C3E-I0 -1.84_,8E-I_ -I.0853E-I0 I 2703E-I016,00 3 _ 6 377.3 -0.78.8.8 '_,g,g,STE-O_ -1.2_03E-_0 -_.84g,6E-,_ -I.0853E.,I0 I 2703E-I0_27 2 3 4 3,36,2, -0,91_22 ,_.18,_6E-05 -1 ;1700E-tO -2._88,8E-I_ -1,05,31E-i0 i 2_ggE"'lO_00 2 3 4 _28.8 -_.g'522 1,8165E-02 -_ 2898E-lO -1.8412K-1_ -_.0857E-10 1 2_gSE-lO1200 2 3 4 271_ 8 "0.9522 1.8155E-02 -! 26g8£-I0 -_1.8_2E-.II -i.0857E-I0 I 2898E-_O_OGO 2 3 4 2:28,8 -0.g5_'2 1.8155E-02 "! 2898E-_O -1.84_2E-1.I -I.08.57E-_..0 %._698E-lO

80,0 2 3 4 178.8 "0.9,622 1,815,5E-'0_ -I 28gSE-'_O -1.8412E-II -I.0857E-'I0 I 2e@8E-lO60,0 2 3 4 _36.7 -0 g522 _.8_&SE"02 -_ 2'6'gBE-10 -1.8412E-I_ -I.0857E-_0 I 2698E-lO5_1 1 l 2 12_.6 -_.09,6 1.7072E-03 -1 2700E-I0 -_.Og41E-l_ -1.0606E-_0 1 2700E-_0_0,0 1 _ 2 _,8,76 -_.09'8 4,85_E-03 -I 27'O1E-lO -1.8720E*_1 -1,O_,2_E-_O ! 270_E-10200 ! 1 2 48.76 -_ Og'6 _,8_._E'03 "! 27'01E-10 "_.8720E"1_ "l.o82gE'lO I _'701E-lO

'_ ! £ 2 O.O'O00'E_O0 O.O'O'OOE_O'O 'O.O000E*O'O "l 2'700E"_0 "2.7374E-13 "t.2'673E-10 g 2200E"Og

J UI_IT l_T F_JT S_ DS_T S_'l'),_IT SA'f.rRI_ VF,L VE;LI_,I,T 'q&I,FRR23,03 5 g _0 0,9997 4,2653E-0,_ 0,9g'98 0 36g_ -C.5QO3_;-OQ "1.05,32E-%0 -2 B63BE..082'2'0,0 5 g _'0 O,g'g'g7 _._:(_8E-04 O,gg'g8 0 8_g_ -,1,£837E-09 -1.0532,E-_0 -2 5659E-06205! _ 7 8 0,g,8_5 3.192gE-03 0.9815 8 9,503E-02 -4.4831E-10 ,-4.,_831E.-_0 -! 7788E-_g2000 _ 7 8 O.g_,g7 8 g276E-O6 o.,gg_g7 3 gB23E-02 -3.BRS,3E-lO -3.5283E-,10 -I gTO4E-17IgS_ 3 5 _ _,OOO ! 0330E-04 _.00,0 0 5928 -7.8534E-I0 -_.3741E-I0 -2 72'00E-08_80'0 3 B 6 _.00,0 I 0,_30£-04 _ 0,00 O.5929 "'__S5,OE-Og -_.82'77E-10 --47S36}_._0_1600 3 B _ 1.00,0 _ 0330E-04 _.OC,O 0 5'_29 -_..25BOE-Og -I.15277E-:,0 -4 783_E-06I_27 2 3 4 .O.ggg9 2 2'7D,6E..O._ _.000 0 _2_.'2 -_'._545E-09 .-2.1,135E-I0 -_ 8880E-0,6_'_00 2 3 I# 0 g,#gg 2 27@,6K-.04 _.000 0 4211 _,2541E-09 -l.8197E-_O -! 5803E-0,8_20'0 2 3 4 0 _'g_99 _ 27_,6}:'-04 1.0,00 0 _211 "I.25.QIE-O9 "I 8_97E-_0 -1 5803E-06_O,O,O 2 3 _ 0 g@9_ 2 27_,6K-0_ l_O0,O 0 &_}1 ,-_.25_E-.Og -I 8187E-_0 -_.5803E-06

800 2 3 ,(; 0 g'g'g9 2 27_,_E-04 1.000 0 421! -I 2541E-09 -1 8197E"I0 -_,5,805E-06E,O0 2 3 4 0 _,9,gg 2 2'19,6E-04 l,O00 0 4211 -l,25,_E-Og "-_.8197£-%0 -_.5803E-.0_5531 _ 1 2 0 g'_'99 8 _8E-05 _.000 0 3}0_ .'5.g85,0E-tO -9,8895E-11 -._.518_,E-0,6400 ,} 1 2 0 g'g'gg 8 3.3_8E-05 1.000 0 3_0% --5.09,67E-_0 -7.6125E.-11 --8,6g,8.BE-O820,0 1 " 2 0 g'_}'gg 8 33_SE-OB 1.000 0 3101 -5.098'7E.._0 -7.6_25E-_I _8.6985E-_6

_ ! 2 I Or)O O.O00,OE.O0 1.000 ,O,O,O -5.0956E-10 -l,0985E-_.2 -.2,868_E,-06

. ',. ' " _ ,' (_R,OU')_D'I,'I,'A'I'E3E TR./_VEL 'I :I),,_E,." w,,,,

S'I&._TPO,SIT]O)Y= 530._0E.)_DF'OSI_IOI_' = 0.000,0,0E.00

_V'ERAGE I"AS"J"E,STP_I{IICLE "-=0,10,8623,82E'12 S;E,C:.,CO,_4PDSI?E : O.15,(,6,_2'9,,B_-E*_2 _'£C

.)¢.A,I:RI,IC= ,0.383,62112E._13 S;_C ( 9'9'87'_ OF _GE)

CILCUL,tTIOI_L c'u'Iorr13EE;D'lO PE_:B_I,I,_._REf;C'G._,qFICA)_'I/L.O_' : O.}O0,OOE-O_

Fig:u,re 3,22: /:%rr,of the STEADY out p ut,-list ing I]l_?fi:._rthe waat,,:.-repo_it o ry _simu lat ion,

100 CUAPT'ER 3. EXAMPLE PROBLEMS

(mesh cells 10(}4 and 102,1), and the cells at t.he unit boundaries (mesh cells 1,530, 1426, 1953, 2050,and :2302). Ttm second block of dat, a reports the transtmrt coefficients used by TRANS for ea.ch

comaminant (only the. first, com.aminant is shown).

After the ver'/.ical ell:.psis (nsed t.e denote the ommission of several tields of data), the result.a are shownfor snapshot 15, occurring at timest.ep 573, at, a time of 9.46728 × 1011 s or 30,000 yr. The timesteple_:_gt,h is 1.11132 x l& s, or approximately 35 yr, between timestep 572 and 573. Shown first arc theconcentratiorls in the matrix and fractures fbr every cr,ntaminant. Every 200lh mesh cell is shown,

mesh cell_ at. the boundaries, the geologic-unit, int.er(a.ces, and the boundaries of the source region,

Next, data related to the mass conservation in the comput_ation are shown Ibr '.imestep 573, Massconservation (also called mass balanc,_) is a men,sure of the accuracy of the calcula_,,ion. Of mos_

interest, is the final cohjnm, showing the per,:ent ditferen,:e bet.ween t,he rn_.ussactually in the problemand the mass that should be in the l',roMeJn. For :'aSUand _a_l.l the difference is negligible; for :_aaTh,14C, a:_"*l,and ('_9'i"c,the difference is approximately 1%; for :_4°pu, the difference is 1,62Negat.ive valuesindicate that ma.ss has been lost. in t.he calcula.tion; positiw • vahles indicate that mass has been created,

The other colunms in this block tell where the mass is located; e.g., in the matrix or fracture water, h_the source region, adsorbed to the surface of the porous media, etc.

'I"he final g.rotlp of result.s is the anlotlnt of rn_s.s rele_sed from the problem domain by timestep 573.The relea.s,., values are positive: posit.i,ve values indicate t.ha,t the contaminaat h;._s left, the column;negative v,zlues indicate that the. conI..aminant, has entered the column. Cumulatiw:_ rele,'_'_eis the

alnount that, crosses the boundar._ .......decay is not conside;'ed once it. is outside the ntesh; total release isthe actual anlount, out,side the boundary, considerine decay. The results show no activity at the upperboundary. For the lower boundary, :_4°Pu shows no release, but the other contami_ants show varyingreleases; more than ,1 kg of bot.h "'_'Tc and 12"_Jl.are released, There is more :_a2'I_l_outside the mesh thancrossed the boundary because :_a':i[lcontinued to decay into :t'a2Th out.,,ide tlm mesh.

I'qgures 3.2,1 through 3.,1_!;show plots cc,nst,ructed by the 'FOSPAC OUTPLO2' module and areexamt_les of some specific capabilities of OUTP[,OT. These plots are not, the same set Ks thosepresented in l,'olume 1, although there is some duplica, tion. Sections 4.6.3 through 4.6.8 also ,containsreh_rences to these plot,s. ,Rather than repeat the discussion given in Volume .1', we concentrate onissues of importance to t,he user: interpretation of the plot.s and determining correctness of I,he solution,

The S'I'I_;ADY plot,s are presented in the order given in the OUTPLOT (STEADY RESULTS) menu,See.lion 4.6.8 contains a discussion of the STEAI)Y plot,s available from OUTPI, OT, and the followingplots are ,:ross-.referenced there.

Figure 3.24 presents the mesh/stratigraphy plot. This plot shows the layout of the mesh and thegeologic unit,s with respect t.o elevation. The mesh is shown a,s a colunm of rectangles, Bach rectanglerepresent,s t,e_. mesh points (a user-specified opt,ion ....with 2303 mesh points, if each rectanglerepresented a single mesh point, the area would be solid black). Notice that in regions where meshpoint,s are closely spaced the rectangles are t,hinrler. 'I'i_ the left, of the mesh the mesh points arenumbered by hundreds (a user-specified option). To the right of the mesh are la,rger rectanglesrepresent, ing geologic unit,s. The unit number, na,me, and the names of the matrix and fracture

mat,erials are given wit,bin the appropriat;,e rectangle. The elevation is given to the right of each unitint,erface. This plot should be compared with t,he conceptual mo",d given in Figure 3,1c}.

The chara,.'.teri.stic curves for t,he fracture material used in the TSw2-3 geologic unit is presented inFigure 3.25. These plots ca,n be useful "-asa check on the input data.

r_ , p)3.2. SIM',LATION OF A POTENTIAL WASTE REPOSITORY." IN STRA I IFILI. "1"11t;'I,' lO1

HYDROLUOIC qUAHTITI£S:

MES_ UNIT NATRIX FRACTURE I,_ATRIX FRACTU_.E IDVECT IVE_L # ELEV MOISTURE HOISTURE VELDCI_Y VELOCITY COUPLING

23,02 B 530.4 7 gg72E-02 5 1787E-05 -I 0511E-lO -2 2OOOE-08 -4,5065E-t42200 B 808,4 7 9972E-02 6 1725E-05 -I 0511E-lO -2 282gE-06 .-1,0043E-182080 4 503,4 0 3928 I 0666E-08 -3 2352E-10 -2 4893E-23 3.38B4E-28200,0 4 485,8 0 3ggg I 0671E-06 -.3 1755E-I0 -1 0101E-20 -4.5050E-27_,983 3 485.3 0 1t00 2 4307E-05 -1 8810E-10 -4 4833E-06 -I.0814E-Og1800 3 427,4 0 1100 2 4309E-OB -1 8815E-I0 -4 4849E-08 O,O000E+O0leO0 3 377.4 0 1100 2 4307E-06 -I 8815E-I0 -4 464gE-06 O.O000E+O01428 2 335.2 0 1100 7 5808E,-05 -I 6744E.-I0 -t 4324E..Oe -8,5472E-II140,0 2 328.9 0,1100 7 8807E-05 -'I 6742E,-10 -I 4321E-08 0,0000E+001200 2 278,g 0,1100 7 5807E-05 -1,6742E+I0 -I 4321E-06 0 O000E+O01024 2 234.9 0,1100 7 5807E-05 -1.67'42E.-I0 -1 ,4321E-Ot_ 0 O000E+O01004 2 22g.g 0,1100 7 5807E-05 -I,8742E'.I0 -I.,4321E,-08 0 O000E+O0tO00 2 228,g 0.II00 7 5807E-05 -I.8742E-I0 -1.4321E-08 0 O000E*00

800 2 178.9 0.1100 7 5807E-05 -I,8742E-I0 -1,4321E-08 0 O000E+O0_00 2 138,8 0,II00 7 5,807E-05 -I,8742E,-I0 -1,4321E-06 0 O000E+O0ft30 1 12g,4 0,2800 1 4288E-05 -8,685gE-11 -7.5902E-08 .-I 7758E-II400 i 98,88 0.2800 1 4288E-(_5 -8.886_E-II -7.5908E-08 0 O000E+O0

200 }, 46,88 0.2800 1.4266E-05 -8.8861E"1! -7.EgOSE"06 0 0000E+O01 _ 5.0000E*02 0.2800 4.Egg7E'05 -g.77(iOE-13 -2.7551E"08 +I 5408E-15

TRANSPORT ¢_OEFFICIEN_S FOR SPECIES 1 OF DECAY CI_AIN 1: U-238

N/E_[ I/NIT HATRIX FRACTURE IdATRIX FRACTUrtE DISPERSIVE_,KL_ # ELEV RETARD RETARD DISPERSN DISPERSN CDIYPLI)']C,

2302 15 530.4 52.54 I .000 I.O000E- I0 I.O000E-Og I.2798E-08_200 5 B08.4 52,54 1. 000 1, O000E- 10 1. O'O00E-Og 1. 2796E- 08=OEiO 4 503.4 20,03 1.000 l .O000E- 10 1. O000E"Og 1. 5705E" 10_'000 4 485.8 19.8g 1.000 I.O000E-IO 1.0000E-Og 1,EggBE- 101_53 3 485.3 38,84 _.000 1.0000E-I0 I.O000E'O_) 2.8034E-09

TIt_Z S'£F2 0 TII4E O.O000JE+O0 DELTA TI_{E 0.'00000E.}00BOUI_'DAR¥ CO)_DITIO_S: FLAG = 12 SNAPJHOT l

I U"238 BOTTOM: )4A'£CONC= O.O000E+O0 FRAC CONC= 0.0000E+00 TBP: _,{ATFLUX= 0.0000E+00 FRAC FLUX= O.0000E+O02 P_t-240 BOTTON: HAT CONC= 0.0000F+00 FRAC COliC: 0.0000F*00 TOP: I,_ATFLUX: O.C,O00E+O0 FRAC FLUX: 0.0000E+003 U-236 BOTTON: HAT CONC= 0.000'0E+00 FRAC CONC= O.O000E+O0 TOP: NAT FLUX:: 0.0000E*00 FRAC FLU};= 0.0000E+004 Th"232 BOTTON: _AT CONC= O.O000E+O0 FRAC CDNC= 0.0000E+00 TOP: I,+IATFLUX= 0.0000E+00 FRAC FLU);= 0.O000E+O06 C'14 BOTTON: I_AT CONC= 0.0000E+00 FRAC CONC= 0.0000E*00 TCP: HAT FLUX: 0.0000E+00 FRAC FLUX: 0.0000E+006 T¢'gg BOTTOP,: MAT CONC= 0.0000E+00 FRAC CONC= 0.00'00E+00 TCP: NAT FLUX= O.0000E+OO FRAC FLUX= 0.0000E+007 I"129 BOITOH: NAT CONC= O.O000E+O0 FRAC CONC= O.O000E*O0 TOP: t4AT FLUX=" 0.0000E400 FRAC FLUX= O.O000E*O0

_ll_ BIEP _73 _IME g,46728E+II DELTA Tll,_ l,ll132E+OgBQUItDA_tY CO_'DI71DNS: FLAG = 12 SNAPSHOT 15

% _"_38 BOTTOI4: MAT CONC= 0 0000E+O0 FRAC CONC= 0.00,00E+00 TOP: t,_ATFLUX= 0 O000E+O0 FRAC _LU_= O.O000E+O02 PU"240 BOTTON: 14AT CONC= 0 O000E*O0 }:'RACCD)_C= 0.0000E+00 TCP: IdAT FLUX= 0 O000E+O0 FRAC FLUX= 0.0000E+00

rJ-_,38 BOTTDH: i4AT CONC'= 0 0000E+00 FRAC CONC= 0.0000E+00 TOP: ldAT FLUX= 00000E+O0 FRAC FLUI,::O.O000E+O0,I TR"232 BOTTOM: },4ATCDNC= 0 0000E+00 FRAC CONC= 0.O000E+O0 TCP: I,_ATFLUX= 0 0000E+00 FRAC FLUX= 0.0000F+005 _'14 BOTTOm: M.',YCC)']C=0 O000E+O0 FRAC CONC= 0.OC'OOE+O0 TOP: HAT FLUX= 0 O000E+O0 FRAC FLUX ;+;.0.0000E+008 _¢'gg BOTTON: ).,IATCONC= 0 0000E+00 FRAC CONC= 0_0000E+00 TaP: I_,ATFLUX= 0 0000E+00 FRAC FLUX: O.O000E+O07 I'l_g BOTTDI4: 14AT COHC= 0 O000E+O0 FRAC CONC= 0.0000E*00 TOP: IdAT FLUX= 0 0000E+00 FRAC FI,UX: O.O000g+o0

U-238 Pu-24.0 U-236 Th-232

_SH UNIT HATRIX FRACTURE ),_ATRIX FRACTURE )4ATRIX FRACTURE I_A_RIX FRACTURECF_I,.L I ELEV Ct)NC CONC CDNC CO)_C CD},_C C'DNC CD)lC C(3NC

_,302 _5 530 4 O.O000E+O0 O.O000E+O0 0 0000E+00 0.0000E_00 0.0000E+00 0 O000E+O0 0.0000E+00 0 0000E,002_00 5 50.. 4 O.O000E*O0 O.O000E*O,O 0 O000E+O0 O.0000E+O0 0 O000E+O0 0 O000E+O0 O.O0,00E+O0 0 0000E*00_'0_0 4 503 4 0.0000E,00 0.0000E+00 0 0000E*O0 0.0000E+00 0.0000E+00 0 O0'00E*O0 O.O000E+O0 000COE*O020'0,0 4L 485 8 O.O000E+O') 0.0000E+00 0 0000E+00 O.O000E+O0 O.O000E+O0 0 O000E+O0 O.O000E"O0 0 O000E'O01_)83 3 465 3 O.O000E+00 0.0000E'00 0 O000E*O0 O.O000E*O0 O.O000E+O0 0 0000E+00 0.0000E+00 0 0000E"001800 3 427 4 O.O000E+O0 O.O000E*O0 0 0000E+00 0 O000E*O0 O.O000E*O0 0 0000E+00 O.O000E+O0 0 0000E+001800 3 377 4 O.O000E+O0 O.O000E+O0 0 O000E.O0 O.O000E+O0 O.O000E+O0 0 O000E+O0 O.O000E+O0 0 O000E+O0_4_48 2 335 2 O.O000E+O0 O.O000E+O0 0 O000E',O0 O.O000E*O0 O.O000E+O0 00, O00E+O0 O+O000E+O0 0 O000E+O01400 2 328 g O.O000E+O0 O.0000E+O0 0 0'O00E+O0 O,O000E.+O0 O,O000E+O0 0 O000E+O0 O,O000E,+O0 0 O000E+O0

%200 ;I 278 g O.O000E+O0 O.O000E+O0 '0O000E+O0 O.O000E+O0 O.O000E+O0 0 3_OOE+O0 O.O000E+O0 0 0000E+O01024 2 2_4 g 2,298OE-05 2,2975E-05 4 8g44E"lO 4,go66E-lO 1.3242E-07 1 3250E'+07 2,g779E-'12 3 0607E-1210'O& 2 230 I 5.9632E-05 5.g631E-05 5 3148E-I0 5.3251E-10 3.4338E-07 3 4337E 07 2.6573E-12 2 712gE-12_000 2 228 9 5.7507E-05 5.7508E-05 3 0173E'I0 3.0260E+I0 3.3088E"07 3 3088E-07 8.5137E-13 8 6266E-13

Figure 3,23: Part, of t,he TRANS out, put,-list, ing file for t,he wa,stc-repository simulatior_.

10'2 CttA PTEt:¢ 3. EXAM P LI" PRO HL EAIS

800 2 178.9 8.784gE-06 8.7862E-06 2 6944E-'31 3 0724E_'31 4.6114E-08 4.6122E-08 3,3068E-14 3.3077E-14600 2 136.8 5.0363E-07 5.0379E-07 0 O000E_O0 0 O000E_O0 2.4440E-09 2.4448E-09 9.9042E-16 9.9085E-16

530 I 129.4 2.5681E-07 2.6646E-07 0 O000E+O0 0 O000E+O0 1.2305E-09 1.2777E-09 1.0172E-15 7.1411E-16400 1 96.88 3.9857E-I0 4.3566E-I0 0 O000E+O0 0 O000E+O0 1.7722E-12 _.9397E-12 1.134SE-18 1.2553E-18200 i 46.88 8.5561E-16 1.0067E-15 0 O000E_O0 0 O000E*O0 3.5783E"18 4.2!41E-18 1.3651E-24 1.6225E"24

1 1 5.0000E-02 8.5037E-24 1.0521E-23 0 O000E*O0 0 O000E_O0 3.4526E-26 4.2748E-26 1.7413E-36 2.0466E-33

C-14 Tc-gg 1-12g.......................................................................

],_SH UNIT MATRIX FRACTUIL_ MATRIX FRACTUR_ MATRIX FRACTURECELL # ELEV CONC COliC CONC CO_C CDNC CONC2302 5 530.4 O.O000E*O0 O.O000E*O0 O.O000E+O0 O.O000E_O0 O.O000E_O0 O.O000E+O02200 5 508.4 O.O000E*O0 O.O000E*O0 O.O000E*O0 O.O000E*O0 0 O000E_O0 O.O000E*O02050 4 503.4 O.O000E.O0 O.O000E*O0 O.O000E_O0 O.O000E*O0 0 O000E,O0 O.O000E*O02000 4 485.8 O.O000E_O0 O.O000E+O0 O.O000E+O0 O.O000E.O0 0 O000E*O0 O.O000E*O01953 3 465 3 0 O000E+O0 O.O000E400 O.O000E400 O.O000E_O0 0 O000E+O0 O.O000E_O01800 3 427 4 0 O000E_O0 O.O000E+O0 O.O000E_O0 O.O000E_O0 0 O000E+O0 O.O000E_O01600 3 377 4 0 O00OE+O0 O.O000E*O0 O.O000E_O0 O.O000E*O0 0 O000E*O0 O.O000E*O01426 2 335 2 0 O000E*O0 O.O000E_O0 O.O000E+O0 O.O000E+O0 0 O000E+O0 O.O000E_O01400 2 328 9 0 O000E400 O.O000E400 O.O000E400 O.O000E*O0 0 O000E+O0 O.O000E_O01200 2 278 g C O000E_O0 O.O000E+O0 O.O000E*O0 O.O000E*O0 0 O000E*O0 0 O000E*O01024 2 234 g I 3239E-13 1.3248E'13 1.8850E-08 1.8862E-08 5 0356E"09 5 0388E-09I005 2 230 1 3 8075E-13 3 8074E-13 5.4033E-08 5.4032E-08 i 4533E-08 I 4532E'081000 2 228 g 3 8039E-13 3 8039E-13 5.3911E-08 5.3911E'08 ! 4532E-08 I 4532E-08800 2 178 g 3 7974E-13 3 7974E-13 4.7845E-08 _.7845E-08 I 4531E-08 i 4531E-08600 2 136 8 3 7966E-I._ 3 7966E-13 4,0906E-08 4,0906E-08 ! 4527E-08 I 4527E-08530 1 129 4 3 7963E-I_ 3 7963E-13 4,0255E-08 4,0275E-08 I 4526E-08 I 4526E'-08400 l 96,88 3 7900E-13 3 7900E-13 3.6768E-08 3.6779E-08 I 4499E-08 i 4_99E-08200 i 46.88 3 £_43E-13 3 6643E-13 3,0253E'-08 3,0265E"08 1 4011E-08 I 40!IE-08

1 1 5.0000E-02 I 4612E-15 1 3g53E-15 1.0928E-I0 1.0441E-I0 5.5848E-Ii 5 3327E-II

MASS CONSERVATION TIME STEP 573 TII,_ 9,46728E*11MASS MASS

IN MESH INJECTED

CHAI_ SPECIES MATRIX FRACTURE ADSORBED PRECIP SOURCE T BDRY B BDRY • MASS INTO PF_RCEIiT# # RAME MASS MASS MASS MASS MASS MASS MASS RELEASED MESH DIFF

I I U-238 1.07E_03 7.37E-01 4.03E*04 O.OOt_O0 6.70E_07 O.OOE+O0 -5.07E-14 4.14E.04 4.14E404 -7.70E-04

2 1 Pu-240 2.71E-03 1.87E-06 3.63E*00 O.OOE400 5.97E+03 O.OOE_O0 O.OOE*O0 3.63E400 3.69E*00 -1.62E+002 2 U-236 5.98E400 4,11E-03 2.25E_02 O.OOE_O0 3,74E405 O.OOE*O0 -2,05E-'16 2.31E_02 2,31E_02 2.47E-022 _ Th-232 1,75E"05 1,22E-08 1,82E-01 O.OOE+O0 2.g4E_02 O.OOE*O0 -3,g0E-21 I,S2E-OI 1,81E-01 5,72E-0i

3 1 C-14 8.51E-05 1.86E-08 O.OOE+O0 O.OOE_O0 3.46E-01 O.OOE*O0 -1.26E-04 2.IIE-04 2.14E-04 -l.lgE400

4 1 Tc-9g 8.45E.00 2.22E-03 1.76E_01 O.OOE_O0 4.90E*04 O.OOE_O0 -4.11E*00 3.02E*01 3.03E*01 -3.27E-01

5 1 1-129 3.26E'_00 7.10E-04 O,OOE_O0 O.OOE+O0 1,30E_04 O.OOE+O0 -4.69E_00 7.94E_00 8,02E+00 -9.66E-01

14ASS RELEASE

CHAII_ SPECIES _DP TOP BOTTOM BOTTOM# I_AI,IE TOTAL CUI4ULATIVE TOTAL CUMULATIVE

1 1 U-238 O_OOE_O0 O,OOE*O0 5 07E-14 5.07E-I_

2 1 Pu'240 O.OOE*O0 O,OOE+O0 000E*O0 O.OOE*O02 2 U-236 O.OOE_O0 O.OOE*O0 2 05E-16 2.05E-162 3 Th--232 O.OOE*00 O.OOE*O0 3 90E-21 O.OOE*O0

3 I C-I,I O.OOE,O0 O.OOE_O0 1 26E-04 4.52E-04

4 1 Tc-99 000E_O0 O,OOE*O0 4.11E+00 4,18E_00

5 1 I'-129 O.OOE_O0 O.OOE_O0 4.69E_00 4.69E_00

Figure 3.23: (?,oncluded,

3.2. SlM ULATION OF ,4 POTENTIAL WASTE REPOSITOt_.Y IN STRATIFIED TIII,'F 103

YUCCA MOUNTAIN EXAMPLE PROBLEMCalculational Mesh

600. -

2303 ___ 530.4 m----_, LlnL L 5= TCv

____ Ptot_Lxl TCw/¢4-1 (KloYottor I PQter¢, SRN084"'26421

2100 _ rr=t..... _,/=_-_ _Ktov.tt_=_._., ._-_ 503.4 m500. -2000 .... ,_,L_4, _T,

I_'Lxt PTn/_U3-7 (KLovILL_" LI PIt_¢'_ 5RH[]8_-2_421f'roctura_| PTn/g4-3Y (KLoveLLIN"--- PoA._re, SRN1_4-2642)

465.3 m---.... _--_

19001800

1700 _-- _,L__, rs_400. -- _--- I_Jt_'lx: TSwl/@'t-6 (Klc_Itt_ I Pet.mc'e, SRN084-26421rro_Curo=' TS_I/_4-2F (KLawtLmr A Pal.icl, SPd_084-26_21

150014,00 _-_----= 335.3 m

_0 .1.300 _._ 300. =_--_

1200 --_____._._

Ii00 ----'-_-----="K--_?----_1000 =-='---'--_ _L_ _,, _r._,,2-_-- l_trlx_ TSv2/G_-B (Ktav_t.t_ I Pit_P_, _-26_21

"-_--_----7 _'ro;tur'tll _$v2/gt-2r IKt.ovitLer I Pit_ra_ 5RN084-25_2)

200. 900800 ....

700 -_:--_s

600 ---_--------_ 129.5 m500 ='_

I00. 400 _--__--=________

300 ..... u_, _, _,--- I_rtx_ 0t1_z/@4-11 IKlovottmc t Plvmcm, ._RNL_4-26_=21

200 _ r_o::..... _:,/_v,_r ,_.,,_ , _.,.., _v.'_2,-_..__--._-----

100 /=:=__

O. 1 _---_.-- O. m

Figure 3.24" Mesh/stratigraphy plot, for the waste-repository sinmlatio..

104 CHAPTER 3. EXAMPLE PROBLEMS

YUCCA MOUNTAIN EXAMPLE PROBLEMCharacteristic Curves for TSw£/G4-2F

(Klavetter' & Peters, SAND84-2642)1,0 ......

!iii iii'_ 0.6

_ 0.4g] 0.2

0.0 , ilO-t 10 o tO t

Suction Head (ni)

10 6 ..... : ..__._..............

,_ 10 2

,_ 10-2

I0 -4 , m .... _ tr ilO-i I0 o lO 1

Suction Head (ni)

Figure 3.25: Characteristic curves h_r the fracture material used for unit J.,.wz-,_ in the waste-repositorysimulation,

3.2. SIMULATION OF A f:'OTENTIAL WASTE REPOS.ITORY IN STt_.ATIb'IED TUFF 105

Jib solve aftow problem, TOSPA(J uses a composite of the matrix and fracture charact,eristic curw.'s.T.he curve of composite hydraulic conductivity versus pressure head for one of the geologic units ispresented in Figure 3.26. Composite means the area-weighted average of the nmtrix a_ld fractures. Theplot, shows both the characteristic curve for the matrix nlaterial and the curve for the fracturematerial, along with the curve for the conLposite material.

The curv.., of composite capacitance versus pressure head f_r 'I'Sw2-a is presented in t"igure 3.27. Aswith the hydraulic-conductivity plot, the capacitance plot, shows both the characteristic curve for thematrix material and the curve for the fracture material, along with the curw.' for the comt_osit, ema_,erial, Capacitance is not used in a steady-sl.ate calculation, as explained in Section 2.2 ofVolume I. This plot is included to illustrate capacitance in a geologic unit that he_sbot,t_ matrix andfractures; Figure 3,7 illustrates this plot, for a geologic unit l,tl;,t is Ilot fractured.

The plots of composite hydraulic conductivity and composite capacitance can be used {,oill/,erpretresults (the capacitance plot is only of use in interpreting tral_sient-Ilow calculations). STEADY andDYNAMICS solve for pressure head. The u.se.rcan Lake the pressure head returned by these modulesand determine where on the conductivity and capacitance curves Lhc,modules were working. If ii, is anonlinear region of the curve, TOSPAC', will be less elficient, will require more iterations (and for

DYNAMICS, smaller timesteps), and inay require a finer mesh-point spacing.

Figure 3.28 shows the plot of pressure head versus elevatioll for the exanlple problenl. Pressure head is

the unknown variable in the dift'et'ence equations in STEAl)Y. l_ressure head is calculated usingI)arcy's law and, in a partially saturated regime, the hydraulic conductivity is d(-:pendent Oil pressure

head. Note that the pressure head is approximately -1 m for tzlost of the mesh. b'-on_ Figl:r_' ;/.26 ii,can be seen that -1 m corresponds to a con'posite hydraulic conduct, ivity of approxilnately 4 I1ml/yr(the same as the imposed flux), and that the composite-conductivity curve is very steep in this region.I.,ooking again at Figure 3.27, -1 m corresponds to a capacitance coefticient of approximately2 x 10.4 ni -l, and this value is near a local rnaximum iii a highly mmlinear 1":'.-',,of the curw_.

Figure 3.29 present,s the saturation in the matrix, the. fractures, amt the composite material versuselevation. For this problem, the matrix-saturation curve appt_ars iden_,ical to the composit('-saturatioJlcurve. 'rbe fractures constitute less than 0.01% of the area of the rock; their co_ltribution to the

composite saturaI, ion is negligible at this scale.

At 4 tnm/yr infiltration, the matrix and the colnposite material of the colulnn appear almostcompletely saturated. Only near t,he T(ilw/P'I'n interface, where the highly condtlctiw_ PTn unit i,_attempting to drain TCw, is the saturation noticably less than one. The fractures, on t,he ottler hand,approach residual saturation in the highly porous, nOllWe}(h,d PTn, and are al, c(mlplete saturation atthe water table. Most of t,he geologic units show fractures between :?,0%and 60% saturated.

The normalized flux w>rsus elevation is presented in Figure.' 3.30. Normalized flux is the calculated ttuxin t,he composite material divided by the imposed tlux, Flux is norln.alized to allow the user to see in astandard way how much the calculat, ed steady-sl, ate result differs from the exact result. TOSPAC alsoallows Iogarithnlic and linear plots of the c'_lculated flux in the composite material, in the matrixmat.erial, and in the fractures (Sections 4..:1 and 4.6.,t). l)_'viations above the TCw/l_'l'n interface andat the bottom boundary are less than 1.5 {_,ms reported in the S'I'I_;AI)Y outpul, listing (Figure 322).'this deviation in this limited region is co_sidered acceptable for this probh::rll,

Figure 3.31 shows the average linear velocity of water in the matrix (the average linear velocity is alsocalled the pore-water velocity). Average linear velocity is calculated by dividing t,he flux by the area

available for flow.....the difference of moisture content and residual moisture content (v = q/(O .- Or)).

"I i _" "1106 C tlA PTER 3, EXAMPI, I'_ I_I¢OBLLMS

II; "_

o_ i i ? i /:.,- :

_ ii_._ .......................................

z cJ C

0 (i'iiiic..)

I,_ _ Hu,_ t .,,,, , .i,,,, , i _ .,_,lJ , ., _l, , l,,i,l,i _ i_iL_._.. (:3

t_ 0 _'3 0 C_ 0 0 I I I I

(,I£/uIm) £_l.l:,tI_or/.puo b

Figure 3.26: C',ornposite hydraulic conduc(,ivit, y used for ullil, TSw2-3 in I,he wast,c-reposit,ory simula/,ion.

3.2,. SlM ULATION OF ,4 POTIqNTIA L WAS'I't'; I_.I_PO,5'I'I'OICY IN ,S"I'RATIb'II_I) 'l'tll,'t,' 107

Figure 3.27' Composit.e capacitance coefficien(.s used for unit '.l'Sw2--3 in the waste-repository sinmlati,.)u.

108 CtfAPTER 3. EX.AMI"LE PItOBLEMS

................. i ........ i ......... i ......... i ...... _'": : : : _ c5......... : _-'--:',__-_.--u___ : ......... _D

: : ,_t.----------" : ._

O_ _ od(D

_.a¢) ...........................................................

Z_ _ -_¢) i

Z_m¢/1(D%

o d d d c_ _ dI I I I I

(t_t) peoH oansS_ad

Figure 3.28: Pressure-head results for the waste-repository simulation.

3.2, SIMULA'I'ION OF' A POTENTIAL WAS TL REt 0,_I 1 OR} IN S I RA IIF ILD rI'UI"F 109

.................................. I ................ ' ..... _''

ca_ _ d© o

_-_ ................................................................

Mm 0_ .,_

_.)C do.el

H . _ - "

uo_.:_ean?es

Figure 3,29: Saturation p_ofiles for the w_ste-repository sinmlation.

110 CItAPTEI_ 3, LXAMI_LIi_ 1 t_()I_LLMS

................ ,-" ._. ,-_._ ......... ,. _

a_N_ ........ ,

i iiii _- --- ii

xnId p z.qe oN

Figure 3.30' Normalized flux I-rofile for the waste-repository simulation.

3,2, SIMIU, ATION OF A t)07'ENTIAL WASTE t_,EI."OSITOI_,Y IN S'I'I_A_I'II,'IEI) '1'I:1,'1" 11l

For a giw_n flux, a lower saturation produces a greater average linear w_locity, 'l'he spikes at, i,lleinterfaces _tre caused by chaiiges iri the nioisture content and changes iii the mnould, of flux wit,hill l,hematrix of each geologic unit, Notice how a,sharp decrease in the saturation of TC,w near its interfacrwith PTn (Figure 3.29), plus the fact, that, l,here is significant [low in the T(',w fractures but vir{,uallynone in the P'I'n fractures, causes a, velocity st)ike.

Figure 3.32 presents tt. _'average linear w,locity of water ill the fractur(_s. P'l"n i:; the only ullit thatdoes not nla.inl,ain significant flow in tlm fraci, ures at an infiltra, tion rate ()f4 tnni/yr. 'l'l.. wa,tervelocity in the fractures in the other u.its is apl)roxilnately four or(lers of zliagnitu(le Iligher than t,hecorrespoilding wat,er velocity in the nm, trix (Figure 3.31). The area of ttw fractures, and titus (,It(:areaavailable for flow iri t,his case, is a,pproxilna, l,ely four orders of magnil,udr lower l,h_xntile area ()1'tilenial,rix.

Exaniination of Figures 3.31 and 3.32 rewm, ls what appears to be colltradictory results. 'l'he watervelocity in the matrix drops off sharply at the very bott, oln of ftle nmsh, q'he bor(ohi bouwl(larycondition is held at, zero pressure head (the water l,a.bh..), saturating both the nl!d,rix and l,l._ t'racl,ures.Most, ()('the flow occurs iii the fractures because of their greater saturated colld.cl,ivity. Soniewllatsurprisingly, the water velocity in tile fractures also drops off at the I_(_)ttoiiiof l,lm nl('sh. 'l'he saturatedstate, iniposed on the fractures raises the nloisl,ure corfl,ent (tile area available for flow) mid hml('.(;lowers tlm w_locity.

The plot._ ()f nmtrix, fracture, and conlposite hydraulic conductivity versus elevation _Lr(?l)resent(_d ii(Figure 3.33. Notice that for most of the mesh (units "l'Cw, TSwl, q'Sw2-3, rold (.',linz) ii.' COml)osite.conductivii,y equals the flux (4 lnm/yr). This condition is called the "characteristic solution" in S_c.l,i(.)li2.2 of Volume 1. The con(luctivity does not equal the flux ilnnmdiatoly above unit, i_d,ert'aces and atthe bottoln boundary. Iri these regions, the pressure head is controlled t)y the ('harac.terislic solution iIithe unit below the interface (or arbitrariiy set, at l,hc be(rein boundary). The charact(_ristic solul, iol_ isreac.hed ove,r a short distance for most units, The excel)t, ioll is PTn; if the P'l'n unit we.re t,hick (mougll,t,he hydraulic conductivity wollld ew;ntualty equal l,[m flux.

Figure 3.34 presents the capacitance coetticient versus elevation, Although capacitallce is m.)l,a fact,orin this stea(ly-staW, problem, ii, is included here for comphCeness,

Figure 3.35 presents a bar chart of travel times for a l_article of water frozrl the ground surface to thewater table, l.Jsing the average linear velocity of tlm water, four different travel t,in._s are cal('ul_d,,'d:

1) Minimunl tra,vel time: t,he time it, takes a parti(:h; of water I,o (:ross a (listalice by tt.' quickest,route through either the lnatrix or fractures.

2) Matrix travel l,inie: the time it, t_tkes to cross a distance if the t)article stays in the _natrix.

3) Fracture travel tinm: the time ii, takes to ('ross a distance if tlm particle stays in the fractures.

4) Comt)osil,e travel time: the time it, takes to cross distance a,t,l,lie area-weighted _tverage linearvelocity in the matrix and the fractures.

Travel time across a cell is calculated by dividing the distance across the (:ell by the, average liil(,arvelocity of water in that cell. Using the average linear velocity of water in tlm matrix returns the tr'tvel

time in the matrix; using the average linear velocity of water in the fractur(-,s returns the travel time i_lthe fractures. To calculate the mininmm travel time, the fastest path (_natrix or fract_lres) t[_at,supports al, le_t 1°_ of/,he total flux is used. (This lC)f,value is called the ('Oml)utationa.l (:utolr value. II,

112 CttAPTEli, 3, EXAMPLE ,PROBLEMS

iii...........:.___1......._.............._..........._........ : .............. : ........... _...

ON _ d_._

,,--4N

Figure 3.31' Average linee_r velocity of water in |,tie matrix for the waste-.reposit.ory sinmlat, ion.

3,2, SIMULATION OF A POTENTIAL WASTE REI OSI'IOR_ IN STItArl'IFIED 'I'U/_'I_' 113

.........iI.....,.._.........:.........................._........... ;>.............i........... .2.__..... __ doLo

dmmm d

; °M_ ....................................................... f""N,

ILiil l 1 ..L hlllL L i t . [IiLLi I I i ILlll I L ,3-__ J_Llll I .[ ! L__ llilll l.t I .

Figure 3.32: Average linea_r velocikv of water in the fra,ct,ures for the wast,e-repository simulat, ion.

I 'I, " " _j ' "t114 CttAPTER 3. _;XAMI LE PROBLEMS

11111111111::117 '°°,[,.I

::_'4 ,I

(_ .i li 0,I r,#"i

_ .+,._ ',i

u ili<,IlilIL# lllllill I liilllll I [ililll i i' lllllill I I tlllllll I Itllllll I llillll I I iillilii i illllll I 1

O Q O _ 0 _._ 0 Q I I I.-4 .-4 .-4 ,pi ..-i .-4 .-4 .-4 0 _

,,i,-4 ,-,,,,.4.-4

(_Z/_m)zZT._!'_onpuoo

Figure 3.33" Hydraulic-conductivity profil_m for t,he wast,¢._-reposit,ory simulat, ion.

---li_|

*,l 'll,'_,irI i,l,I, , ' " ' _ rl_' ' Ill iwI , ,,111, ,,,r_ ii ,', ' I! rl I'l lllilliill' I_#' 'ii, li III _r, II I!1 '111 r, Iii 111lr IIIH'ill" Iii I' Illl li lr lll_l Pl IIli II _rillill '' i'i'II' i,illfi I,r,lril:H_ll, I , ,

3.2. SIMULATION OF A POTI_;NTIAL WAS'III'_ RI';POSITORY IN STRATII_II_'I) 'l'lJt"r, _' 115

............... i ...... . ................................[ _' "

_c> -/ d

ZN _ _0

Figure 3.34: Capa.citance-coefficient, profil(_s for _,he v,,ast,e-reposit,ory simulat.iori.

116 CHAPTER 3. EXAMt'LE PROBLEMS

Figure 3.35: Travel time of water for t,he mill-t, aihngs and waste-repository simulations,

'_11'..... til " 11==_I"' =',=','=1=_ i,,r,l=_,'II'l'll,_n '= llll]lr_'==l= '_'," ',' I'll'II,,I, "' ' '111,11II......

3.2. SIMULATION OF A POTENTIAl, WAS'FE REPOSITOI_Y IN STRATIt,'IED TUFI,' 117

was arbitrarily decided upon after noting that the travel t,imes were insensitive to cutoff wdues between0.01% and 10%,) To calculate tile composite travel t,i_ne, the area-weighted average of the wdocity inthe matrix and t,he fractures is used. The minimunl traw'l time is an apl)roximation of the worst-casetravel time. The composite travel time is an apt)roxillm.tion of the travel time of a nollsorbillg tra.cer.

For the travel-time plot, the travel tirnes are calculated between any two locations in the coluzllnspecified by the user. If the top and bottom are specified (the default), the tinles plotted are tJle seineas the total travel times in the outpllt-listing file. For t,he plot in Figure 3.35, travel tim(_s for I)oth thepotential-repository simulation and the simplified mill-tailings sin'`ulation are plotted, showing that 'multiple STEADY runs can be. included on a single plot. '['his capability is nlore useful for co_lll)aringseveral similar problems, rather than unrelated problems such as in Figure 3.3,5. For examph_, traw;ltimes for different stratigraphies could be compared, or travel times for the sanle stratigraphy withvariations in the hydrologic parameters. Sect,ion 4.6.3 contains details.

The travel times across ali the cells between the particle start position and end position are sul_lnled toreturn the values reported in the output-listing file (Figure 3.22). If the water flow is negligible in ttwmatrix in a cell (i.e., the travel t,ime approaches infinity), then the travel time in that cell is Ilotincluded in the sum of matrix travel times. Negligible itow is defined _.u'_less t,han 1% of the total [lux,Travel time for water in the fractures is similarily constrained. The percentage of the range t.llatactually contribut, ed to the travel-time, calculation is listed in parentheses. A percentage less t,hall 100indicates that there was negligible flow in part, of the column.

For this problem, with a computational cutoff of 1%, the minimuln groundwater travd t,irne .....theapproximate worst-case travel tirne.......is 3500 yr. The conq_osite travel t,itne .... the approxilnate traveltime of a nonsorbing tracer .......is 20,500 yr. The groundwater t,raw?l tinm for tlow restricted t.o i/mmatrix is approximately 125,000 yr; although flow through the matrix is negligibh? across 0.1% of thecolumn (i.e., flow through the matrix is less than 1% of the total across 0.1% of the colunm), i"or tlowrestricted to the fractures, the travel time is approximately 6 yr; although fracture flow is negligibleover 7% of the column.

Figures 3.36 through 3.45 pertain to the transport calculation. Fach figure is au exanq._le froln acategory of the OUTPLOT (TRANS II,ESUH'S) menu. Section 4.6.,.5contains a discussion oftransport plots and these figures are cross-referenced there.

Figure 3.36 shows average linear water w?locit.y versus elevation ilJ.both ihe nmtrix (s_,lid line) and thefractures (dashed line). The average linear velocity showr_, irt this figure is not tile sa111ea.s the averagelinear velo('ity in Ii'igur_,s 1:1.:31and 3.32, though they are very close _ost of l,he t.i_J_:,.In l.he ]ly(lr(,/ogyrnodules of TOSPAC,, the water (,hat represents (,he residual nloisture cont('n(. ((e.g., water ll,oh_c)._lesheld in tension in very small pores) is subtracted front the total nl()isture cont(:?,)l,, (,o yield an eff(,c(ivemoisture content. The. average linear velocity of water ia then calculat.ed by dividing the flux by thiseffective moisture content: v = q/(O - 0,.). In TRANS, the average linear wat,er w'loci_,y is calculatedby dividing the flux by' the total moisture content: v = q/O. The residual water is included in (hetra.nsport velocitoy calcu.lation because contan)inan(,s cat,, diffuse into the residual water fro_l) (.l_e

flowing water and this diffusion can slow the ow._rall progress of the col_t,at_inant. Using only theflowing water as the hydrologic background would overestimate the contamina_tt, t,ra)_sport.

[;igure 3.37 presents moisture cont,ent versus elevation in bol, h the nmr,fix (soli(l line) anti (he fractures(dashed line). Moisture content is the product, of the saturation and the mat.erial porosi(.y. 'I'll(,moisture content shown in this figure is the total moisture content, as used by 'I"RANS to calculate theaverage linear velocity of water.

-i ) -1118 CHAPTEI¢, 3. EXAMI LE Pt_OBI, EMS

Figure 3.36: Average linear velocity of water (considering the residual saturation) for the w,a.s......repositorysimulatiort.

3.2 SIMULATION OF A POTENTIAL WASTk; t_,EPOSITORY IN STt_A'I'IFIED '11(1t"F 119

........ ,'/ ....... ', ........ ,......... ,' "1 ...... ,......... , ........, , , I , ,

........ , ......... , lr. ,. _..,,. t. _., _ ...... , . _1, 0

fill ° °_ ........................................... :........

Oo _ o

o dN __ C

CJ._ dC.)_ o

................. ._, ............................ d

0 I I I I I I I•,-.4 0 0 0 0 0 0 0

._uo_uooaan_s_oN

Figure 3.37: Moisture-content proliles For the w_ste-repository simulation

1 .,} • -.1120 CHAPTER 3, EXAMt LE PROBLEMS

Figure 3.38 shows the plot of dispersion coetficient versus elevation for 99Tc, The solid line indicatestile dispersion coefficient for the matrix water; the dashed line indicates the dispersion coefficient forthe fracture water. In 'I'R,ANS, the dispersion coefficient operates as follows: tile greater the dispersioncoefficient, the greater the tendency of a concentration front of a contaminant to spread as it moves;hence the sooner the leading edge of the contaminant front reaches the boundary.

The dispersion coefficient for a contaminant in the matrix water is calculated as follows

(Equations 3.1-5 and 3.1-16 from Volume I ):

D*iDI,,= + Ivml,

where D *i is the diffusion coefficient for a contaminant from the input-data file (Section 4.2.15), v,,, isthe tortuosity of the matrix materiM from the input-data file (Section 4.2.14), am is the dispersivity ofthe matrix material (discussed below), and v,n is the average linear velocity of water in the matrix.i3Lquatlon 3.1-17 in Volume i gives the dispersion coefficient fbr fractures, which is similar to thematrix equation. From the discussion for Equation 3.1-51 in Volume I,

= - exp(-#l)],

where c_m_,is the matrix dispersivity from the input-data file (Section 4.2.14), # is one over the

matrix-velocity correlation length from the input-data file (Section 4.2.14), and l is distance thecontaminant has travelled. TR,ANS sets c_,,._and c_j (the dispersivity for the fracture material) to zeroupstream from a source region, thereby not allowing dispersion upstream (although diffusion upstrealnis still allowed). Downstream from a source region, the dispersion coefficient increases a.s anexponential of the velocity correlation length and the distance traveled until ii, reaches the dispersivityinput variable.

Figure 3.38 reflects zero matrix and fracture dispersivity upstream from a contarninant source, howeverthe dispersion coefficient is not zero because of the diffusion term. Downstream from the source regionthe dispersion coefficient is shown to increase over distance. Note that below the interface between twogeologic units (below the Cttnz/TSw2-3 interface in Figure 3.38), the dispersion coefticient changes toits new value by the same exponential function given above.

The dispersion coefficient in the fractures is much greater than in the matrix for two reasons:

1) the tortuosity of the fractures is less than that of the matrix, which increases the diffusion term

(most noticeably above the source region), and

2) in the lower two geologic units, the average linear velocity of water in the fractures is greaterthan that in the matrix by several orders of magnitude, which increases the hydrodynanfic

dispersion term (noticeable only below the source region because hydrodynamic dispersion onlyoccurs downstream).

At the bottom boundary, the dispersion coefficient decreases abruptly in response to the decrease in

average linear water velocity near the water table (Figure 3,36).

Retardation is a composite of several mechanisms (not ali raodeled in TFLANS) that combine to slowthe transport of a solute through porous rnedia. The greater the retardation, the more slowly acontaminant is transported. Figure 3.39 presents a plot of the retardation factor versus elevation for99'I'c. Again, the solid line indicates the retardation in the matrix; the dashed line indicates theretardation in the fractures.

3.2, SIMULATION OF A POTENTIAL WASTL t_EPOS1TOI_Y IN STRA_._IFIED TUFI_' 121

Ii I • III 7 III __ -- I i! i_,,

l_l!" .........._I ............. o

0 I "_ ¢::;_ °

°o ...........................................................i 000

_C_ ....... ,;............................ ......0fml

iiiI f i i ll|Ili I I i ]lJIlli i I JilI_l I i i hilIJi I j _liJl _ i i Jl|ill I i I . hJI li |A_J

I I I I I I I _ "-41O O O O C_ _

(s/_**ua)%uo_o_jjOODuo_saods!c[

Figure 3.38: Dispersi0n-coe_icient profiles _br _VTc in the waste-repository simuhttio..

122 Ct:IAI .IER, 3. EXAMPLE I-R( BLEMS

_, i li_ ii i, ..... ,,,

• _ _ C_.... "_ 0

"_ 0U _

0 _ d_'_

°,,-4N

_l_o ...... . .......... . .......... . ........................

mmnmmamt_,,,_mmiii ii I nil inl

_o._p,_9_

Figure 3.39" Rct,_rdation-f_cl;or profiles for !*!*Tcin the wast,e-rcposil,ory simulal, ion.

3.'2. SIMULATION OF A PO'I'I_JNTIAL WAS'TI,_ I_£'POSTI'OI_.Y IN S"I'I_.A'I'II,'II_D Till:l,' 123

TRANS calculz-_t,es retardaLion fact,ors in Lhc mat, rfx arid fr_,cl,ures as follows (f'rotll l'_qUatiOllS3.1-12

and 3.1-13 in Volume 1):PbIx',,

lt'.,,,,= 1+r'li

_n dcrI K.

.le: = 1 + _,O:

where/_,,, is t,he bulk (lensit,y of a geol,.,gic unit (from t,lle inl)Ul,-(lal,a file); .IC._a,d Ix',, are 1,hedisl;ribution coetticielqtl,s ff)r a cont,_.unin_rmtin the m_-tt,rix an_l t'ra.ct,tJres, respectively, for a geolol._ic uli it,(from t,he input,-dat, a file); trr' is the fracl, ure wall arei_,per ullit, volutne of a geologic ullit, (t'rolll til,input-dal, a file); and 0 is t,lie rlloist,ure cent,ehi,

A value ot'1 for the rel,ardat, ion ft_c{,or implies no rel,;_rdatioll. When /'-'d= 0 or /x',-_= 0, ttlell 1:,,,. = 1

or I_,: = 1, respectively. In Figure a,a{),the rel,t_rdat,ion iii l,he ['racl,tires is one (i.e., no rel,a.rda.l,io_l)because /X'a wa,s set, t,o zero for "q':'Fcin the 'I'RANS inpul,-dal, a file. _'!:"I'cis also unrel,arded iH l,hemat,rfx of t,he nonwelded uHit,s, PTn and C11-[nz,and l,llis condil.iolt is reflected in the pie,l,, I?,eca.use l,h,-'t'noisture content is nearly cons_,anL in t,he matrix of l,lle welded units (li'igure. _.37), ttle retarda.t, ioHstays nearly const_mt. Not,e t,hal, the ret,ardal, ion showll in Vigure 3.39 is only the rel,ard_-_.l.ionresull, itigfrom adsorption arid not fron_ _-myc,l,lier effect,s, such as _tml,rix dift'usiott

Figure 3.40 presents l,he pier of l,he coupling consl,a.n_, versus cicval;ion for *i'!:".l'c,'l'l_e dashed li_e

indical;es the st,rengi, h of l,he coupling between l,he fracl,ures and l,tie ttm.l,rix caused by llial,rix dift'usion.Ma.t,rix diffusion is t,he t,endency of the conl,amin_-ml,concenl, ra,t,ions in l,he _nal,rix a.tld 1,11oI'ra,cl,ures I,o

equilibrat,e by the process of difrusion. The effect is most, apl:m,renl, u h,:tl a conta_fi_attt, beitlg ca.rriedrapidly down a fracl,ure is pulled inl;o t.he mat, rfx. 'Phe greal,er l,he COul)liHgwdue, l,he _nore qt_ickly t,tteconcerll,ral, ions t,end t,o equilibral, e.

'I'he solid line shows l,he st,rengl, h of l,he coupling bet,ween l,he f'racl,urcs _tHdl,he t_a.t,rix caused by_-_¢lvecl,ion. 'lT'lliseffecl; t,akes piace IHosl, oft,en bel,weeH a geologic uHil, wlmre [love is pred,.._t_liHaltt,ly irit,he fracLures alld OIle where flow is predotninantly in Hie _natrix. lti l,lie _rea. wlmrc wa.t:t'r t,rattsf'ersfrom one system t,o the. oi,her, l,he advecl, ive coupling is stro_lgest, as showti by tt_e Sl)ikes in t.lm tigur(_.Where wal,er l,ra,lisfers advect,ively from fra.ct,ures t,o Hm.t,rix, l,he spikes are positive; where transfer isfrom m_t, rix to fracl,ures, the spikes are negative, l_ec;:_usethis l)lof is (:,n ;_ loga.ril,hlHic scal_,, only 1.1_('tYacl,urc-l,o-ma,Lrix (posil, iw_) spikes are shown.

BoU_ COul)ling const,ants are defined in Volum.e I, I!]quat,ion 3.1-4(). (Advecl, ive coupliHg is r0.1)resonl,edby Ai; matrix diffusion coupling is represented by Au.) flow l,tt,:se. COllSl,alll,sIii, iii t,lle n_;_l,rix-fr_.cl,t_i'ecoupling term of the transport, model is given in Eqt_al,iot_ 3. l-'l!J of Vol.umc I.

l'igure 3.41 present,s a plot, of' concent, ration versus elevation for t,he radiot_uctide !'>l'c. 'l'h_, dift'cretlt.,curves represent, concentrat,ions at dift_renl, ti_rm Stml)shot,s. The initial conceut, r_-_t,ion is zero; as l.il_lc

p__sses l,he release from the source region increases in proporl, ion to the dissolul.io_ c,l'u:_Sll ((.'.o_lgrue_lrelease). Advection, hydrodynamic dispersion, and ditfusion carry {,h0.C()llldlrlllill&ll{,(.]OWII{,lieco]lllllll.

Dispersion occurs only downsl, re_m of l,he source in 'I'I{ANS as re(lccl,ed iH l,l_c F,lc,l,. l)iff_sio_ occursin both direct, ions; however, the water welocity is sutticie_, to push t,he diffusing cont,an_in_nL Imckt,hrough t;he source region, ]lence, l,here is lithe mowm_enl, of cont,anfinalt/, above t,l_t.',sotlrcc,

The influence of the difDrent, reta.rdation fact,ors of t,he geologic ut, it,s is visible in l,he 20,000-yr l,i_lie

line, The concentrat.ion moves downward t,hrough Cllnz fasl,er than t,hrough '1'Sw2-3 (Figure '3.?,!_

......... , ....... 0 ......... ° .............................

I *........ ...______L .... _,4..,,,.,,,.___1 ' ,, ..... * . . "'," . , :_=___,,.. ,. : :_ . . , : . • . . .... o

(_ _ , , ,

Zo ", "_

_-_1_,..,...... ....... ,.......................... ,...................

I||lltl i hilli| i i hillli ! I _Jliiif I | llllJll I I lil|l|l f J |_HJIJI i f _iiti| | I lliil_l t f h_lilli i

I I I I ,-4 ,_ ,4 .._ ,-4 ,.40 0 0 0 I I I 1 I I I,,-4 ,,,-.I ,,,..4 ,,-I 0 0 0 0 0 0 0

(I-**s) e:_eN_uTIdnoD

Figure 3.40: Matrix/fracture coupling constants for 99Tc in the wa.ste-repository simulation.

32 SIMULATION OF A POTENTIAL WASTE R,_,P05II ORY IN SIRAIII, IED TUFF 125

d................................................... u ........ 0

_-7 I; I_li;' I : ' i

0 ,r--I I ,I ,IQIQ'OIOIQI _ E_

l_ ILl ._10 QIQIQ:D[Q E::t E_ _4

_-4 _ .oo,oo:o oo,

_T._ . , , , i..,,.

, '". I , ._ ,-,,..' , "'"-. _ [.,-4

I 'o., ' ' , %_,,,_ : :.,..... : ; _ , ,I , "",, ' ' '

.< o ...._k_:, _:". ......... :...... '........r3 r3 ! i :\ : \

, , _-- _._,.-_

(8**cu/_I 8-**0l) uo_._e_?uaouoo

Figure 3.41: 99Tc concentration for tohe waste-reposit, ory simulation

126 CItAPT'ER 3, Ii;XAMPLIiJ PROBLEMS

shows that C,I lnz has a retardation factor of 1 for 99'['c, while TSw2-3 has a retardation factor of

approximately 7.3).

The 20,000- and 30,000-yr time lines show the maximum level of '_J'l'c in the source regio_l. 9""1'cconcentrations a.re still increasing, however, below the source re.gion. If the. amount of 9"_'1'cleachingfrom the source were constant, eventually a steady-state plutne of '9:)'Pcwould h)rm. But after 50,000yr, radioactive decay has diininished the amoutlt of 9_'_'I?cin the waste R_rtn. The concentration in thesource region begins to decrease, followed by a decrease in the plume concentration. As reflected in theplot, the bottom boundary is set to zero concentration to tlfimic the n_ixing of the cold,aminanl, in thenmss of water below the water t;able,

li'igure 3.42 present, s a three-dilnensional plot of concentration with respect to elevation and time. Thecontaminant shown is 9"_'7Pc.The concentration is the concetd, ration in the matrix wat,er; at these tinm

scales, with the matrix/fracture coupling multiplier set to one, the concentration in the fracture waterwould al_pear identical. 'l?his three-dimensional plot allows the user' to present an overview of thetransport of a contaminant in a single picture. Colltpare this figure with Figure 3.41, which containsthe sanle information.

Figure 3.43 shows a plot of concentration versus time for ':'>rc. The location is the middh.: of t,he sourceregion (elevation of 232.5 ni). 'lh date, this type of plot has primarily been used to analyze theperformance of wtrious s_mrce terms. In this case, the concentrat, ion of '_'I'c rises to a nearly const.antvalue, whi_:h decreases slowly because of radioactive decay.

'the plot of release, versus tilne for 99Tc across tlm lower boundary is presented in Figure 3.44. Thedashed line shows a running total of the amount in curies of Vg'l?cthat crosses the lower l)oundary andis removed from the problenl. The solid line shows the. amount in curies of 9"_Tcthat exists outside thelower bourldary, For a contaminant that does not decay, these two curw_.swould be identical. 'm'l'cdecays; therefore, the ;:unount of 9'__q'cactually outside the boundary is always less than the anaountthat reached the bounda,ry. 'l?he ['3PA regulations are presently written in terms ot' the cunmlativeamount o('a contaminatd, reaching the accessible eilvironment (the da,shed line). As Figure 3.4,t Shows,after 10,000 yr approximately 0.01 Ci of 99Tc has reached the water table (the lower boumtary) frolnthe e.ntire potential repository. After 100,000 yr, at)proximately 1100 Ci of 99'I'C has reached the watertable, 1000 Ci of which still exists (approximately 100 Ci having been lost because of radioactivedecay).

Figure 3.45 pre_sents EPA ratios versus tilne for the contaminarlts given in this problem. 'the li;PAratio for a contaminant, is defiued as the cumulative release of radioactivity to t,he accessiMeenvironment for the cont.aminant divided by its I,;PA limit. The curw_' defined as TOTAl, is the sum ofali the EPA ratios plotted, lt would represent the EPA stml if all relevant radionuclides were I_eingplotted. ('I'he EPA regulations require consideration of all radionuclides with half-lives greater than20 yr.) The curves representing the individual contaminants are presented to show the user thecontribution of ea.ch EPA ratio to the EPA sum. The contaminants shown in the plot are 14(,, 99Tc '

1_9I, 23s[1, and 23sU (238U and 2asl.J are overlaid). 'the other contaminants have contributions too lowto a.ppear on the plot, If the listed corltaminanl.s were the only contaminants in the potentialrepository inwmtory, including daughter products of contaminants in the inventory, then the EPA stunwould be re.presented by the solid line. Notice that the line is predominantly defined by 14C beforeapproximately 40,000 yr, after which it. is predominantly defined by 99'I'c. For this contrived problem,the I!2,PAratios are well below limits prescribed by regulation: at, 10,000 yr the sum is four orders ofmagnitude below regulatory limits.

The OUTPLOT t)lot-definition file used to define the plots in this section is presented in Figure 1/.46.

3,2, SIMULATION OF' A t' O.[E.N IlAL V_I4S.IE REPOSI'I'ORY IN STtL4TIt"I_JD 'I'UI"/;' 127

Figure 3.42: "_'_'r'cconcentrat, ions over time and distance for the wast, e-reposit,ory sirriillal.ion,

c_iii iiii i i _J,l i iu

...................... i........ _. , .'--"_._ ........ d

d...... li iii i iJll ---- ' ' ii

(e**_u/_I 8-**0I) uoT_e_ueouoo

Figure 3.,43: 99Tc concentration in the source region for the wast,e-repository simulat, ion.

3.2. SIMULATION OF A POTENTIAL WASTE REPOSITORY IN STRATIFIED TUFF 12!)

¢5i ,ii i ii iiii ...... ,, | i i _'_

O_ .....................

r_ca %-

o .................... _'_MO _

..... ,;.....;........... _

.......... ...., ,

=',......................... ' .. ' .... ' '.-.. d

i_" dli_±_L_J_,,,,, i huLiaJJ_._uH ,. k,,_ ,, i _'t'='li l i""ll' * _lJ'"l i hHl_, , lulli_i J• i_ _.

O O _ _ I i I I I I

--( _ _=I _'_ _'(

Figure 3.44: _'I'c release at, t_he wat,er t,able for t,he wa,st,e-reposit,ory simulat, ion.

130 CHAI- .I Eft, 5 EXAMt.'LE PROBLEMS

Figure 3.4,5: EPA-ratio plot for the waste-repository simulation.

r" "1 _ /" 1 " T lr 1 1 1 .) "1 [ ,1 " _." ( ,t 1 _ 1' I 13,2, SIMULATION OF A t 0 1ENIIAL V_A5 i E REF OSI1 0t_ IN ,! [ RA III _lED TUFF l:31

*** TOSPAC OUTPLOT prLOT-DEFI ITION FILE ***

*********** STEADY PLOT SECTION ***********

************* PLOT FILE BLOCK *************ex3steady,plt STEADY plot-data filename

***_*****'*** _SH PLOT BLOCK ***********_*

xaxie fin elevation axis typexlimits default elevation axi_ limits

box default mesh points psr boxnumber default mesh points per label

***** CHARACTERISTIC-CURVE PLOT BLOCK *****xaxis neglog pressure-head axis typexlimits default pressure-head axis limitsyaxls log conductivity axis typeylimits default conductivity axis limits

yunits mm/yr use units of mm/zr for conductivity

)'factor 3,156E*I0 conversion factor, m/e to mm/yrzaxis lin saturation axis typezlimits default saturation axis limits

material 4 plot material 4 (TS_2 fractures)

**_* COMPOSITE-CONDUCTIVITY PLOT BLOCK ****

xaxis neglog pressure-head axis typexlimits d_fault pressure-head axis limitsyaxia log conductivity axis typeylimits default conductivity axis limits

yunits mm/yr use units of mm/yr for conductivity

actor 3.156E_I0 conversion factor, mis to mmlyrgend right,top legend location

unit TSw2-3 plot TSw2-3 curves

**_* COMPOSITE-CAPACITANCE PLOT BLOCK *****xaxis neglog pressure-head axis typexlimits default pressure-head axis limitsyaxis log capacitance axis typeylimit_ default capacitance axis limitslegend right,top legend locationunit TSw2-3 plot TS_,2-3 curves

******** PRESSURE-HEAD PLOT BLOCK ******_*_xaxis fin el_vation axis typexlimits default elevation axis limits

axis lin pressure-head axis typelimits default pressure-head axis limitsegend none no legend

orient landscape plot orientationmode single put each STEADY run on a separate plot

********** SATURATION PLOT BLOCK _**_*_***xaxis ].in elevation axis typexlimits default elevation axis limits

yaxis lin saturation axis typelimits default saturation axis typeegend left,top legend location

orient landscape plot orientationmode single put each STEADY run on a separate plotplottype ali plot ali three saturations

******** NORNALIZED-FLU_ PLOT BLOCK *******xazis lin elevation axis typexlimits default elevation axis limits

yaxis lin flux ax_s typelimits default flux axis limits

e_end none no legendorient landscape plot orientationmode single put each STEADY run on a separate plot,

,_**_**_ VELOCITY PLOT BLOCK **'***'****xaxis lin elevation axis typexlimits default elevation axis limits

yaxis neglog velocity axis typeylimits default velocity axis limits

yunite ,_mffyr use units of mm/yr for velocity

actor 3.156E+I0 conversion factor, m/e to mm/yr

_end none no legendorient landscape plot orientationmode single put each STEADY run on a separate plotplottype matrix plot matrix velocity

l,_) " r-_Figure 3.46' OI I [ LO I plot,-definit, ion file fi.)r the wa,st,e-reposit,ory simulation

132 CtlAPILR 3. EXAMt LE PROBLEMS

*********** VELOCITY PLOT BLOCK ***********

xaxis fin elevation axis typexlimits default elevation axis limits

yaxis neglog velocity axis typeylimits i.E*O,I,E_6 velocity axis limits

yunits mm/yr use unite of nm_/yr for velocity

aCtor 3.15_E.I0 conversion factor, m/s to mm/yr

_end none no legendorlent landscap_ plot orientationmode single put each STEADY run on a separate plotplottype fracture plot fracture velocity

********* CONDUCTIVITY PLOT BLOCK ******_**xaxis lin elevation axis typexlimlts default elevation axis lignite

yaxis log conductivity axis typeylimits default conductivity axis limits

yunits _n/yr use units of mm/yr for conductivity

actor 3.156E_I0 conversion factor, m/s to n_/yrsend left,top legend location

orient landscape plot orientationmode single put each STEADY run on a separate plotplottype all plot all three conductivitiee

********* CAPACITANCE PLOT BLOCK **********xaxis lin elevation axis typexlimits default elevation axis l_mits

yaxis log capacitance axis typeylimlts default capacitance axis limits

legend none no legendorlent landscape plot orientationmode single put each STEADY run on a separate plot

************* PLOT FILE BLOCK *************

STEADY.PLT STEADY plot-data filenameexSsteady.plt STEADY plot-data filename

********* TRAVEL-TINE PLOT BLOCK *_,:*******xlimits default elevation limits

yaxis log time axis typeylimite default time axis limitsyunits yr use units of yr for travel timeyfactor 3.16gE-8 conversion factor, soc to yrfile 1 plot travel times for file llabel Example i label for plotfile 2 plot travel times for file 2

label Example 3 label for plot

************ TRANS PLOT SECTION ***********

************* PLOT FILE BLOCK *************ex3trans.plt TRANS plot-data filename

*********** MOISTURE PLOT BLOCK *******_***

xaxis lin elevation axis typexlimits default elevation axis limits

yaxis log moisture-content axis typeylimite default moisture-content axis limitslegend left,center legend locationorient landscape plot orientationplottype both plot both matrix and fracture curves

*********** VELOCITY PLOT BLOCK ***_****_**

xaxis ].in elevation axis typexlimits default elevation axis limits

yaxis negiog velocity axis typeylimite I.E-13,I.E-3 velocity axis limits

legend left,top legend locationorlent landscape plot orientationplottype both plot both matrix and fracture curves

***:_***** DISPERSION PLOT BLOCK _********xaxis lin elevation axis typexlimits default elevation axis limits

yaxis log dispersion axis typeylimits default dispersion axis limitslegend right,top legend locationorient landscape plot orientation

mode single put just one species on each plotplottype both plot both matrlx and fracture curvesspecies Tc-9g plot Tc-99 dispersion

"i0 ,Figure 3,46: (., ntmued.

3,2, SIMULATION OF A 1 (. I ENTIAL WAS.IL REPO,fi'I'I'OIUt _.IN S.I IL4.1.1fli,ft) TUFF 133

********** RETARDATION PLOT BLOCK *********

xaxis lin elevation axis typexlimits default elevation axis limits

yaxis lin retardation axis typeylimits default retardation axis limits

legend left,top legend locationorient landscape plot orientationmode single put just one species on each plotplottype both plot both matrix and fracture curvesspecies Tc-gS plot Tc-gS retardation

********** COUPLING PLOT BLOCK *********

xaxis lln elevation axis typexlimits default elevation axis limits

yaxis log coupling axis typeylix_ts aefault coupling axis limitslegend left,top legend locationorient landscape plot orientationmode single put just one species on each plotplottype both plot both advective and diffusive curvesspecies Tc-gS make plot for Tc-gg

************* CVSE PLOT BLOCK *************xaxis lin elevation axis typexlimlts default elevation axis limits

yaxis lln concentration axis typeylimits default concentation axis limits

nits kg/m**3 concentration units are kg/m**3

_end 15,2,center legend locationorient landscape plot orientationmode mul_i put ali time curves on the same plotplottype matrix plot matrix concentrationspecies Tc-gg plot Tc-gg concentration

snapshot i plot snapshot I (0 yr)snapshot 2 plot snapshot 2 (I000 yr)snapshot 6 plot snapshot 6 (5000 yr)

snapshot ii plot snapshot II (i0,000 yr)snapshot 13 plot snapshot 13 (20,000 yr)

snapshot 15 plot snapshot 15 (30,000 yr)

snapshot lg plot snapshot lg (50,000 yr)

snapshot 29 plot snapshot 2g (I00,000 yr)

************** 3-D PLOT BLOCK ***_*********xlimits default time axis limitsxunits millennia use millennia for time units

xfactor 3,169E-II conversion factor, seconds to millenniaylimits default elevation axis limitszlimits default concentration axis limits

zunits kg/m**3 concentration units are kg/m**3view default,defau!t,225, viewpoint locationnumx default number of time lines

numy default number of elevation linesplottype matrix plot matrix concentrationspecies Tc-gg plot Tc-gg concentration

************* CVST PLOT BLOCK _************

xaxis fin time axis typexlimits default time axis limitsxunits millenn_a use millennia for time units

xfactor 3,16gE-II conversion factor, seconds to millennia

yaxis lin concentration axis typeylimits default concsntation axis limits

units ks/m**3 concentration units are ks/m**3egsnd left,top legend location

mode single put just one elevation on each plotplottype both plot both matrix and fracture curves

species 'rc-99 plot Tc-gg concentratione_ev source plot concentration at the source

Figure 3,46: (.,ontlnu_,d.

xaxia fin time axis typexlimits default time axis limitsxunits millennia use millennia for time units ,xTactor 3.169E-11 conversion factor, seconds to millennia

yaxis log release axis typeylimits default release axis limitslegend left,top legend locationmode single make a separate plot for each speciesplottype both plot both actual and cumulative curvesboundary bottom plot releases from bottom boundaryrelease rad plot releases in terms of radioactivityspecies Tc-gg plot Tc-gg releases

_***_*_*** RELEASE PLOT BLOCK **_**_*_

xaxis io time axis typexlimit e _efault time axis limitsxunits millennia use millennia for time units

xfactor 3,169E-II conversion factor, seconds to millennia

yaxis log roleaes axis typeylimits default release axis limitslegend left,top legend locationmode multi put ali species on the e_e plotplottype cumulative plot cumulative releasesboundary bottom plot releases from bottom boundaryrelease EPA plot releases in terms of EPA ratiospecies ali plot curves for all species

li'igur{_'J.46: ('.onclud_d.

: Chapter 4

: GENERAL REFERENCE_

'I'OSI>A(.I (i, ll_:' '.l'()i,al _)',_l_lii l)el'foi'illa.licc! A,'-Js_sslilc,ill, (/,oi.lc.)i'Jq,.l,['oriilf-; ('.il.lCllt_t.i,iOliS liiOd_!liiig I.lir Now

- (:ii' gr()lllidwa.IJ'r a.lil:l I,ll<, l.rltliSl_orl, (Jf'grolilidwa, l,er coiil.aliiilialil.s. 'l'O,ql>A(' is l)arl, iclll,'trly il.l_l>lical>l<-:,l(J

" llloc:[elillT: groiiilclwal,_,r II¢,w iii a. parl, ially sa.l,lira, l,ed i'egillir l,]ll'<Jllgh s(,v<,l'il.I dill'<_r¢,iit, iiic'(iia, wil.ll- colii,¢:tlriiila.l,ioli ['rot fi l';:tdic,a,ci,iv<, w_sl.es,

'['h<: I (.),. I Ai, c.Oilll>ii!,<_r l>rogralii coiisisl,s of live lila.j_>l' sot'lw_tre iliocliill,,_; c'olll,rollc,d by a sixtli ili¢)¢llilc,,

kllOWll as i,ll<__11El,l, (,q_"cl.ioli d,l ), I;',il,c'.li lllO([tl[o wits <l<_v<,loli<_.dSe,l)aral,<qy ['rc)iii 1,lie ol,li<,l's illltl, wit.iilllillOr lirogra.1 II ii lg, (';t.II Ill! l'¢>lllOVe(] ['rOlll l.lie Sill"li,l, llll([ e×ec'iii,e<l,'-iel,a.l';il,eiy. 'I'()S'I_A( ', lll¢)tilli¢',"; ill't_

as follows:

_._ 1) INi)A'I'A: 1,lie irli)tll,-driv_,;r llioduie, ll,<-sed('or l,he c,r_al.iOli and llio<li(ic_tl, ioli <ii' i,ll<_liyclrology alicl1,raiiSl>Ort, iiil>ill,-(la.l,a, flies (S(,cl, ioli ,1,2);

- 2) S'I"t:A I)Y: I,li<_solver for sl,eacly-sl,a.l,c_groulidwalx,r flow (,¢jecl,ioii <1.:{);

3) i)YNAMI(,,. I,lic; solver ['or l,ra.iiSielil, grc'>undwal,er flow (_¢;¢'.l,iC>il,1.,1)

d) 'I'I/,ANS' l,li{_ solver for Colil,a.lliiiialli, l,l'a.iisly/orl, (Secl,ioii ,1.,_);

-- 5) ()lJ'l'l_l,O'l '' l,li<_ conll>lil, er-gral)llic'.s liiodllle., is<_¢lt_)I' l_lol, l,ilig l,ll_, l'{.,,,ill]l,sc)t"it 'I'OSI>A(.! rllli

-: (Se.cl,ioli 4.(J),

Ali overview of 1.lie basic M,l'UCl,t.iro (:ii' 'I'OSi>AC, is glV¢qi iii ['_igtll'(_ 1,2,l___

,_q'ecl,ion ,t.2> wllic'.ll conl,a.iils l,lle dis'clissioli of 1,lie IN f)A'I'A lllOdlli(?.> Vi.ISOCOlll,ailiS i.li<' cl_scl'iplioli _f 1,ll_'

iliplit, da.l,;I, all<l tlal,a requireill<,,lli,s.

- I OSI st(., lliO,_]llll?S OOlllliltlliiCa.l>e. witll eat:ii oi,hor l,liroi.lgii flies, ,¢g.'C_l>ara.l,_'Iilc_s {7>rliydroIogy all<l ['or

i,ralisporl, ca,l(:illaliC;lll,<-,J al'+._ ciesigned iiil,o "['OSI>A(7.', i,o a,llow 1,110user I.O lliak( _.sc,\'<_i'a.] (,ra.liSl)¢)ll'l

i ca.lc.ula.i,iolis usilig o11(?liydrology ca.lcula,l,ion as I,he l,railSl:lorl, ba,ckgroliiid. 'I'OSI)A(', til¢;s ai'(-,descrit>ed- iii ,¢g'ec,l,iori 4,7,

I OSI-A(, is wril, i,en iii EOIISI'II.AN 77 iiild is l)orl,a,I)le l,o IllOSi, lllitchill?8 wit, h it b'(llISI"i/,AN 77_ compiler. "'l OSI"JA(.,' does nol, follow l,he F()II;I'I1,AN 77 sl,aii(tai'd iii 1,wo iilajor rl,,,-;I)C_cl,s, Firsl,, sl,aildard

,_ IJ_i' IJl '# i]II , ,li ilpl_ilr, ,,pll, _rllrlwIIiiiwIiiIIIIIII,, I , _I (_fqIIII _,_

--1 1 -1 1 1 1 t -i 1l[_6 CHA IY.I'I,_;I_,t, (.,I,_NEt_.AI_ 1_,_,I,EIH,.N(..I_

I:OR'-I'I_,AN 77 lilnit,s vari_d_le nra lies t,o a rn;-_xil_mm of six cll;:_ra,cters; however, for unth::rst,nntlal)ility,

'I'OSPA()', uses vari_ble nmnes wllic, tl can be longer tha.n six ella, ra,cfc,rs, Most t,"OI:{:I_'FtAN 77 c,Oml:,ilers

a.llow t,llis except, ion l,o the sl,a,ndard, Second, t,he TOSPA(I ()[l'l'l'l,O'l)Inoduk-'. t_t,ilizes a, l>ropriet_try

graphics pa.eka.ge, CA-1)ISSPbA ((:Al, 1989), 'l'he OU'I'I-'i,O'I' nloduh:_, iii il,s presenl, ['ornl, cml only be,executed oil conlpul,er sysl, elns t,hal, subscribe t,o C,A-I)ISSPI,A, (kmta.ct, Lhc' a,uthors for pol, ctll, ialremedies,

4.1 TOSPAC SHELL

When the user first, engages '-.I'OSI_AC, by t,yl)ing:

$ I_17N 'I'O,'_'PA ('

l,he user enU>i's the 'I)OSPA(: SIII;3I, I.,, zts ind ic;tl,ed by the ;tpl)ca.ranc¢, of the TOSi_AC,main in¢,nu:

TOSPAC VERSION l.lO MAIN MENU

0 STOP

I INDATA

2 STEADY

3 DYNAMICS

4 TRANS

5 OUTPLOT

ENTER CHOICE:

'I'lle 'I'OSPAC Sll li',LI, is the basic t'ra.rllcworl,: ill whiclt l,he act, u_zl T()SI_AC ', nlodules a.re embedded. Its

l)urpose is I.o _dlow coIll, illuil.y for l,lw user w,hell running T()SI)AC,, Wil, h l,he SII El,l,, l,lie llscr ('.alicornplet,e n.n entire prol.)leln withoul, le_willg 'I.'()SI)ACI, Al, the Slll;3I, I, level, tlm iltl)Ul.-dat;-t flies

ueccss;_.ry for 'I'OSPAC r_odules a.rc ide_t, ificd and Lhc modules _-m'_c.tdlod, l;'igure 4,1 shows the

I)ri_;_.ry Iogica.l flow wil, hin l,l_e 'I'OSI:'A(: SI!I:31.,1..

The 'I'OSPA(: n_odules wre for the most l>a,rl, independent of ca.cb olher and LIle Slili3l, i.,

(.',on_mt_nicat, ion is l.hrot_gl_ files, Section d,7 contains n_ore in('ornml,ion on T()SI>AC files,

'l"hc; c;dculal.ional tnodules of 'I"OSI'AC ca.n be oxectl|,Od ill i)_-l,l,c}-imode by crea, ting a, l_roceduve file l,lla.t

supplies the SIII"3I.,I, with the approl)rinl,e illlbrnla.l, ion, Typica.lly, l,lm procedure file col_l,aills a

sl,a.t.enmut, to execul,e ']?OSi'A(.',, t'ollo',w.,d by ;.m integer (tha.t, corresponds t,o tt 'I'OSI_AC _lloct_le as

listed in the TOSPAC ma, in ]nenu), followed by a _;.mu_ of' a.n inpul.-d;_ta file for thal; i_o<lule, followe_lby a 0 integer (t.l_al. corresponds t,o the. ST()P in the 'FOSI_AC] _min _enu). 'l'l_e inpul,-cl;_l.a file should

-_ conl.ain a file block na._ning the other necessary files, Appendix A offers t_ brief ttescripl, io_ of

b_d,ch-mo_le opc.,.ral, ion of' 'I'OSPA(: on a i)lgC, VAX compul;er system,

.1 ;1 •,1,1, TO,_'I_AC,_JlIt.,1,L 1:17

S_NiT!

I,_,_,,"._!_.,'_= I

TOSPAC MAIN MENU

0. STOP

1. INDATA2, STEADY3, DYNAMICS4, TRANS5. OUTPLOT

ENTER CHOICE:

YES___._ NO /" VAUD _

_Z:>_--_ " _Lo_,_..i

l"iguro 4,1' TOSI:b'tC. SIiI';I.L st,ru('tttro,

138 CItA I_TPH{,'1, G't_JNti,'.l_,AL IU:;li't.']t_,I'_NCl'_

4.2 Input Data and the Input-Driver Module (INDATA)

•_r. ,, _-_INI)ATA is the. TOSPAC Ino(tule responsible for cre.ating or tnodifying the S 1 I,ADY input-data til(.'.,tile DYNAMICS input-data file, and the 'I'lt, ANS input-data file. '['he in'put Iii(; for OU'I'I}I,O'.I ', the

plot-definition file, is crea,ted in the OUTPI,OT module (Section 4.6).

TOSPAC input-data requirements are significant, For comprehension, the input data have. been firstsplit ii_to three files (S'I'EAI)Y, DYNAMIC, S, slid TRANS input-data files, Section 4.2,2), and. then,within es.cb file, into data "blocks" (Section 4,2,4), 'li'()simplify data entry, there are numerous defaultwdtms, ali selected by entering a <(/li_>..Also, there sr(: several data checks.

This section contains a description of the organization, or structure, of the INI)ATA software (Section

4.2.!), followed by ;_discussion about running IN1)ATA (Section 4.2.2 for input-data file creation,Section 4,2,3 ibr input-data file mo(lific_tion), Input data are organized illto blocks of infornmt, ion(Sect, ion 4,2,4), Sections 4,2,5 through 4,2,18 contain descriptions of data blocks with a discussion oftile inptJt-data requirements, A discussion oi' the format of the inl)ut-da.ta files created and nlodified by[NDATA is given in S(,,('l,ion 4,7,1,

4.2.1 INDATA Module Structure

Figure 4.2 contains a diagranl of the top-level logical flow of INDA'f'A. At the top level, after thew._riables are initialized, a fllellll is presented that, allows the user to select, the ('.reatiolt or modificationof STI ADY, DYNAMICS, or TRANS input-data files. Within the NAMHN subroutine, the usernames the file tc) be modified (if applicable), and the file to be treat,cd, If the user is modifying a file,the file is copied into a scratch file and only the scratch file is used by INI)ATA. The INIIYI)It.Osubrout,ine controls (lat,a entry for both creation and Inodifi('ation of S'I'I?,ADY a.lld DYNAMICSinput-data files; the. IN"I'RANS subroutin(', controls data ellt,ry for both creation and lno(lificatioil ofTRANS input-data files,

Figure 4,3 contains the logic diagram of the [NI-tYD|_,O subroutine, Two nmjor flow l)aths exist,: one

for creating a new input file (subroutine tlCl-t,I'_Arl'li3),the other for modifying an existing til(.'(subroutine II MODIIi'Y). The same subroutines are. called in either path; however, for (treating a filethe subroutines are called sequentially, while for modifying a file the subroutines are called frownarneml, with control passing back t,o the menu after the subroutine ternlinates. After an input-data filellas been ores.ted or nlodified, the QUIi;I:(,II!3Ssubroutine allows the user to check the file for errors, lookat, the file, or modify the file. Figure 4.4 contains a similar diagraln for the INTR,ANS subroutine in!N DATA,

4.2.2 INDATA Execution (Input-Data File Creation)

INI)ATA is executed by selecting choice number 1 when presented with the TOSPAC main nlenu.

4,2, INPUT DATA ANl) Tfll_ INPUT-I)I_,IVI_R, MOI)UI, B (INI)ATA) 1{_!)

INDATA'MAIN MENU, 0. STOP

1, CREATE STEADYINPUT-DATA RLE2. CREATE DYNAMICS INPUT-DATA RLE3, CREATE TRANS INPUT-DATA FILE4, MODIFY STEADYINPUT.DATA FILE5. MODIFY DYNAMICS INPUT-DATARLE6, MODIFY TR%NSINPUT.DATAFILE

ENTERCHOICE:

• ! NONO

(Figure 4,3) 1

{Figure 4,4!

_--- ' NAMEIN(4) ' I

_ / I(..cratch,o,.,,,.,I I_-_ "x ,.. I NAME'N(5,I I

_ COPYF

f/ - Ic,o_a,ch,o,o,%NAMEIN 161 I

=LI COPYF I_L,o,.'c__h'o_ __

il IO,_I AC, INDA I.A module st,ruct;ure,

Pigure 4.2: "" ¢':' ' "

1.40 CHAPTER 4. GLNERA.L RE_LREN(,,E

NO /lu_nu: v _'"_ YEE

INDATAHYOROLOOYMOOIFICATIDNMENU0, _,TOP1, TITLEBL_I_2, CONSTANTSBLOCK

', 3, OEOLOOIC-.UNTTBLOCK, 4. MAI'ERIAL-PROPERTYBLOCK

F HCCqST ] 6, MESHBLOCK6. BOUNDARY-CONDITIONBLOCK7, IMTIN..-CONDITIONBE.OCK(DYNAMICSONLY)8, FILEBLOCKg, VIEW

• ENTERCHOICE:

I I'l° _° I YES

HCRF_TE _ YES<

I F',tO B (In#le, blo_knam) j .

YES1 "

.... NO

_lye___ yES H_

:iv,w.w,h

Figure 4.3' Structure of the INDATA subroutine INttYDRO (for STEADY and DYNAMICS inputdata).

4.2. INPUT DATA AND TtfE INPUT-DRIVER MODULE (INDATA) 141

_,__.._ 3. OEOLO_M.INIT BLOCK

4, CONTAMit_IO_I_r,II_OPff.FITYBLOCKS. BOUNO/LRY.C'OI'IOllONBLOCKI.l_nl_,_ BLOCK(OYHIk,MICI ONLY)7. FILE_OCKI. ¥_W

£N'I ER OI.K)_E:

YES CNEST(ow"_ek to_flle)

TC_IIEJkTE '4" YES<

< _>-"NO'

,........... _ " .. NO, _' .. ,,= :J---._

OLI[I4_

._-..-=n "-f:-_=;: }

1,42 CtlA PTER ,t. GENERAL R,I_,_ LRE_ CE

TOSPAC VERSION l.IO MAIN MENU

0 STOP

I INDATA

2 STEADY

3 DYNAMICS

4 TRANS

5 OUTPLOT

ENTER CHOICE: l

'I'OSPA(J indicates that, control is passed to the 1NDATA module by printing t,he foll¢_wing nlessage:

IN1)ATA t,hen queries the user for a. t,ype of input,-data file to create or nlodify:

INDATA MAIR MENU

0 STOP

1 CREATE STEADY INPUT-DATA FILE

3 CREATE TRANS INPUt-DATA FILE

ENTER CHOICE:

, I OSt A(., nlain menu returns t,ot,h.,,At, this point, if the user ent,ers a 0, a. <CR.> or a CRTLZ, tJte " ' '_ '

screen..If t,he user enters any character other t,han these integers shown, the [NDATA main merm isrewritten on t,he user's terminal screen; t,his procedure is repeat.cd t,llree times befim_ cont, rol is

returned to t,he 'FOSPAC, SIIELI,. If the user selects an integer between 1 and 6 inclusive, control is

t,ransfi?red t,o t,he approl:)riate file-crea(,ion or file-modificat.ion procedure. 'l'he fih:.-nlodification choices,,.), and 6, are discussed in the next, sut)sect, ion.

If t,he user enters a choice of I, t,he following pronlpt is issued:

If the user enters a choice of 2 in rest.mnse t,o the INI)ATA main menu, t,he followiug prompt, is issued"

ENTER DYNAMICS INPUT-DATA FILE (DEFAULT=DYNAMICS.DAT):

If the user enters a choice of 3 in response t,o the INDATA main menu, t,he following protnt:n',, app_,ars:

ENTER TRANS INPUT-DATA FILE (DEFAULT=TKANS.DAT):

An a,cceptable file name is any st,ring of up t.o 8(1 charact, ers with no embedded blanks. Of course, the

name should be an accept, able file name on t,he , 'user s conq_ut,er syst,ern. 'Fhe user mu.sl ent,er a file

name (or a (,R> for the default, name) If t,he user e_it,ers a file nanm t,hat, causes an error, t,he prompt,is repeated. The user is allowed t,hree invalid respc, nses before control is returned to t,l{e [ C Sl: A(.. mainJ'l] e 11 !1.

4.2, INP[TT DATA ANl) TIlE INPUT-DRIVEI¢. MODULE (INI)ATA) 1,13

If t,he user h;Ls select,cd choice 1, 2, or 13,entering t,he name of a nolwxistent, file causes creat, ioxi of t.hat,file arid cont,inuat, ion wit,h dat,a-ent, ry prompt,s. If t,he user h_m select.cd clloice 1, 2, or 3, and if lhcuser's comput,er system allows nmlt, il:)le files with t,he sa.)ne name (file versions, or cycles), ent,(,ring (,bename of arl exist, ing file causes creal, ion of a new w_rsion of t,hal. tile. On colnputer syst,enls t.l._atdo notallow multiple files with t,he same name, entering the nanw o{' a existing file causes an error nie,_sageand return to the INDATA nmin metal.

If t.he user has seh,cted choice 4, ,5, or 6, ent,ering t,he name of a tionexist.ettt, tile causes an error nu_ssage...and return to the INI)A'FA lnain menu. If t,he user has select.cd choice 4, 5, or (], elfl.ering the _latlle ofan exist,ing file causes IN DATA t,o read that file and proceed with file-modification pronlpt,s.

• ) " C' '"Initially, default, names for i,he input,-dat, a. files are STI",ADY. I. Al, DYNAM[ ..,S.I)AI, an<lTRANS.DAT, If these files haw, been nalned previously in t,he 'FOSPA(', session, the default na_zms aret,ho_e I)Pev ious _la tries,

Ii. is only after entry of an input,-data file name that t.he act.ual execution of IN I)A"I'A begins. IN I)A'I'Aworks prinmrily by prompting the user; ii, asks for specitic inforlnal,ion and the user suppli_'_s thisinforlnation. When a new file is being crea,t,ed, this i,fort/mt.ion is asked for in the satlle order {hal, Jtwill appear in t,he nev,, file. When an old fl!e is being modified, a menu i,i used to select, tlm data blockof inforltmi, ion within the file that is t,o be modified.

When the various individual data are elate,red, t,hey are checked t,o se..eif'/,hey are within accq_tablebounds. After an input.-data file is (,rc'at.cd or rnodifie_l, the user is queried t,o see it' he or she would likethe cottlplete file checked for consist.elicy of t,he data that, _nusi, iJJl.eracl,.

'I'OSPAC input-data files are line fortliat, t,ed; i.e., each line is import, ant ei|.her as a d,01ilnitcr or a.s thecarrier for one dat, lllil.

t • _ ) ,tThe act,ualquery pronlpt:;providedby IOS[ A(.,areglveJlinI,he subsocl,ion,sl_dowdoaliill,;withspecitic data blocks,

tlpon comph;t.iort o['data ent,ry fl+r a newly creat,ed , 1I.,AI)Y, I)YNAMICS, or '['ttANS ittpul.-tlal.a file,[N DATA st,at,es:

STEADY INPUT--DATAFILE filc_nalne CREATED.

DYNANICS INPUT-DATA FILE Jih:'.nanle CREATED.

TRANS INPUT-DATA FILE file_n.alnt CREATED.

,Then IN DA'I'A asks the user the following quest, ion:

DO YOU WANT TO HAVE file._lalnc CHECKED FOR ERRORS (N OR Y):

i,_,r._ ti ,_ tiif this check is request,ed, {,he file is subnfit, ted t,o the act,ua] input, subrout, ine in ,.._ _.._D'Y,) 'N '"I "t AMI(S, or ".PRANS. If the input,-dat, a file passes this check it, will hcp,read successflilly hy the

appropriate calculat, ional module. [{ov,,ever, successful reading does not, imply successful execul,iol/,:li =

144 CHAPTER 4. GENERAL REFERENCE

Other problems can occur and these are further discussed in Sections 4.3, 4.4, and 4.5. If errors or

inconsistencies are found in the file by INDATA, various error messages arc displayed on the terminalscreen, along with tile following message:

SEVERITY OF ERRORS INDICATES THAT TOSPAC WILL NOT

EXECUTE WITH file_name.

If no errors are found, tile followhlg message is printed on the user's t,erndnal:

file.nameCONTAINS NO OBVIOUS ERRORS.

After checking the file, or answering no to the checking query, INDATA asks:

DO YOU WANT TO VIEW file_name(N OR g):

Viewing the file allows the user to look at what has been c..reated, a screen of data at a tilne,

After the user views the file or answers NO to the viewing query, IN DATA oilers one more chance tomodify the input-data file:

DO YOU WANT TO MODIFY file_name(N OR Y):

Modifying the file causes control to be transferred to the INDATA modifica.tion menu (Seo.t.i,_,.:4.')..3).

Remember that the default for these final three questions is NO; therefi:_re, a <(;'t_.>is the saxlle asanswering NO. If the user answers NO to tile last prompt, INDATA is U,rminat.ed, control is returned

to the 'I'OSPACSttEI, L, and the TOSPAC main menu is displayed.

4.2.3 INDATA Execution (Input-Data Pile Modification)

A choice of 4, 5, or 6 in response to the INDATA main metal or a YES answer t,o the Inodify qm'stionafter treat, ing a new input-data file, causes transfer of control to t,he file-modification branch within1NDATA.

If the user enters a choice of 4, the following prompts are issued:

ENTER NEW STEADY INPUT-DATA FILE (DEFAULT=STEADY.DAT):

If the user enters a choice of 5 in response to the INDATA main menu, the following prompts are issued:

E_ITERDYNAMICS INPUT-DATA FILE (DEFAULT=DYNAMICS.DAT):

ENTER NEW DYNAMICS INPUT-DATA FILE (DEFAULT=DYNAMICS.DAT):

If the user enters a choice of 6 in response to tile INDATA main lllenu, the following prolnpts apl_ear:

ENTER TRANS INPUT-DATA FILE (DEFAULT=TRANS.DAT):

E_{TERNEW TRANS INPUT-DATA FILE (DEFAULT=TRAI_S.DAT):

--i_-|-|

• l4.2, INPUT DATA AND THE INPUT-DRWER MOD[ LE (INDATA) 145

• ) r'-If the user reached the file-modification branch of IN[ AI'A by answering YES to tile modify question

after creating a new input,-data file, then only the second [)rompt of' tile above pairs is issued, lt isassumed that the file to be modified is one that was just created.

If the user has selected choice 4, 5, or 6, entering the name of a nonexist¢mt file in response to the first

prornpt causes an error message and return to the IN DATA main ll|elll.l. If tile user has selected choice.

4, 5, or 6, entering the name of art existing file causes INDATA t.o read that file and proc.eed with

file-modification prolnpts.

Whenever INDATA nlodifies a file, it creates a new file for the rnodified version. INI)ATA always kee.ps

the original file unaltered.

After the new file is named, the TOSPAC INDATA modification menu appear:,; on the terrrlina[ screell.

If the user is working on a aI. EADY or DYNAMICS input-data file, the hydrology modification tllenu

al)pears (tbr the most part,, STEADY input-data files and I)YNAMICS int_ut-dat, a. tih'.s use the sanleformat and data, and thus the same modification menu applies to both)'

INDATA HYDROLOGY MODIFICATION MENU

0 STOP

I TITLE BLOCK

2 CONSTANTS BLOCK

3 GEOLOGIC-UNIT BLOCK

4 MATERIAL-PROPERTY BLOCK

5 MESH BLOCK

6 BOUNDARY-CONDITION BLOCK

7 INITIAL-COh©ITION BLOCK

8 FILE BLOCK

9 VIEW

ENTER CHOICE:

If the user is working on a TRANS input-data file, the transport modification nlenu appears:

INDATA TRANSPORT MODIFICATION MENU

0 STOP

I TITLE BLOCK

2 SOURCE BLOCK

3 GEOLOGIC-UNIT OR SATURATED-ZONE BLOCK

4 CONTAMINANT-PROPERTY BLOCK

5 BOUNDARY-CONDITION BLOCK

6 INITIAL-CONDITION BLOCK

7 FILE BLOCK

8 VIEW

ENTER CHOICE:

Default. choice is 0 for both tile hydrology and transport modification menus.

For either modification menu, the choice of any of the BLOCK numbers transfi_rs the user to the.

appropriate block of the input-data file to modify. After that block is modified, the modification menu

reappears. Descriptions of each of these data blocks are found in subsequent subsections.

, "Y i, _ -_ _ _g - _ --, i_146 C'HAPTlgI_.. 4 (.,LNEttAL RLf LIf, t:,NCI,

In general, during lnodification, tile defaults for data ite.lns are the values from the file being modified,not the generic defaults described in the following subsections.

C,hoice of VIEW allows tile user to examine the illput-data tile. he, or she is working ou,

Choice of STOP causes the r_ioclification section to teririinatc,, and the following set of prompts is

displayed:

DO YOU WANT TO HAVE file_name CHECKED FOR ERRORS (N OR Y):

DO YOU WANT TO VIEW filc_7zamc(N OR Y):DO YOU WANT TO MODIFY file_name (N OR Y):

'l'hese l)ronlt)ts are (liscuss(_d above in Sectiotl 4,2,2, If the user answers iV() to the l_st f,rompl,,IN I)ATA is tertnillate(l and the TOSPAC main menu api)ears on tll(, s('.r(_c'll,

4.2.4 Data Blocks

TOSPAC, is input-data intensive, Furthermore, the input data are. nmll, idisciplillary, inostlynon-irltuitive, and esoteric, (It should not escape your at,t,entiori that conq)uter modeling ofgroundwater ttow with contatninant transport in a partially saturated r_:gilne is a difficult problelll,)The major obstacle that must be surJnounted in order to use "rOSPAC effectively is the input drf, a,The data nmst be available so that the user does not have to invent information; the data must be

defined wt;li enough to lead to accurate results; the. data and how the data are organized must beunderstandable in order to avoid misuse.

The input data for TOSPAC are organized in blocks that range from tile trivial (e.g., the tit, le bl(,ck)to the conlplex (e.g., the material-property block). 'rile purpose of each data block is as follows:

1) 'ITI.'I,E BLOC, K: identifies a particular calculation; provides labels for conq)uter graphics; andallows the user to enter notes. A tith-', bit;ck must be present in ali STEADY, DYNAMICS, and'I_RANS input-data files,

2) CONSTANTS .BLOCK: specifies constants in the sa,llle units ms thr rest of the input data.(TOSPAC works with any uaits as long ns they a,re s(df-consistent), and specifies control factors

(e.g., the timestep factor). The constants block appli_;s to STEADY and I)YNAMICS inl)ut-datafiles.

3) GEOI, OGIC-UNIT BLOCK: defines stratigraphy and tile matrix and fracture hydrologic midtransport characteristics of each layer. The geologic-unit block must be in STEADY,DYNAMICS, and 'tRANS input-data fles, although tire geologic-unit block for TITANSinput-data flies contains different data, and may be replaced by a saturated-zone block.

4) MATERIAL-PI{OPEtrrY BLOCK: defines the hydrologic properties, esp(_eially thecharacteristic curves, of matrix and fracture materials. The nmterial-.property block applies onlyto STEADY and DYNAMIC, S input-.data tiles.

5) MESII BLOC, K: defines the caleulational rnesh for the fnite-difference solution method andrelates it to the stratigraphy. It applies only to STEAI)Y and DYNAMICS input-data files.

6) BOUNDAI_X-C, ONDITION BLOCK: specifes hydrologic or transport conditions at the

boundary points of the mesh; allows these conditions to change al; specified times; and defines the

) r l " 1 / r t

4,Z INPU'I' DATA ANl) TIlE INt U+I-I)t_IVEI_ MOI)ULI_ {INDA lA) 147

times wlmn ouLput, dal,_ are required, A t:,oundary-cot.titioll block rlmst be present, in aliS'PF,AI)Y, DYNAMIC',S, _md 'I'RANS illput-data tiles.

7) S()UIL(_1)_BI,OC',I(: specifies the location of c.onta,lnilln,tlt source (int,ernal to or on the boul_dary

of the calcul_tiona.l ulesh); defines the spatial extent of t,he source region; and de.tim's ttle type ofsource terln (e,g., congruent h.'ach), The source block apl)lies only t,o 'FII,ANS input,-data files,

8) SA'I'III{AT1);D-ZONI)_ I_I,OCK: specifies a. sai, tJra,t,ed-zolm problelll and ¢lefines the sl,ral, igr_:_phya,nd the ma,t,rix a.nd fracture hydrologic a.nd transport c.har_u:t,eristics of eacil geologic, ulkit,. '['lw.sa,tura.ted-zone block is optiollal in TRANS inl_ut,-dal,a, files; ii' pres,mt,, ii, repla.ces l,llegeologic-unit block,

9) C',ONTA MINA N'F-I _ROP1);R'I'Y BI.,OC K: defines the conta, mi=la.nt,sand the ii_il,ial illveutory,'l.'his block is required for 'I'ltANS input.-da.ta files,

10) INITIA [,-CON I)I'F1ON BI,O(._K: defines the inil,ial t_r'esstlre-heaxl cot lditi<m of a d ylla.n_ic-flowcalculation, or defirms the initiM concern, ra.rio=Is of a transport calcula, tion, 'i'he il_itial-collditionblock applh_s to I)YNAMIC, S and 'I'I{.ANS inpul,-{tal,a files; howew:r, it, is _l)t,ionnl.

11) gll,g BI,OC',K: de.fines the files t,o be' used or created by S'I'EAi)Y, I)YNAMIC'S, or 'I'RANS (l,lleoutput-listing file, the. plot-data file., or the inii,ial.-coIMiCiolt file). 'l'he file block al_plies l,o aliinput-data files; howewer, ii, is optionM.

Each dicta block consists of a block-identifier line, followed by one or more lines of data, followed by ftblock terminator. Block terminators include, a blank line, anotlmr block-ident, ifier line, or au el_d-olLtile.

Data blocks can be located in any order in an input.-d_ta file. For a t_ydrology data file, the. followingorder is recommended:

1) TIT L !)3B LOC K

2) CONSTAN'I'S BI,()(:K

3 ) G Ia30I,OG 1C- UNI' I' I_I,O (21'(

4 ) MA'r g RIAL- PRO P ER:FY BLO(7.:I'(

5) MF,SIt BLOC:K

6) BOU NDA RY-CON DITION BI,OCK

7) IN ITIA I,-CON DI'I'ION BLOC,K (Optional)

8) 1)_II,E BI,()CK (Optional)

For a. transport data file, the recommended order is as follows:

l) 'HTI;F, BLOC,K

2) SOURCF" BI, OCK

3) GEOLOGIC-UNIT BLO(TK (or SA'I_URATED-ZON1) ', BI,OCK)

4) CONTAMINANT-PROPEI_.TY BLOCK

148 CHAPTER 4, GENERAL REFERENCE

5) BOUNDARY-CONDITION BLOCK

6) INITIAL-C, ONDI'HON BLOCK (Optional)

7) FILIi_ BI,OC, K (Optional)

Structuring input, data into blocks also allows isolation of changes to a basic problern. For instance,imagine that the transport geologic-unit data arc suspect. A number of problems could be run,differing only in changes to this block, to help quantify the uncertainty.

The block structure for input data is summarized in [,'igure 4.5. Each block and the input data ii,defines is treated in detail in the following subsections.

HYDROLOGY TRANSPORTDATA BLOCKS DATA BLOCKS

! I I 1, !c°"°r''°".....MATERIAL INEEDTO CONTAMINANT-/_-IPROPERTY ALL PROPERTY ] .....

MESH BUT. SATURATEDZONE

CONSTANTS[,,, SOURCE,,,

GEOLOGIC FILE FILEUNIT

Figure 4,5: Data blocks,

4.2.5 Title Block (Hydrology and Transport)

The title block is typically the first data I_lock in an input-data file. It, is located immediately aft¢_r the'I'OSPAC, input-data header that IN DATA creates. The header---TOSPAC ItYI)RO INPU'r-DATAF ILI?,or TOSPAC TRANS INPU'r-DA'I'A PlI, E, surrounded by a box of stars ......is optional.

Within the INDATA module, first,, a message is given telling the user the data-I_lock designator:

TITLE BLOCK

The d,,.ta-block designator is also written to the input-data file, marking the beginning of the tith.'

4,2, INPUT DATA AND THE INPUT-DRIVER MODULE (INDATA) 149

block. Within the input-data file, the beginning of the title block is indicated by a line of to.xr

containing the string "TITLE BLOCK"in any combination of upper-ca,_e or lower-case c.har_tcters,

Next, INDATA prompts for title information:

DEFAULT TITLE: NONE

ENTER PROBLEM TITLE: This line is an example tilh', that the 'user can enter

DEFAULT NOTE: NONE

ENTEK NOTES (ENTER A PERIOD (.) IN THE IST COLUMN TO STOP NOTESOR ENTER "DEFAULT" If'YOU WANT THE DEFAULT)...

7'best lth.es are an example of notes that the user can e,.ter,TOSPAC's .[NDA TA module will keep reading in informationuntil it encounters a line containing only a period in the first columT,.,so the user can enter almost anything:

and if will appear in the input-data file as a note.So the next line is going to be blank except for a period inthe first column so we can gel out of this...

The title block allows the user to record important information about a particular calculation in areadily _etrievable area, This block lets the user identify the calculation at a future d_t.e and chronMethe calculation for quality assurance,

The problem title, as defined by the user in the title block, is also used by l,he O!l'I'Pl.O']' Il_odule to

label computer graphics,

Figures 2.3, 3.2, and 3.20 present examples of'rOSPAC hydrology input-data files, Shown at the top ofeach file is the optional 'rOSPAC header, followed by the title block, Figures 2.,,1and 3.21 containexamples of TITANSinput-data files. The title block for a TRANS input-data t:ile is identical to thetitle block for a hydrology input-data file,

4.2.6 Constants Block (Hydrology)

The constants block provides the definition of physical constap, ts for the STEADY and I)YNAMIC, Smodules of TOSPAC. It also provides program-control parameters for the DYNAMIC, S module,

The TOSPAC program is unit-independent. The constants block allows the user to enter data (notonly these data, but ali data used in a given calculation) in whatever units he or she wishes, as long asthe data are self-consistent,

For instance, using centimeter-gram-seconds (eEs) units the compressibility of water (Section 4.2.6) is4.3 x 10-s crn -I. If the user enters this wdue, it is up to tlm user to make sure that ali clara in this

input-data file are in eEs units. TOSPAC does not care. wh_tt units are used .......Syst¢?m_: l,.tern.atio..al(SI), cgs, tbot-pound-seeond (FPS), cubit-slug-eon---as long as ali data are in those units for _.givencalculation. Default values created by TOSPAC are iii SI meter-kilogranl-secor_d (inks) units,

, _ il _, i't " " 1 , 1 1 "-_ _150 C',tlAP'I'EI_. 4 Gt:,t_LRAL R,t:,_I,,IU_,NCb

t _ C, ) -,TOSPAC, allows the user Lo phu'.e the units after an input wdue in the inpul,-data lilt'., l.lut 1.O,._I ACdoes not read anti ulldersl,_:tlld the units ......they are only a note t,o l,he user (Se.ction 4,7,1),

The t)rompl,s that the INDA'I'A module ,lEes t,o define the const,a,nts block follow, l,'irst,, a messageisgiven telling t,he user the data-block designator:

CONSTANTS BLOCK

Then the pronlpts ['or input data comnlence:

ENTER DENSITY OF WATER (DEFAULT=lO00.kg/m**3):

'I'he de.hEtty of water must, be a positive real number; the default is 1000 kg/m a in ,57 units or 1gin/cre :_ ill cgs units. The density of water is used iri calculating tbr* weight of water in t,!_ecolumn,

ENTER COMPRESSIBLILTY OF WATER (DEFAULT=4.3E-6/m):

The compressibility of water is a. positiw: real nun,be.r; the default is 4,3 x 10 -6 iii ,5'1units. Noticel,hat the sl,andard water compressibilil,y (tim -- 4.4 x l0 -tC m=/N or m-.s_/kg)has been multiplied bythe density of water (p) and the acceleration caused by gravity (9) in order to get the necessary units:

til. = flu, f'_,l

= 4,.1x 10-1° m_s_/kg x 1000 kg/m a x 9,8 ._/s _= 4,3x 10-6 m-1

ENTER CROSS-SECTIONAL AREA OF THE COLUMN (DEFAULT=I.m**2):

'['he cross-sectional area is a positive real number describiJzg the one-dillmnsional, w, rtical colunllt beingmode.led, lt is used to calcula.te, the amount of wal,er in the colunxn. The. default, is I. m2, the unil, area.

ENTER TIMESTEP-CONTIKILFACTOR (DEFAULT=0.1) :

r'a ',I t,c timestep is controlled by either l,he time derival,ive of the hydraulic conductivity or the timederivatiw_" of tlm pressure heact, whichew-'.r i,_larger, The timestep-control factor allows scaling thetilnestep to _ particular problem; very nonlinear probh:nls should have smaller factors, and nlore linearproblelns should have larger. Sect,ion 2,2 of Volume .I contains more informatioll, The tinlestel_-control

S 1 LAD't' calculations.factor is ignored by '.' i. '

ENTER IMPLICITNESS FACTOR (DEFAULT=O.5)'

"l'he implicitness factor is a real number between 0 and 1, inclusive, that detines w.lmre in the timesl,epthe coefficients of the differential equation are Lo be calculated. For instance, ii' the l,ilnest,ep is fronl 0 sto 1 s, an implicitness factor of 0.5 would mean that the hydraulic conducl,ivity and the capacitance_md their derivat, ives should be calculated at 0.5 s. This value is also called the "Crank-Nicholson

omega." If it is set Lo 0.5, the truncation error for a given l,imestep is al, the mininum, hence the.solution is most, accurate..However, if l,he implicitness factor in set to 1, l,he solution is most, stable,Values below 0.5 should not, be used, Section 2,2 of Volume I conl,ains nlore information. '1'he

Pimplicitness factor is ignored by STLADY ca,lcula.tions.

An important capability of TOSPAC is calculating groundwater travel i,imes (GWTTs). One method

4,2, INPU'I _ DATA ANl) '-file INI (. I-DR, IVI,I¢. MOf)(li, l,_(INI)A'I'A) 151

Lht_t,TOSI)AC: uses for this ct.flcult_l,ion is (,o l,rtu:k _ w_t,er particle as ii, Ii,ores l,hrough t,lle I)roblell_doma, in, To a,ccess l,his calcult_t,ion, the sl,_xrtillg and c,ldiug loc_(,iolls of (,Iw i)_u'l,icl(__re sl>(,'cifled.

ENTER GWTT START POSITION (DEFAULT=TOP):

ENTER GWTT END POSITION (DEFAULT=BOTTOM):

Accepta, ble posiLions a,re the words "l'OP, BOTTOM, NONf'), or any rem nutlll_>ert,hal, corre,sl)onds t,otm eleva_t,ion in the problem donmin. The sta,rt, posiLion can I_,,either above or I)elow t,he end posil, iolt(Section 3.1). The default; ehi,ties tell T()SI'A(_ to ca lcula,l,e GW'I'T froln the 1,o1>of' the colulnI_ t,o t,hebottom. Irl the DYNAMICS nlodule of 'I'OSPAC, the C_W'I"I' ca.lcula(,iol_ ctul l,_ke,excessive, of

cotnpu(,er t,ime, because, the w;-Lt,er velocil, ies Inusl, be cMcul_t,c'.d eL(,every (.ilm: si.('.p (wit, hc)ut, I,Ile G WTTca,k:ult_tion, wat,er velocities t_re ouly ctflcula,ted 0,t,t,inm sna,psho(,s), I!',xlt,e.rillgl,l_e wor_l NONE in eil,lmrI)OSition c,auses the G W'I"I.' cMc,ult_tion to be eircuillw_nt,ed.

'l'he la,st, prompt in the eollst_m(,s block concerns rest,art, of tt I)YNAMICS cCdcul_t(,ion(Sm:tiorl 4.,I,3),

ENTER TIME SNAPSHOT FOR RESTART (DEFAULT=O):

The re.start nurnber corresponds t,o the. number of the t,irne shill>shot, fi'on_ a i)revious calcula, tio,l wherethe present, calculation is to be resl,arted. A rest,_rt, snapshot ctm be tu_y in(,eger grca,t.er them O;however, it, should be bet,ween 0 _md 1;he )naxinlu)n number of ti,_m m_apshot,s giveu iii l,lmbound;,ry..condition blocl,: (Section 4,2,10), If the. resta, rt s_la,psllot is greater t,han 1, wl_ell I)YNA MI(:Sexecutes it, reads the plot,-dt_l,a file from atprc'.viol_s execul;ion (_a.,_etl ('iClmr by (lefa.ult,or in l,he til(:,block .... Secl,ion 4.2.11) up t,o t,hc res(,a,rt nt_l_l:)t:r_,f l,it_lesl_al)shots, _tl_clI:,t'gi_s the i_ew ('a,lcul_t,ionfrom that tirne, (C:amt,ion.......if a, pond-dra, in boundt_ry con_lit,ion has I)eett used, a.d<ligional I,inlesnttl)ShOt,s _nay haw'. been aul,omat,icMly inserted int,o l,he plot,-dnl,tt file; Sect,io_ls ,1,2,10 a_d 4,,1,3.) 'l'tu:,.restart number is ignored for a, STEADY cMeult, t,ion.

At, t,he eol_clusion of ttle constt-mCs-block inl)ul,, IN I)ATA wril,es tt blm_k-lin(_ block t,errnina, Cor on t,heSTEADY nam DY N AMIC.3Sinput,-da, tt_ file.s.

The consl,a,nl;s block is usua, lly loct_t,ed imlnedittt,ely t:_fl,er(,he title block, lt, is only used i_ 1,heS'I.'i!;AI)Yttnd DYNAMICS input,-dal,a, flies, l;'igures 2.3, 3,2, and 3,20 cont,a,il_ ¢,.x;c_ll>l(,sof the collst,mlt,s I:>lc)ck.

4.2.7 Geologic-Unit Block (Hydrology)

A geologic unit is a, n_ed',um l,hrough which the groundw_:_tcr t,r_w(,ls, Tlm entire colu_m_ ft,hat, is, (,lieentire calcui_l, iona,1 mesh) mu,st l>e specified as one or more geologic ,(nit,s in the gcologic-uni(, block.

r '_" _ ) -,_Through t,he concept of geologic uuit,s, I (.),_I AC, Mlows the user to l,M_e mlv;_(,;:tge of (,hecomposite-porosity model of fra,cl,ured porous medim The c.Oml)OSite-pol,osit,y model a,llows bol.hmatrix a,nd fra.cture materials to be modeled in a, one-dirnensionM (:olu_nn, (The COml)osil,c-porositymodel hits l,he t_clclitio_tM a,dwmta.ge of simplifying I.uls0.turai;ed, ['r,_:t(:l,tlred, porotls _ne.dit_enough l,c,

COSt AC can ret,urn results for bol, h mal,)'ix a.nd ('racl,ure flow m_dullow sit,e-sc_le, caJculations,) ' _ ) "

t,r,unsport, _s well as "co_nposite" flow and l,rm_sport, using this _no(lcl, '['lm composite-porosil,y _()delis deseril)cd in Section 2.1 of Volume I and by Pc(,ers 0,hd Kl_wett,er (1988), If t,he user is col_sid,'ringusing the. composite-porosity model, he or she is advised l,o sl,udy ii,, tilt; a,, _(mpl,ions behind ii,, and it,slimittttions.

152 (,HAt .1I._R,,I, GENERAL ltL_ ERENCE

A geologic unit can be composed of one or two materials. Typically, an un fractured matrix is

represented by a single material, and a fractured matrix is represented by a material for the matrixand a mett,erial for the fractures. (It is possible, however, to specify arbitrarily complex materiMs, andtherefore a single material can be given the characteristics of both matrix and fractures. This practicein not recommended, because then TOSPAC cannot return separate matrix and fracture results.)

Materials are specified in the material-property block, described in Section 4.2.8.

TOSPAC! allows arbitrary configuration of geologic units, Geologic units cim differ from one anotherwhen their nmr,rices have different properties, when their fractures have different properties, or whenthey have different geologic-unit properties (e.g,, different compressibilities or fracture areas), However,geologic units with identical properties, adjacent or separated by one or more different units, can bespecified. This feature may be helpfi.fl when specifying a contaminant repository as a geologic unit.,within another geologic unit,,

"tel1:.. geologic-unit block allows stratigraphy to form _,he basis of hydrologic and transport data.: first,because some hydrologic propertie.s (e.g., fracture characteristics) and many transport properties (e,g.,densities, dispersions, etc.) are most easily defined at, this level of complication; and second, becauseproblem parameters can easily be modified by changing a number (e,g., changing the matrix materialin a unit by changing the matrix-material index) while leaving the basic structure of the problemconstant,

Also, the steady-state solver (STEADY) attempts to calculate a solution in piecemeal fashion, onegeologic unit at a time, For this reason ii, is recommended (but not required) that a minimum of four

S 'mesh cells be included in every geologic unit, ,.ectlon 4.2.9 contains a discussion of the calculationalITlesll,

A geologic-unit block is defined as follows (using the INDATA prompts as a framework):

GEOLOGIC-UNIT BLOCK

ENTER # OF GEOLOGIC Ut_ITS(DEFAULT=I):

Next, the number of geologic units to be defined is requested. The number must be an integer between1 and 20, inclusive. The default value is 1.

INDATA next indicates that it is working on the first unit:

UNIT # i

Then it reports the default geologic-unit name and asks for the new name'

UNIT # I DEFAULT NAME:

ENTER UNIT # I NAME:

The name can be any stringup to 80 characterslong',thedefaultduringfilecreationisa.blankname.

Geologic-unit names need not be distinct; i,e,, although not advised, two different units can have thesame name.

ENTER LOWER ELEVATION (DEFAULT=O,m):

ENTER UPPER.ELEVATION (DEFAULT=lO0. m):

The lowerelevationofa geologicunitcanbe any realnumber. The defaultis0 m (e.g.,sealevelor the

,t,2, INPU'.I' DA'I'A ANl) TIlE INPIJ'.I'-DI_2VI_R. MODULE (INDA'I'A) 1r''

wt_t,e.rLM)lo), 'l'he. upper oh".wd,ion c._.mbe ally real nunlbor gret_l,cr i,ll_.mt,he lower eh'wd,ion; the det'a.tlltis 100 Ill, 'I'OSF'ACI a,ssunles t,lla.l,gra.vil,y opertl, l,es t'roln t,lm t,op o[' the ('.olunlu 1,ol,he I_ol,t,oIll; t,lle UsercaT_.Ttotcha.jlge this orie.nl,a,l,ioII,

ENTER MATRIX-MATERIAL INDEX (DEFAULT=I):

'ENTERFRACTURE-MATERIAL INDEX (DEFAULT=I):

Tlm tna,l,rix-nm, t,('.rial illdex in a,ll inl,eger I,ha,t, corresponds 1,oI,he posil, iol! of the nm,i,(.'.riMin l,he

nla,l,eriM-,l_rOl_(_rt,yblock (Seci, iotl 4,2,8), Ac.c.(:;l/,a,ble input,s ;_re ini,egcrs In.'.¢wee.lli trod 40, inclusive;'Pile d('Iault is I (i,(;,, I,he tirsl, lrml,eritd specified iii l,h(' mal,eriM-prOl)ert,y block). 'l'he fra('t,ur('.-nmLerin,lindex is _m inl,eger l,lla.l, a.lso ('.orresponcls I,o (,he.position of t,he mt_l,erial in the rl_n,t,e.ria,l-properl,y block,'l'h(; defaull, is _gMll 1.

Nol,e t,lla,I, whetl l,he. nm,l,rix n11d ['ra,c.l,ures consist, of l,he s_unc' nm.teria,l (l,tle dcfa.ull,), t,he ilnplic_l, ion isl,hnl, there _tre _o fra,ctures, AcLua,lly, the user cam specifiy a,single _m,l,e.ri_fliu l,he mn.l,crin.l..prolmrLyblocl,: l,ha.l, ha,s t,he cha.ra,cl,erist,ics of _:,,con_posil,e nm,l,eria,I (i_cludes bo(,h _m,l,rix trod i'ra,cl,ure

cl_a,ra,c.l,erist,ics iu ol_e specific_d,ion), llowew'.r, if t'rt_cl,ures a,re l,o be specified, ii, is recon_ended l,l_a,i,Lhey be specified in a, set._rra.l,e ma,t,eriM, 'I'OSPA(.I giw:_sre.sult,s t'or bot, h nm.trix tu_d i'rt,,cture flow a,udl,ra,nsport, on.lv if the nla.t,rix a,ud fra.cl,ures a,re specified sepe_rtd,ely,

ENTER FRACTURE POROSITY (DEFAULT=O,):

'l'l_e I'ra.ci,ure porosity is t,he rra,ct,ion of t,he volu_m of t,he u_lil, l,ha.l, is co_q)osed of l,he fra,cl,ure _mt,eritd.((,he t'ra,cl,ures). 'I'OSI'AC n_ull;iplies t,he fra.cl,ure porosil,y given in t,he geologic-unit, block by the

ma.teriM porosity of t,he t'ract, ure _,_a,l,(;ritdgiven in tlm rna.teripd-prol)e.rl,y block I,o get t,he true t'ra,ctur(;porosil, y, loot this reason, l,he. porosit,y ('or _-'_fi'a.ct,ure nm,l,eri;-fl given in l,l_c tna,teria, l-prol_(q't,y l)lock ist,ypica.lly sol, 1,oone, 'l.'he fra.ct,ure porosil,y ca,l_be m_y rea,1nu_nber bel,ween 0 trod 1, inclusiw:_, The(lefm_ll, is 0; i,e,, the de.fa.ull, is no fr_ct,urc's, Ali,hough 'I:'()SPAC a,llows severt,d inel,howls ot' specifying a_a.l, rix-tlow-only problent, specifying 0 fra.ct,ure porosil,y _rmkes l,he ca.lculal,iou the [_osl, eflicieIfl,,

ENTER BULK ROCK COMPRESSIBILITY (DEFAULT=O,/m):

The I)t_lk.-ro¢'kcottlt+res,,+il>ilil,y(c_) is t,he c.or,_pressitfilit,y of l,he ttla.t,rix +utd t'racl,ures t,og_q,her (seel!3_lual,ion2, 1-7 in Vol'uln.cI ), 'l.'he chffa.ult,is 0; i,e,, l,he.det'aull, is t,l_-_l,t,h_'bulk rock does uol, ¢'ot__l)ress,Any t_ommga,t,ive rem nu_fl)er is a,ll0wed,

ENTER FRACTURE COMPRESSIBILITY (DEFAULT=O./m):

The t'ra.c.l,ure,cs)_ul_ressihilil,y is the c.o_q)ressibilil,y ot' t,he. fra,cture.s a,lone (0n//0o" in I.i2tua,t,ion 2, 1-20

of V(,lu'me I), 'I'he defa.ull, is 0: i,e,, d(.'.fiull(,is (,hre, t,he t'ra,c.l,ures (to not, ('O_nl)ress. Any n(.)_lmgat,iv(:r('al tmmt)er is Mlowe(I,

UNIT # :2UNIT # 9.DEFAULT NAME:

ENTER UNIT # 9.NAME:

And I Ni)A'I'A conl,inues unt, il t,he spe.cified number of geologic unit,s ha.,_been entered, At'l,er MI tlm

154 C'I1AP'FI,_JI_,,t, 6' EN I,31_,AL I_,FJ,'i.,31I.I:'NCE

units h_:we been defined, _ blaatk lille signifying block l,erzllina.t;io,l is writt,ml t,o t,ho user's t,(_I'lllinal alIclin the hydrology input,-da.l,a, file,

l!3xtmq)les ot' geologic-unil, blocks ca.n bc foulld in Figures 2,3, ',1.2,a.ltd 3,20. Figure 3,20 shows ageologic-unit, block dc'fining live geologic unit,s,

4.2.8 Material-Property Block (Hydrology)

The materiail-prot:)eri, y block defines hydrologic l;,roperties of the ina.t,erials r(.'.fer(mced (I)y index) in l,lu_geologit:-unil; block, A mt_terial is the pllysic;d mediuzn which constitutes l,lle geologic unit, l,llroughwhich {,he groundwal, er passes. Geologic tinil,s can conll)risc, ota'. or two Innt,eri_'ds (typica, lly, l,he llmtrixtrod frt_cI;ures _re defined as two dilrerenl, ma.teri_ils), a,s discussed in Sect,ion 4.2.7.

'l'he ma,t,eria.l-properl,y block consists of ali integer indica.tillg how nm.ny Im_teria.ls are in the block,tbllowed by the data, for each inat, c'rial. '['lie individual ma,teria.l dicta consist of n. t,it,le, a, porosity, _:mdcha.ract,eristic.-curve data.. Char_c.teristic curves, _:'_sused by TOSPAC,, are functions of sa.l,ural, ionversus pre,sure hea.d and hydra.ulic con<luctivity versus pressure head l,ht_t describe l,ht, hydrologicproperties ot'_ l)orous ma.teria.1. TOSPAC _fllows chara.ct,eristic-curwe da.t,a,I,o be in severa.l ditDrettt[brms: as specified by va.n Genuchten (1980), or by a. table of values, or by a. combina, t,ion of methods.Furl, her informa_tion on chara.ct, erist, ic curw_s c_m be found in Section 2,1 of Vohtme 1.

Within t,he IN1)A']'A module, d_l,l,a,entry into t,he nm.teri_.flproperty block begin,,_ with the following:

MATERIAL--PROPERTYBLOCK

ENTER # OF MATER,IALS (DEFAULT=I):

The nunlbcr of n-m.l,eri_.flsis a.n inl,eger with ¢._wduc' of between 1 _nd 40, inclusiw.'.. This vr.fluetcllsINI)A'I'A l,he number of times ii, nnlst prolnp(, for nm.l,cri_ddttl, t'_.IN I)A'I'A responds:

MATERIAL # 1

MATERIAL # I DEFAULT NAME:

ENTER MATERIAL # 1 NAME:

A ma,terial name is a char_cter string of up to 80 cha.rn.cters. Mal,cri_fl na.rims need not be distincl; i,e.,although not a,dvised, two different materials can haw: the sa.me nan_e.

ENTER POROSITY (DEFAULT=I.):

iVla_eri_lporosity(n,n..,,ornl inv_riousequationsinVolume i) is_tre_lnumber with_ v_fluebetween 0 _md 1, inclusive.

Porosity is defined as void volume divided by total material volulne, Effective porosity is defined asw)id volume a,vaila,ble for groundwa, ter flow divided by tota.l volume, Effective porosity should beentered here if the total saturation is considered to be one and the residual sa,turation is considered I,o

be zero (these data, are discussed below),

If e_TRANS ca,lcul_tion is going to be made with this hydrologic ba.ckground, ii, is recomrnei_dcd I,ha,t,the actual porosity be entered here. The resi&ml volume is _._ccessible to dissolved solute, thereforeresiduM.-satura.tion data, should be awila,ble to TRANS,

4.2. INPUT DATA AND THE INPUT-DRIVER MODULE (INDATA) 155

TOSPAC multiplies tile fracture porosity given in the geologic-unit block (Section 4.2,7) by thematerial porosity of the fracture material given in the rnaterial property block to get the true fracture

porosity (nj). For this reason, the fracture-material porosity given here in the material-property blockis typically set, to 1.

CHAKACTEKISTIC-CUFtVEFLAGS ARE:

1. VAN GENUCHTEN

2, VAN GENUCHTEN TABLE LOOKUP3. SATUI_ATIONDATA TABLE

4. DATA TABLE

5. COMBINATION

ENTEK CHAKACTEKISTIC-CUKVE FLAG (DEFAULT=I):

The characteristic-c.urve flag defines the method used by TOSPAC to evaluate the materialcharacteristic curves. TOSPAC supports five different characteristic-curve formats that are discussedbelow.

_lag'--I selects the van Genuchten Method (van Genuchten, 1980) with five parameters, _ follows:

1) S,, the total saturation: a real number greater than 0 and less than or equal to 1; this parameteris usually set to 1 (except, when curve data are based on moisture content--0, 0,r,, or Of inVolume i--then this parameter would be set to the value of the effective porosity, and then the

porosity parameter, above, would be.'.set, to 1).

2) Sr, the residual saturation: a real number greater than or equal to 0 and less than 1. Whenmaterial porosity includes unconnected voids not available to groundwater flow or voids too smallto significantly support groundwater flow, then this value is set t,o the ratio of the volume ofvoids that do not contribute to groundwater flow over the total volume; otherwise t.his value is 0.

3) r__,a curve-fit pararueter that approximately indicates the air-entry pressure of the material(-1/c_. _ air-entry pressure head). Any positive real number is accepted.

4) /3, a curve-fit parameter that indicates the steepness of the characteristic curves (both saturationand hydraulic conductivity). Any positive real number greater than 1 is accepted; howew_.r,values between 1.5 and 10 are the norm; values larger than 15 can cause floating-point overflowon many c",mputers, and although overflow is screened out in these cases by the STEAI)Y andDYNAMICS modules, a certain degree of imprecision can degrade results.

5) K,, saturated hydraulic conductivity: the STEADY and DYNAMICS modules use thisparameter to scale the relative conductivity value returned by the van Genuchten method to theactual conductivity value; i.e., Ix"= K, x ];i.'relati,.,e.Any positive real number is accepted. Thehydraulic conductivit.y has the same units as velocity (lengtll over time).

The van Genuchten method is the default. When selected, tlm following prompts appear on theterminal screezv

EIVI'ERTOTAL SATUP,ATIOI_(DEFAULT=I.):

ENTER RESIDUAL SATURATIOH (DEFAULT=O.0385):

ENTER ALPHA (DEFAULT=l.2851 /m):_,r,,.__='rA (DEF.UJLT_-._23):

ENTER SATUKATED HYDRAULIC CONDUCTIVITY (DEFAULT=4.4E-6m/s):-,_aiIm

'_ ;lr _ i_ "_ _ -_ ,_ "1 ._ ., ., i_156 (.,tfAI I.l,R ,t. G_,NERAL IU:_ Et¢.EN(,I,

The default values for each of the van Genuchten parameters correspond to a sand-soil tnaterialapproximated fronl Freeze and (.qlerry (1979). When au intmt-data file is modified, these defaults canbe different than shown.

-n.. t '_ eFlag=2 selects the vall Genuchten I abl.-Lookup Method. The input-data requirements for thismethod are identical to those for the van Genuchten Method.

'the difference between the vail Geriuchten Method and the vari (7,'e.iluehtenTal>le-Lookup Methodfbllows. The vall Genuchten Method uses analytic forlntllas t,o calculate saturaLiOli, the first, and secoridderivati.ves of the saturation, hydraulic conductivity, and the. first, derivative of the coriductivity(Volume I). For every iteration, for every mesh point, these equations art..,soh, e.d at, each pressure

head. These equations contairi a nurriber of divisions arid expoimntiations that are t,illie-consunling (,operform. The vall Genuchten 'rable-l_ookllp Method sets up tables to apt)roxirnate the analy(,icformulas. For (.'very iteration, for every niesh point, the tables are searched and a liriear interl)oh_tioli isperformed to calculate tile l-iydrologic quantities associated with eac.hpressure head.

'Phe tables are set tip so that the error iii iiydraulic conductivity arid in the first derivative of thesaturation (an important quantity iii calculating the storage capacity) are less tharl 1%. The tables aresearched using a.bisect.ion algoritllnl. (Only the tabl,_ containing the pressure head, the ilidependentvariable, is searched to find the proper table indices alid det.ernline the linear-interpolation factor.)The tables eolitain a niiniinuiii of 100 a.nd a inaxirili.inl of 11)00data. poiril.s; tile iil.unber of pOilitS isproportional to the lilagnitude of' the/7 paranleter.

The vail Genuchteii 'l'able-.Lookup Method wa,sdevised when ii. was observed thai., for a l.ypicalDYN A M('I_,S'cMculation, at)prc.)xiinately 8()¢,_,,of the coinputer processor tinie was beilig spentcalculating the WUl (]eiluchteil equations. Corliputer tin-ies for I)YNAMIC, S calculations are decreasedtiy up to ii factor of four by using iii, 'I'able-l,ookup Method. '(.,omt utert, imes typically increase forSTEADY calculatioils, and therefore, the vail (.]enucht,eli '['able-l,ookup Method is riot, advised forSTEA DY.

Flag'-3 selects the Saturation l)ata-Table Me.thod. A data t,able is a list of pairs of riunibers thatcorrespond to points on a characteristic curve. A data table should reside iii a file that call be accessed

r''_ , Li "_ t'_by I OSI AL. when the STEAl)Y, I)YNAMICS, 1 RANS, or OUTPI.,OT modules are executed. Ii'or the

Saturation Data-'ralfle Method, a sltturation-curve file (Section 4.7.5) coritaining one saturation• t ", -, D r '1 • ,characteristic curve must be present when S I EADY or _ NAM1CS is executed

When the Saturation 1)ata-Table Method is selected, t,he following pronlpt appears on the terriiinalscreerl '

SAT-CURVE FILE DEFAULTNARE: SAT.CRg

ENTER SAT-CURVE FILE NANE:

The file names are strings of up to 80 characters with no embedded blank.._. The. user may specify aname f,,r a file that does not yet, exist..

A description of the format of a saturation-curw:; file is given in Sect.ion 4.7.5.

TOSPAC uses tile saturation data table to calculate a hydraulic-conductivity curve. The calculation isby Mualem (1976), and involves a numerical integration of the saturation curve (TOSPA(I: uses thesimple trapeziodal method). The various derivatives of the saturation and the hydraulic conductivity

i are calculated as the slopes of these curves (or the slope of the slope, iii the case of the second

4,2, INPUT DATA ANl) TIlE INPUTI)RIVER, MODULE (INDATA) 157

derivative of the sa_,uration).

When a. saturation data table is used by TOSPA(_, it, is linearly illterpolat,ed. This tnethod ix fast., butaccuracy oft;en depends on the spacing between data i)oints. Therefore, data points should beconcentrated in areas of the characteristic curw_ that show the xnost, change in slope, typically near theair-entry pressure head.

The Saturation l)ata-Table Method allows t,he user to prepare characteristic-curve data independent of

the methods prescribed by TOSPA(',. lt, further allows the user to use actual data .....if there, are enoughdata points and if linear interpolation between the points is satisfactory (i.e., the data are not toonoisy), ltowew_,r, because the data tables are linearly interpolated when used by TOSPA(',, acc.ura.cy isquestionable.

An example of a saturation characteristic curw', from a data table ix given in Figure 4.6 (from Peters etal,, 1987).

Flag=4 selects the Data-Table Method. '[he Dat,a-Table Me.thod is ,dmilar t,o t,he Sat.uratiot_l)ata-Table Method, except that the. hydraulic-conductivity data must also be in _t file that, can beaccesse.d by T()SPA(_, Figures ,t,6 and 4.7 contain exalnph:s of characteristic curw_s ttefined by thel)ata-'l'abh_ Method,

When t,he l)ata-'l'able Method is selected, t,lw following prompts appear on _.tmtermilml screell:

SAT-CURVE FILE DEFAULT NAME: SAT,CRg

ENTER SAT-CURVE FILE NAME:HK-CURVE FILE DEFAULT NAME: HK.CRV

ENTER HK-CURVE FILE NAME:

The file nantes are strings of up to 80 characte.rs with no embedded Idanks. 'l'he user may specify aname for a file that does not, exist yet, alt,imugh the files tmlst exist wheu the actual calculation is n_ade.

A description of the forlnat ata(! content of a saturation-curve file ix given in Section 4.7.5; a descriptionof of a hydraulic-conductivity-curve file is giwm in Section ,1.7.6.

Flag=5 seltzers the Combilkaticm Method. This method allows characteristic curves lo be defined by aweighted average of any of the other four methods. 'Fhus, the user can specify "lJmltilde-hump" curves,silnilar to the muitil_le humps of the combined tlmtrix-fracture curves.

Multiple-hump curves are useful in describing rnaterials that consist of sew'ral separate pore-sizedist.ributions (Peters el al., 19_;7). Multiple-hump curve:.; can also he defined by t,he l)ata-'l'ableMethod, above. Examples of multiph .huntl_ curves are also given iii Figllres 4.6 and ,1.7.

When the (?ombinatior_ Met,bod is selected, the following proll_pl,s al)pear (m the t,ernfinal screen:

158 CHAPTER, ,I, GENERAL REFERENCE

-"-_ _:2.' "" .7 Van Genuchten

_. _ -'-" _ ' / Method

*_ Combination 'x,...\... ",_ Method

Data-Table / ",__.. _.o, Method ""-O

to_ t t tct tC to_ 10' lo'Negative Pressure Head (nx)

Figure 4.6: Saturation characteristic curves produced by t,hree different methods.

Van Genuchten

_'__1 I "_ ........................ "'",, / Method_o_t• ,

o Combmatmn ,,

_ Method 'k., _",_o \ k ,_ ,, _ ',

2, \',,,_ /' \ \ ,

._ _i Method \. \ ,,

,.._'l--:"r-r"r'r,,,,i -;-i- ,,_,-,,,q ........ v,, , , _i:;,iq.-,:::_-, ...... _., ,- , i ..... L_._ ....... _ " ' '""tO"3 tO"" 10-' lfr ICY tO trr LC)' 0_

Negative Pressure Head (m)

_. _ , . ,. ! i ,; 1.¢'_ _ JI I

2i_ figure. 4.7: Hydrauiic-con,iuctivity cnar_cLermuc curves protauceu by ulree uuteren_ llltdbllt)tl,'_, r_:i_m

4.2. INPUT DATA AND THE INPUT-DRIVER MODULE (INDATA) 15!)

ENTER # OF CURVES TO COMBINE (DEFAULT=2):

ENTER MATERIAL INDEX (DEFAULT=I):

ENTER FRACTIONAL AREA FOR THIS MATERIAL (DEFAULT=O.B):

ENTER MATERIAL INDEX (DEFAULT=2):

ENTER FRACTIONAL AREA FOR THIS MATERIAL (DEFAULT=0.8):

The defaults specify that the combination material is to he c.omposed of ,50% of the first material inthe material-property block and 80% of the second material in tile material-property block.

A combination material can o_ly reference (i,e., can ortly be composed of) materials that precede it iiithe material-property block. A combination material can reference other combination inaterials. Acombination material cannot reference itself. A material can be referenced by more than onecombination material.

The fractional area of a material referenced by the combination material is the ratio of the area of (,h_ttreferenced material to the total area of the combinatdon rnaterial. The sum of the fac(,ional areas must

equal one.

The characteristic curves for a combination material are calculated as follows. First,, the charac(,eristiccurves of the contributing materials are examined to find tile overall maximum and nlinilnum pressur(_heads. Using these endpoints, a table of 1000 uniformly-spaced pressure heads is constructed. Finally,at each pressure head in the table, the various hydrologic parameters are calculated fi_reachcontributing material; the values are combined according to the fractional area of the contribu(.ingmaterial (i.e., an area-weighted average is performed), giving the value for tbc combination material.

Figure 4.8 contains an example of a material-property block as created by INDATA for a hydrologyinput..data file. 'this example shows five different materials, each with characteristic curw_s defined bya. different method. The fifth material is defined by the Combination Method and consists of 25% ofthe first material and 75,o/0of the second material.

The material-property block appears only in a hydrology input-data file.

4.2.9 Mesh Block (Hydrology)

The mesh block defines the one-dimensional, Eulerian mesh used by the finite.-difference nlethod iii thecalculational modules of TOSPAC.

A mesh is a series of points at which a differential equation is discretized (i.e., approximated bydifference equations). The equation parameters are defined at the mesh points, a linear system is setup based on difference equations using these parameters, and when the linear system is solved, valuesare returned for these mesh points. The mesh points correspond to points in space (elevations, inTOSPAC) and they do not move (this is known as an Eulerian mesh---as opposed to a Lagrangianmesh--to numerical analysts). Often, a mesh is called a logical mesh. A mesh with equally spacedmesh points is called a uniform mesh. Mesh points are sometimes referred to in Volume 1 as j-values,a reference to the array index j. The mesh point at the bottom ef the tnesh corresponds to the lower

160 UItAPTER 4. CI',NI_hAL " '_ ' _ ' ';'•, _ .1 _ RI, i_l'_tt..k,N(,,l.,

****** MATERIAL-PROPERTY BLOCK ******5 # MATERIALSMATERIAL # I .,,NAME:Granite0,04 MATERIAL EFFECTIVE POROSITY1 CHARACTERISTIC CURVE FITI, TOTAL SATURATION0,30 RESIDUAL SATURATION0,O155 /m ALPHA COEFFIECENT2,45 BETA COEFFICIENT3,e-13 m/s SATURATED HYDRAULIC CONDUCTIVITYMATERIAL # 2 ,,,NAME:Sand0.25 MATERIAL EFFECTIVE POROSITY2 CHARACTERISTIC CURVE FIT1, TOTAL SATURA'rlON0,0395 RESIDUAL SATURATION1,2851 /m ALPHA COEFFIECENT4,23 BETA COEFFICIENT4.4e-6 m/s SATURATED HYDRAULIC CONDUCTIVITYMATERIAL # 3 ,.,NAME:Gravel0,3 MATERIAL EFFECTIVE POROSITY3 CHARACTERISTIC CURVE FITravel,sat SATURATION-DATA FILENAMEIATERIAL # 4 ,.,NAME:Loam0,40 MATERIAL EFFECTIVE POROSITY4 CHARACTERISTIC CURVE FITloam,sat SATURATION-DATA FILENAMEloam.hk HYDRAULIC-CONDUCTIVITY-DATA FILENANEMATERIAL # 5 .,.NAME:River-Deposits0,28 NATERIAL EFFECT]VE POROSITY5 CHARACTERISTIC CURVE FIT2 # CURVES TO COMBINE2 MATERIAL I INDEX0,25 MATERIAL i FRACTIONAL AREA3 MATERIAL 2 INDEX0,75 MATERIAL 2 FRACTIONAL AREA

Figure 4,8: A nmterial-l)roperty block showing fivedifl_rent ways to sl)ect _ hydrologicprop,_rties,

boundary; the mesh point at the top ('orrespo,ld;s to the upper boundary.

A cell or zone. is the space between two mesh points. Because there is always e_mesh point al)ove and

below _ cell, the total number of mesh points is always one greater than the total nulnb(.r of cells,Cells and zones, like mesh points, are also mathematical constructs. Neither exists l)hysically,"I'OSPAC uses cells to define the mesh.

Figure 4.9 shows an example mesh with mesh points _md cells superimposed on a given sl, ra,tigraphy of

geologic units.

The mesh construction is very important to TOSPAC; accuracy, efficiency, and usefulness of the resultsdepend a great, deal on the mesh structure. An effort has been made to render mesh defini{,io.

painless .......1NI)ATA has an automatic mesh generator .... however, for rea.sons discussed below, the user

must know how to construct an _.dequate mesh,

In general, to construct, a mesh, the user makes a one-to-one correspondence between mesh points and

elevations. For instance, assign mesh point number 1 to elevation 0; assign rnesh point number 2 i,o

elevation 0.43 (or whatever); and so forth. TOSPAC simplifies things, somewhat, by int(:rpolating a,

uniform spacing over a range oi" cells: the user specifies 10 (:ells between e.levation 0 and elevation 4.3,

) ]r'l i 1 "_ r'l ' • :14.2, INt t .I DATA ANl) I tiE INPU I-Dt_IVER MODI.ILI_ (INDATA) lfi l

UPPERBOUNDARY"_ (J = JMAX=26)!

SUBMESH #7 (2 CELLS)

GEOLOGIC UNIT #3 SUBMESH #6 (5 CELLS)(10 CELLS)

GEOLOGIC UNIT #2 SUBMESH #4 (5 CELLS)(5 CELLS)

GEOLOGIC UNIT #1(10 CELLS)

A CELL(ORZONE)

MESHPOINT(J= 2)

I_LQ.]_:MESHPOINTS I

AREALWAYSUNIFORMLY _/ LOWERBOUNDARYSPACEDWrTHINA SUBMESH (J= JMIN= 1)

Figure 4,9: Correspor,,derlce between mesh poin.t,s, cells, subnleshes, and geologic unit,s,

162 CHAPTER .I. GENERAL REFERENCE

and TOSPAC then places 11 mesh points between elevation 0 and elevation 4.3: mesh point # ] -+elevation O, point # 2 ---,elevation 0.43, point 3 --* elevation 0.86, point 4 --, elevation 1.62,..., point10 ---*elevation 3.87, point 11 _ elevation 4.3. This interpolation range is called a subrnesh.

':['he STEADY and DYNAMICS input-data files require, first, the total number of cells, then tile totalnumber of submeshes, followed by tile definition of each submesh. The definition of a submesh consistsof the elevation corresponding to the first mesh point in the submesh, then the elevation correspondingto the last mesh point in the submesh, followed by the number of cells (the number of mesh pointsminus one) between and including these two elevations.

The prompts that the INDATA module uses to build the mesh block in the hydrology input-data filefollow. First, INDATA indicates that it is working on the mesh block:

MESH BLOCK

Then, it determines whether or not to use the automatic mesh generator:

AUTOMATIC MESH GENERATOR (N OR g):

The automatic mesh generator is discussed later in this subsection, If the automatic Inesh gem:rat, or isnot specifed, INDATA a_sks for the total number of cells for the entire inosh and the total number of'subrneshes within the mesh:

ENTER TOTAL # OF CELLS (DEFAULT=200):

ENTER,# OF SUBMESHES (DEFAULT=I):

"['he defaults imply construction of a uniforrn mesh of 200 cells (201 mesh points) made up of onesubmesh. The maximum allowable number of cells is 3110; the minimum recommended number of cellsis four (actually, four per geologic unit); a more reasonable minumum value is ten per geologic unit.The maximum allowable number of submeshes is the same as the maximum allowable number of cells;and, of course, the minimum is one.

• ) 'INl ArIA then prompts for the boundaries of the first submesh (which, in the ca,_e of one submesh, isactually the whole mesh):

SUBMESH # 1

ENTER LOWER ELEVATION (DEFAULT=O. m):ENTER UPPER ELEVATION (DEFAULT=lO0. m):

ENTER # OF CELLS FOR THIS SUBMESH (DEFAULT=200):

The default values specify that the mesh begins with mesh-point number 1 and ends with mesh-pointnumber 201, and that these mesh points correspond to elevation 0 and elevation 100, respectively.Therefore, each of the 200 cells is 0.5-m long.

If the user had specified several submeshes, INDATA would have continued the submesh data

prompting. For instance, consider the following sample session, and assume that in the geologic-unitblock the user had specified one geologic unit with a minimum elevation at 3.0 whatever-units and amaximum at 3.85 whatever-units:

MESH BLOCK

AUTOMATIC MESH GENERATOR (N OR Y): N

4,2, INPUT DATA AND THE INPUT-DRIVER MODULE (INDATA) 163

ENTER TOTAL # OF CELLS (DEFAULT=200): I000ENT__'__# OF SUBMESHES (DEFAULT=I): 3

SUBMESH # I

ENTER LOWER ELEVATION (DEFAULT=3.0): 3,

ENTER UPPER ELEVATION (DEFAULT=3.85): 3,7ENTER # OF CELLS FOR THIS SUBMESH (DEFAULT=333): 700

SUBMESH # 2

ENTER LOWER ELEVATION (DEFAULT=3.7): 3,7ENTER UPPER ELEVATION (DEFAULT=3.85): 8.8

ENTER # OF CELLS FOR THIS SUBMESH (DEFAULT=ISO): 200

SUBMESH # 3

ENTER LOWER ELEVATION (DEFAULT=a,8): 3,8ENTER UPPER ELEVATION (DEFAULT=3,85): 3,85

ENTER # OF CELLS FOR THIS SUBMESH (DEFAULT=lO0): 100

Irl this case, the automatic mesh generator is rejected, and the user asks for 1000 cells to be distributedwithin three submeshes. INDATA prompts the first subrnesh with the standard default, which call nowbe seen to be generated as follows:

1) the first lower elevation is taken from tile lower elevation of the lowest geologic unit(Section 4,2,7),

2) the upper elevation is taken from the upper elevation of the first geologic unit,

3) the number of cells is the total number of cells divided by the total number of submeshes.

Note that the submeshes must ali fit, together, The upper elevation of a submesh nmst be the same asthe lower e.levation of the next submesh, When two submeshes meet at an interface between two

different geologic units, the mesh point that is placed on the interface is arbitrarily assigned theproperties of the geologic unit that appears later ill the geologic-unit block. Although it is not required,standard usage normally places a mesh point exactly al; the boundary between geologic units.

Some rules with regard to construction of a mesh folk_w.

1) More mesh points, in general, lead to a more accurate solution.

2) More mesh points cause longer computer runtimes, for a given problem.

3) The more nonlinear the characteristic curves for a given material, the closer together the meshpoints should be spaced.

4) Mesh points should be spaced closer together where there are changes in the slope of thepressure-head solution (TOSPAC's STEADY and DYNAMICS modules solve for pressure head).The greater the change, the closer the spacing (i.e., the greater the number of cells). Thesechanges are most likely at the interfaces between geologic units (i.e., where material propertieschange abruptly), and where a pressure-head solution asymptotically approaches a characteristicsolution within a given geologic unit.

164 CIIA I_TEI_, ,I, (.Hi3NE.RAL REFf.c,.I?,I"3NCE

5) Mesh construction is often subjective: if the. results produced by a given ntesh are urlsal, isfa(:tory

(e,g., ira given steady-state solution has sections in wllich the flux w_triessignificantly from theinput ttux), then construct ktnew mesh, Place mesh points (:loser together (i,e,, add more cells) inthe unsat, isfactory section, lt'a section appears particularily stable, the mesh points can bespaced further apart (i,e,, delete cells),

6) A mesh that generates satisfactory results for steady-state solutions that bound the fluxesspecified in a dynamic-tlow problem will not always suffice for t,hat dynamic-flow calculation,

7) A mesh that generates satisfactory results for a steady-state solution that is to be used in atransport problem will no/. always suft'ice for that transport calculation,

8) To check if the rnesh-point spacing is influencing the solution, add twice as numy ni(sh points (orperhaps reduce the nuln/_er of mesh points by hall') and rerun (,he problem; if the stone solution ixreturned, the first rnesh was probably satisfactory,

A more rigorous investigation oi' Inesh-poit_t spacing is giwm in Volume 1, Section 2.3 of Vol'umc 1contains the discussion of mesh-point spacing for problenls involving steady-sl, atc and tr_msient flow,

For STEA1)Y calculations, l)arcy's Law is exanlined for length scales in the solution, Irt the. nlostgeneral situation, Volume I offers Equations 2,3-2 and 2,3-3 as restrictions Fur select, flit al)propri_te ,general Inesh-point spacings:

Az < l + q/ h" '

where z is elevation and Az (the change in elevation) is tile mesh-l)oint spacing, q is tlux, ¢ is l,h_pressure head, B."is hydraulic conductivity, and K' is the derivatiw?, o[' hydraulic conducl.ivity wit,hrespect to pressure head,

These two restricl, ions work best for the case where the pressure-head solution al)t)roache.s I,hecharacteristic solution in a nonlinear manner, where AC >> Az. This situation occurs in a geologic unit

that must carry the imposed flux at high pressure heads imnmdiately above a geologic unit that cancarry the imposed flux aL very low pressure heads; i,e., where the lower unit ix applyiJlg a l_ressure. Lodrainl,he upperunit,

For l,he spec.ialcasewhere thepressure-lleadsolutionasymptoticallyapproachestlmcharacteristic.

solution(the.transitionpointbetweenAg,>> Az and Ag,= 0) Volume I offersEquaiion2,3-7:

where 1_''c is the derivative of hydraulic conductivity with respect to the pressure head ai, thecharacteristic pressure head (where K(¢)= Iql).

-li..... _i_ll,r, ......... r,ii' 'I..... Ill"l,rl',_'_JiPI_''''r'' .......... r,r" ' _........fill'lr''r" vIl',llr"_, ,, ifpI, _', ,_ ..... Mr',,rllrut.... ,11,l'r,,', ,,,M,, ,, ......._,, i_l ,, ,r, ,_lrl,,, Ill'"""' II,",'",'fir" ,,i,,',ri,"r....

4,2, INPU'I' DATA AND THE INt)UT-Dt_,IVBI_, MODUI, I,J(INDA'I_A) 165

Some users may by now not,ice thai, there is a problem with using tam above equations t,o (let,erlnine tilt,mesh spacing: (,he solution must, be known fairly well in the first, pla.ce,

Cases exist where a sl,ea.dy-st_ai,e sc,luliion oflbrs no appropriat, e h.'ngl,ll scale, Where t,he pressurc'-Jmad

solution cllanges in a linear nlanner, most obviously where ,_'X't/.,_ -Az or A,/,--- 0, any two poiilt,s ca.ltdet,ermine a line, The situatioll A'l/, _ -./Xz occurs in a geologic unit that (.'.atl(:arry the illll)osed flux al,

very low pressure heads imnmdiately above a.geologic unil, l,hat Inust carry the ixllpc,sed flux at higllpressure heads; i,e., where tll_, lower ullit, is al)plying a pressure t,o daln t,he upp(,.r ullil,, 'l'tle 'A'_/,.= 0si(uar, ion occurs ai; the characl, eristie solut,ion; i,e,, where the hydraulic conducl, ivii,y eqtta,ls l,lJe flux,(St,eady-st, at,e solutions in one dimension always reach (,he characterist, ic.soltltion if l,lte geologic ullil; isl,hick enough,) 'Phese situations (to not necessarily imply that lltestl I,,oiltl,s can be. spaced as far aim,rras you want,, Prudence dictates a reasollable st)acing to ascert, ain l,ll_tl, areas where lil_earii,y nifty be

0 violated have not been rnissod. Also, there could be lengt, h scales iii t,he l,ra,nsporl, soltll,iotl tr,liet,ransport ca,lc.ulation wollld use the same I_msh) t,haLshould not be overlooked, A discussion ofmesh-point spacing for trallsport calc.ulat, ions is giwm below.

Ii'or I)YNAMICS calculations, i!3qliation 2,3-21 in Sectiotl 2,3 of Volume I can be used t,o del,(,rhlinernesh-i)oint spacing in ternls of the. radii of curvature of tlm leading a,nd i,rMling edges of a. [lux pulse.This e(luation is Lmfollows:

Ag < Illill 1_,'_ "+ (,01 j,, ' l'i'{ -lt--(.:lOfr

where z is elevation and Az is the n_esh-poitfl, spacing, q is flux, I_." is the derivat, ive of hydraulicconduel, ivii,y wit,h respecl, to pressure head, (.;' is sl;orate ('al)ix'it,y, v:.,. is the velo('il,y of l,he flux fr(mt,,and the sul:)sc.ril_l,s0 and 1 itnply t,hat t,liese paranmt, ers occur al, t,he leading mid trailing edge ot' l,heflux fr(ml,, respectively, '.l'he w:;locity of the flux front is ctefitmd as follows:

ql - q0

vi,.= Ol -00'

And, as given in Equation 2.,3-22 iii Vohzme .1, an upper bound on the t,ra.nsient--flow I,in_cstcp isrelated t,o (:ell size and the velocity of the tlux front as follows:

:._xr.< I,,:,I

In Volume 1, Section 3,3 co_l, ains a, discussiot_ of the bounds on mesh-t_oint spacing for t,rat_sl_ort,

problems, l;',q_ation '3.'3-2 specifies the following:

a_ < lovi,

where D is the diffusion/dispersion coeft'icient, and v is the average linear velocity of t,he wat;er(althougll l,his v is not the average linear velocity of the water used in t,he hydrology discussion. Thisvelocity is q/O, not, q/(O -Or); i,e,, the residual satura.tior_ is not rm_oved from considera.l,io_),

166 CHAPTER 4, GENERAl:, REFERENCE

In addition, the TI1,ANS solution has an accuracy bound that is of interest to mesh-point spacing. This

bound is given in Equation a.a-a in Volume I,. as follows:

e < I ,lt+ Dt/az,

with e being the distance below the repository or the boundary where a contaminant is beingintroduced, and v is as_sumed to be negative (downward). This expression gives the region where thenumerical transport solution for a simph: problem is expected to be accurate. Notice that the regionexpands linearly with time. If the user is interested in the amount of contaminant reaching the lowerboundary, then (' is known, and the time that it takes for an accurate solution al; that boundary can becalculated. If the accuracy time is grea(er than the time of interest to the user, the user can decre_).sezXz,

The above mesh-spa,cing equations have been reproduced here so that they might be readily availableto the user. The user is strongly advised to read and understand the discussion in Vobm_.e I beforeattempting to construct a mesh (before attempting to solve a problem), and before attempting to usethese equations.

1NI)ATA also includes an automatic mesh generator that the user can utilize for producing amechanical, first attempt at, a mesh. lt is activated by answering YES to the 1NDATA prompt:

MESH BLOCK

AUTOMATIC MESH GENERATOR (N OR Y): Y

INDATA responds with the following pron]t)t:

ENTER STARTING # OF CELLS (DEFAULT=200):

The user enters the number of ('.ells that would correspond to a uniform mesh for a typical problem.Cell size can be fairly large for a STEADY calculation, because difficult areas will be addressedseparately. Cell size should be fairly small for a DYNAMICS calculation. This cell size is called thestandard cell size in the remainder of this discussion. IN1)ATA now prompts:

LOWER UNIT # I

ENTER # OF IY,-SPACEDCELLS (DEFAULT=O):

ENTER # OF IOY,-SPACEDCELLS (DEFAULT=O):UPPER UNIT # I

ENTER # OF 1%-SPACED CELLS (DEFAULT"=O):ENTER # OF IOY,-SPACEDCELLS (DEFAULT=O):

INDATA's automatic mesh generator src,rts with the bottom geologic unit, places the appropriatenumber of standard-sized cells in the unit, then goes back and fills in the given number of very finecells (1% cells, i.e., cells that are one-hundreth the size of the standard-sized cells) at the bottomboundary It then fills in the given number of 10% cells (i,e., cells that are one-tenth the size of thestandard-sized cells) immediately following the 1% cells, lt then jumps to the top of the unit andplaces the given number of 1% and 10% cells next to this border.

When the automatic mesh generator is done with the first geologic unit, it has create(t as many as fivesubmeshes. If 1% cells have been specified at the bottom, the first submesh begins at the bottom

boundary and places the specified number of 1% cells there. If 10% cells have been specified at the

4,2, INPUT DATA AND THE INPUT-DRIVEt_ MODULE (INDATA) 1167

bottom, the second submesh begins eitlier at, the bol,toln boundary or where the 1% (:ells left off andinserts the specified number of 10% cells. The third subnmsh consists of l,he sta.ll(la.rd-sized cells, and

runs from where the bottom 10% cells left off and concltJdes wl_ere the upper 10c){,(:ells bogin.

If no 1% or 10% cells are specified at, di, her the top or the bottorn of the unit---.this case is thedefault ......then the unit is filled with a uniform mesh of the standard-sized cells, Almost. The

standard-sized cells will not always fit exactly int,o the unit, so they are sealed somewhat. Note thatthis scaling means that a strat, igraphy of several geologic units will usually haw_ slightly differentstandard-sized cells in each unit.

If the user has specified more than one geologic: unit in the geologic-unit block (Section 4.2.7), theautomatic Inesh generator continues to prompl, lhr information:

LOWER UNIT # 2

ENTER # OF .lE-SPACEDCELI,S(DEFAULT=O):

ENTER # OF lOg-SPACED CELLS (DEFAULT=O):UPPER UNIT # 2

ENTER # OF lE-SPACED CELLS (DEFAULT=O):

ENTER # OF lOg-SPACED CELLS (DEFAULT=O):

LOWER UNIT # 3

ENTER # OF I%-SPACED CELLS (DEFAULT=O):

ENTER # OF log-sPACED CELLS (DEFAULT:O):UPPER UNIT # 3

ENTER # OF lE-SPACED CELLS (DEFAULT=O):

ENTER # OF IOg-SPACED CELLS (DEFAULT=O):

When the automatic mesh generator has received information for ali the geologic units, ii. signals:

AUTOMATIC MESH GENERATOR WORKING,..

'I'he automatic mesh generator allows a different number of 1% and 10% cells in each geologic: unitbecause hydrologic properl, ies of the units vary and, at, times, vastly dissimilar units abut. AI, theseinterfaces, a greater number of 1% and 10% cells should be entered. When hydrologically similar unitsabut, it may not be necessary to enter any 1% cells--or any t0% cells, either,

The reason that the automatic mesh generator _llows a different number of 1% and 10% cells at thebottom of a geologic unit as compared with the top is more complicated. With a steady-statehydrology, the higher up in a unit, the more the pressure head h,'_sapproached the characteristicsolution for that unit (again, details are in Volume .I); i.e., the more regular and less nonlinear il, hasbecome. Thus, mesh points can be spaced farther apart and still accurately track this behavior.

Untbrtunately, with a dynamic hydrology, this condition does not hold. But dynamic instabilities mustusually be controlled by reducing the size of the standard-sized cells, and hence, the user still may beable to specify many fewer 1% and 10% cells at the top of a geologic unit.

168 CttAPTER 4, GENERAL I£EFERENCI_

************ NESH BLOCK ************38 TOTAL # CELLS5 # SUBMESHESSUBMEfiH # 1:O.O000000E+O0 LOWER ELEVATION1,000000 UPPER ELEVATION10 # CELLSSUBMESH # 21.000000 LOWER ELEVATION11,00000 UPPER ELEVATION10 # CELLSSUBMESH # 311,00000 LOWER ELEVATION94.60000 UPPER ELEVATION8 # CELLSSUBNESH # 494,50000 LOWER ELEVATION99.50000 UPPER ELEVATION5 # CELLSSUBMESH # 599.50000 LOWERELEVATION

I I00,0000 UPPER ELEVATION5 # CELLS

Figure 4.10: Mesh block generated by the autolnatic mesh generator.

If the user intends t,o use the mesh for a transport calculation, it is recommended that the source-region

bounda.ries t'MI exactly on mesh points (Section 4.2.13). 'I"here are l,hree possible courses of action'

1) 1t' the aut,oxnal,ic nmsh generator is to be used, ii, is advised to define the source region _l.sa

geologic unit, (Secl, ion ,1.2.7).

2) It' the tmtoma.tic mesh generator is noi to be used, construct a special submesh for the sourceregion and define the submesh boundaries to coincide with the source region bouncIm'ies.

3) Or, whether or nol, the mll,om_t, ic mesh generator is used, the user can construct a mesh,

coml)ute t,he elevations to mesh poin_,s around the source region, and then use the closest

desirable elevations as the boundaries for the source region, (TRANS makes this ai)proximal, ionautomaticMly if the source boundaries do not correspond to mesh points.)

Figure 4,10 presents an example of a nlesh block creal,ed by the aut,omatic mesh generator for themill-tailings exarnple in Chapter 2, The block w_s crea, l,ed with the _llowing commands,

MESH BLOCK

AUTOMATIC MESH GENERATOR (N OR Y): Y

ENTER STARTING # OF CELLS (DEFAULT=200): i0

LOWER UNIT # 1

ENTER # OF I%-SPACED CELLS (DEFAULT=O): I0

ENTER # OF IO%-SPACED CELLS (DEFAULT=O): 10

4.2. INPUT DATA AND THE INPI. .F-DRIVtT, lg MODULE (1NDATA) 169

UPPER UNIT # :1.

ENTER # OF IZ-SPACED CELLS (DEFAULT:O): 5

ENTER # OF i0_,-SPACEDCELLS (DEFAULT=O): 5

Figure 4.11 shows a plot, of the mesh produced by this mesh block. 'l?he niesh is for one geologic unithaving a totalof 38 cells (39 mesh points) in five different subnieshes, beg]nn]rig at, the bottomboundary with ten cells of I% size, followed by ten cells of 10% size, followed by eight cells of standardsize, followed by five cells of 10% size, and ending at the upper boundary with live cells oi' 1% size.Not.ice that the number of standard-sized cells was reduced from ten to eight when the smaller cellswere fit, into the mesh.

The mesh block occurs only in a hydrology input-data file; further examples can be seen in Figures 2.3,3.2, and 3.20.

4.2.10 Boundary-Condition Block (Hydrology)

Bouridary conditions are algebraic constraints applie,d to values of a differential equation. In general,boundary conditions can be satisfied at, discrete points for the purpose of yMding a uni(lue solution to

m_ the ditferential equation.

For a 'I'O,..,qPA(.,_hydrology caiculat, iorl, the boundary conditions are two values assigned to _,lie

outerrnost mesh points of a finite-difference luesll that allows l.hese points t.o be full':' defined. These

i values can, with certain restrictions, be specified either in ternis of pressure head or flux (in aone-dinaensiorml calculation, flux equals Darcy velocity, percolation rate, and rate of infiltration).

ii The boundary-cortdii, ion block serw._sseveral purposes:I

i 1) defines boundary conditions, of course,

I 2) defines tirries when. boundary conditions can chai_ge (I)YNAMICS only), aw,

I 3) <Icf]ties tirries when results are 'vritten to the output-listing file and the pl,v,,-data fileii (I)YN AMICS only),_gii

,i The boundary-conditiotl block is organized according to "time si_apshot, " 'l",lze means l)robh:nlf,, time ......tirne simulated iil a <:alculation .........m)t real time. Snat)shot hie]ns ._ eek at the results the¢, problem h_ generated at, that specific tinie.

At, least, one tirne srlapsbot inust be defined. If only one tinle snapshot is defined, the i)robleln is a

i steady-state-flow probleni. If S'FEADY is executed with an input-data iile ii]at COllt.aills lll()re |]la,q Olletime snapshot, only the first is considered. A transient.-ttow calculation is specified by entering nu)re

i than one t.ime snapshot. If DYNAMICS is executed with an it,mit-data file that only contains one iime- snapshot, execution terminates after printing out the initial conditions. B(_th STEAI)Y and

DYNAMICS can run ata), hydrology inpui-data file (as long as the boundary coizdit.ions areappropriat, e. as discussed below).

8IlapaliOf i8 ' °llt'U ct t, llllt':, t'/, I)Utlll_.at¢l_l. t _.._..,llu,t.ix.pik, ,.t,,,,tlell Ut'}_l 11 , *..• _,....... t ...................

boundary conditio,. At, any time snapshot the user is a,llowed to set. or change houMary coMitions. A_, boundary condition is active from the time of the srtapshot where it. is defined to the tillie of the riext

Illii.r.,,I,

170 CHAPTER 4. G_;WERAL ItEl I_,RF.,NL,E,

tOO. 39 __. tOO. m

10. 20 ....

1,5 -__,_

, O. J, _ O.mi

_-| Figure 4.11' Mesh/st,ratigraphy plot,of t,he mesh defined in Figure 4.10.i

4.2. INPUT DATA ANl) THE INPUT-DRIVER MODULE (INDATA) 171

snapshot. The last snapshot specifies the end time of the calculation. (For STEAl)Y, which allowsonly one time snapshot, t,he l_t snapshot is also the first.) The last snapshot of a DYNA MICScalculation does not require a boundary condition.

. ",';' )For a DYNAMICS calculation, intermediate results are produced at, eve/'y t,ime snapshot, S 1 LAI Ycalculations generate only final results. P_esults are written into the output-listing file and plot,-data file,

r" Jt'..) u'_(Section 4.7). Fhese results can be used for computer graphics by the Orr I 1 LO I ntodule, and theSTEADY results can be used by TRANS Lo define t_he hydrologic background for a l,ransport,calculation.

The more time snapshots that are defined iri a transient-flow calculation, the bet.t.er the resohlt.ion irithe OUTPLOT computer graphics rout,ines, and t,he better the ability of the user to urlderstand t.he(lel,ails of the calculation, ttowever, the more time snapshots, the bigger the output files (theoutput-listing file, in particular, but also the plot-data file). 'Phe number of time snapshots may bedictated by the user's disk space. Section 3.2 contains a discussion of the size of the output filesgenerated during the execution of the waste-repository example problem.

Within the INI)A'FA module, the prornpts for data begin wit,h the block inder_t,ifier and proceed asfollows:

INI)ATA next queries for the nurnber of' time snapshots the user wishes t.o define:

ENTER # OF TIME SNAPSHOTS (DEFAULT=I):

'1"he number of time snapshol, s must, be an integer between 0 and 100, inclusive.

For t.he boundary-condition block alone, for time-snapshot, t,irnes alone, INI)ATA incorporates amet, hod for converting a variety of time units into or.her standard tame units. The conversion isspecified through a menu:

TIME CONVERSION MENUO. NO CONVERSION

I. NO CONVERSION (SECONDS ASSUMED)2. COHVEKT HOURS TO SECONDS

3. CONVERT DAYS TO SECONDS

4. CONVERT YEARS TO SECONDS

5. NO CONVERSION (YEARS ASSUMED)6. CONVERT SECONDS TO YEARS

7. CONVERT HOURS TO YEARS

8. CONVERT DAYS TO YEARS

ENTER CHOICE (DF,FAULT=I): 4

This entry requires explanation, As mentioned previously, TOSPAf.', inpu{, data can be in any units a,slong as the data are self-consistent. Thus, t,he user cart enter time data in ata), units (e.g., secortds,minut, es, hours, fort,nights, eons, etc.) a,s long as ali time-dependent input dat;a are ba.sed on the samescale (e.g., hydraulic conductivit, y must be iri cubits per eon if the units are cubit, s-tonnes-eons). "Vhisfreedom is cumbersome when entering very long times in seconds, or very short, t,imes in years. If' theuser wishes to enter time in the units lte or she chose originally, e.g., seconds for ,5"1unit.s, then the user

i can enter a choice of 0, 1 (the default,), or 5 (if t.he Lime units were years). If t,he user wishes to enterII_|-!-|

41I_l, ,_" ',!,1,,...... _I_111",_,I.... , ........._1,_1_,' ........ q'lr,,,' llqr_, ' '_lllIIllilllIIIe=l_,,m,'litr....... _"......... 'I',',l,m,ll_l,llIl,,,lr,l_,l,,Iflll,vl_l'*g,I,_l"q_lll...... I__1,l_,_

time in a different unit, then the user can select tile appropriate choice and enter the appropriateinteger,

The time conversio_l mtrnber carries over to the OUTPI, OT module, where the default time-relatedmessages .....axis labels and legend labels .... will be determined from the response to the time-conversionl]le il U.

I'or instance, groundwater in a partially saturated regime often mow,.s very slowly, and the user mayhave entered ali input data in SI units, but would rather define the time snapshots in years ratherthan seconds. In the above example, choice 4 is entered to produce this conversion. When thecalculation is complete and the OUTPLOT module of TOSPAC is run to create plots of the results,the default time units oa the plots will be in years.

If the time units everywhere in the input-data file are self-consistent, a choice of 0 could be entered.The disadvantage to this choice is that when OUTPLOT produces the plots for this calculation, it,would use the word UN I'['S ms (,he default tj)he-unit message. If tinle units were in seconds everywherein t,he input-data file, a choice of 1 could be entered (or the default, <CR>), a)Ldthen the time.-snapshottimes should be entered in seconds. Tlm time-message default in OUTPI,OT will then be seconds. Ifthe time uait, s everywhere in the input-data file were in years, a choice of 5 could be entered, and thenthe time-snapshot times should be entered in years. The time-message default, in OUTPLOT will thenbe years.

Once the user selects a time conversion, he or she must enter ali times for the time snapshots in theboundary-condit.ion block in the selected units.

INI)ATA now prompts for data for each time snapshot a.s follows:

SNAPSHOT # J.

ENTER TIME (DEFAULT-O. yr):

Tinm can be any real mnnber. I[owever, time must always be greater than the time given for thepreceding time snapshot. T'he default value fbr time always begins at zero--in this case, 0 yr, because

a time-conversion choice of 4 (above) indicated that the time snapshots were being entered in years.For subsequent prompts the default becomes two times the time entered for the previous snapshot. Forinstance, if the user enters 1 fbr the time of the first snapshot, the next time prompt will haw_ a defaulttime of 2; if the user ellters a value of 60, tile next default will be 120; etc.

The relnainder of the tinle-snapshoi, data are dependent on tohe 'type of boundary condition specified.

The prompt for the boundary-condition flag and the prompts resultir_g from a boundary-condition flagof 12 are a.s follows'

BOUNDARY-CONDITION FLAGS ARE 2 DIGITS (LOWER/UPPER):O. USE PREVIOUS BOUNDARY CONDITIONI. PRESSURE-HF.ADBOUNDARY

2. FLUX BOUI_DARY

ENTER BOUNDARY-COI_DITIONFLAG (DEFAULT=t2):

ENTER LOWER-BOUNDARY PRESSURE BEAD (DEFAULT=O.m):

ENTER UPPER-BOUNDARY FLUX (DEFAULT=O.m/s):

ENTER MAX POND HEIGHT (DEFAULT=O.m):__

4,2. INPUT DATA ANl) '" i'I til INP UT-I)II, IVI'Jt_ MOD UI,I'3(INI)A'I'A) 173

SECOND DIGITUPPER BOUNDARY FLAG

0 1 2 3

00 01 02 03 I

J NOT ALLOWED

O PREVIOUS LOWER PREVIOUS LOWER PREVIOUS LOWER PREVIOUS LOWER FOR RRST TIMESNAPSHOTPREVIOUS UPPER PRESSURE-HEAD FLUX UPPER POND-DRAIN I

UPPER UPPER /

I-- _ 10 11 , ] 2 " \13.,.. / _ THE ONLY FLAG

f_ _ PRESSURE.HEAD PRE ( PRESSURE.14EAD _ PRESSURE.HEAD [ PRESENTLY" _ 1 LOWER S_gRE_HEAO OWER J-- LOWER } L ALLOWEDFOR

I-" _ PREVIOUS UPPER PRE.%SURE-HEAD_ FLUX UPPER / POND-DRAIN I STEADYItj') O ' " UPPERtr' UPPER \ lZ m .]

20 21 22 23O..J

2 FLUX LOWER FLUXLOWER FLUX LOWER FLUX LOWER

PREVIOUS UPPER PRESSURE.HEAD FLUX UPPER POND-DRAINUPPER UPPER

NOT ALLOWED ALSO REQUIRESFOR RRST TIME MAX

SNAPSHOT PONDHEIGHT

Figure 4,12: boundary-con(tit, ion flags for S l LADY and I)YNA MICS.

The boundary-condition fla.g is a two-digit, number t,ha(. specities t,he t,yl)(_of bollndary condilion. "l'hefirst, digit, specities the t,yt)e of boundary condition at the lower boundary; the second digit Sl)e('ifi(,s 1,1,'upper t)ol]n(tary. The allowable digits and the corresponding types of boun(lary condil, ions are a,sfollows:

Flag Digit,=0 t,he previously (lefined boundary-condition type (the first tinm snal)shot, has n()previously defined boundary condit, ion, so entering a, 0 is not allowed there),

Flag Digit--1 a boundary condition defined by a constant, pressure head,

Flag Digit=2 a boundary condition defined I)y a ('c,nst,allt, tlux, and

" Flag Diglt=-3 a bolmdary-c(mdition defined by a l>ressur_, head I,ha.l, dc.creases ow:'r tirJl,_, si]))ulal.iIig| a pond draining into the column.qq

Informal, ion about boundary-condit.ion flags use, t by STEADY and DYNAMICS is sutnnlarize(! ,t

j Figure ,I. 12.

_-=-li A boundary defined by a pressure head (flag 1) is a real mmfl)er t,hat, specifies a coIIstalIl pressllrc tread

" , iI,,rlrlrll_ _ _r ,t,r,_liillml.,'Pl,'lll li',_, ',11' '1," ..... O,'llnl Vlrl .... ., r_q iNl,"mrlllll _l_!ll, l,lilllll,, qll I1'1_ u'H,,i,' r_,,,, .... _,f

174 CHAPTEIt ,t. GENERAL REFERENCE

at the boundi,_/_me_fli point, Values greater than the air-entry pressure head of the material ormaterials as!_i!_/:,.,)d!¢_bthis mesh point imply a saturated condition, Values less than the air-entrypressure heat! imi)il_ an ,!insaturated condition at the top of the column,

A flux-defined boundary (ling 2) is a real number corresponding to a coilstant rate of infiltration or

exfiltration, A ne,qative value implies a downward flux. A negative flux at the upper boundary meansthat water is entering the column at the top; a negatiw.' flux at the lower boundary means thai, water isleaving the column at the bottom. A positive flux at the upper boundary means that water is exitingthe eolumr_ at the t,op; a positive flux at the lower boundary means l,hat water is entering the columnat the bottom.

When a boundary condition is entered as a ttux, STEADY and I)YNAMICS convert it to a pressurehead. (Both the STEAI)Y and the DYNAMICS modules solve a problem for pressure head; i,e., thedifli_rence equations are written so that pressure head is the unknown variable, and saturation, velocity,etc., are calculated from the computed pressure head,)

A maxinmm-pond-height prompt appears only with boundary-condition flags 21 and 22.....theconditions cleternfined by flux at the upper boundary. '['h maximum pond height is a method forlilniting the alnount of water allowed into a column. 'l'he physical interpretation is thai: water abovethe ma.xinmrn pond height would run off. If the specified flux is greater than the sat,urated hydrauliccomtuctivity at, the top of the eolun'm, the water will pond until it, reaches the maxinmm pond height.At, this point, the flux boundary c.on(lition terminates and a pressure-head boundary conditionsupplants it,. The pressure-head boundary condition is equal to the maximum pond height, beta, usepond height translates directly into pressure he,td (a pond 20 m deep has a pressure head of 20 m atthe pond bottoni).

Specificatiotl of a pond-drain boundary (flag 3) begins with a nonnegative real number correspondingto an initial pond height (depth). The initial pond height is the same value as the pressure head at tlmtop of the column. As the problem progresses, DYNAMIC, S decreases this value to simulat.e waterentering the column. (The pressure-head boundary condition can also be used to simulate a pond atthe top of the column; however, ii, is a pond of constant height--the water draining into the column isconstantly being replac.ed.) The pond-drain boundary condition is only valid at, the tipper boundary.

A pond-drain boundary also includes parameters for a flux bom2_lary condition; if and when thepond-drain pressure head is decreased to a negative value (i,e,, ttle pond has completely drained), thepond-drain condition reverts to the flux-defined condition. At, 'the i,im_!,when the pond-drain pressurehead is decreased to a negative value, a new time snapshot is ,!mt,otl_atically tbrmed in the plot-dataand the output-listing flies, and a message is written to the user's terminal. 'The presence of this new

time snapshot has consequences iri two arenas: to correctly plot and label time snapshots when usingthe OU'I'I)I,OT module (Section 4.6.4 contains a discussion of using OUTt)LOT for I)Yb:AMICSresults); and, to correctly determine the restart number for restarting a DYNAMICS calculation(Sections 4.2.6 and 4.4.3).

The solution method currently used in STEAI)Y (see Volume 1) only allows boundary conditions oftype 12: a pressure-b.ead lower boundary and a flux upper boundary. In addition, two otherrestrictions on STEADY boundary conditions are enforced:

1) the flux must be nonpositive: q < 0, and

2) the flux must not exceed the sat,urated hydraulic conductivity of any of the unit.s: Iql < K,,

=m_=11

=:|J :-

4,'2, INPUT DATA AND TIlE INPUT-DRIVI;_R MOI)ULI[; (INI)A'.I_A) 17,5

These requirements _re not unduly restrictive, a.s most prob[efns of inter(,st satisfy them. A l,yl)ical

STEADY problern specifies tile position of tile w_ter table _t. tile botLom o[' the colutml by setting t,llepressure head, and specifies the infiltrt_tion rt_l,e into the top of' the colullln by setting tlm flux.

STEADY ignores the entries for time and I-n_xinlum trend height th;_t _xre l_roduced wit[t

boundtLry-condtion type 12.

The IN DA"l_A-produced deftmlts for t_ boundt_ry-condition type 12 specify t_ tlux of zero at tlm top ofthe column and _ pressure herod of zero al, the bottom, 'I'his case. corresponds I,o a. hydrosttztic or

no-flow condilion, wit, h th_" water table at the bottom.

DYNAMICS does not enforce the above restrictions, but the user nmsl, be c_reful in specifyillg the

boundary conditions. If outttow is specified at a boundary (i.e., q > 0 al, the top boulldary, or q < 0 a.t

the bottom bou_tclary), there may be no m_them¢_tical solution to the problem if there is not enoughwa.ter present to support the outflux. In such t_.ca,se, DYNAMICS might execul, e, I_ut could return _ul

incorrect solution, When the w_ter content is depleted to the point that there is zlotenough water

present to (low out t_t. the rate specified, the DYNAMICS solution will dew_'lop a discontinuity a.t the

boundary _md the effective boundary condition will be. no flow, rather thtm the out, flow Sl:_ecified.

If ttux exceeds the saturated conductivity in a DYNAMICS calculation, ;_ perclted water zone will

develop. '.lhe DYNAMICS solution should be correct in such a case, but, it might require, very smMltimesteps.

After the first time snapshot, tile default for the boundary-condition flag chtmges t,o (10: the bomldary

conditions are to be the same ms previously specified. Ali boundary-condition fl;tgs arc a,cceptal,le iliput

for a dynamic-ttow problem, except theft the tirst time. snapshot cannot have 0 tbr either digit.

An example of the IN I)ATA prompts for a I)YNAMICS run with sew_rM time snapshots follows.

ENTER # TIME SNAPSHOTS (DEFAULT=I): 7

0 NO CONVERSION

ENTER CONVERSION NUMBER (DEFAULT=I): I

SNAPSHOT # 1

ENTER TIME (DEFAULT=O. s): O.

BOUNDARY-CONDITION FLAGS ARE 9 DIGITS (LOWER/UPPER):

I. PRESSURE-BEAD BOUNDARY

2. FLUX BOUNDARY

176 CHAPTER ,1, GENEtlAL I{EFERENCE

ENTER BOUNDARY-CONDITION FLAG (DEFAULT=f2): 12

ENTER LOWER-BOUNDARY PRESSURE HEAD (DEFAULT=O. m): 20, m

ENTER UPPER-BOUNDARY FLUX (DEFAULT=O. m/s): -I. m/sENTER MAX POND HEIGHT (DEFAULT=O. m): l, m

SNAPSHOT # 2

ENTER TIME (DEFAULT=O. s): 3,16E+Ts

ENTER BOUNDARY-CONDITION FLAG (DEFAI_LT=O0): 22

ENTER LOWER-BOUNDARY FLUX (DEFAULT=O. m/s): -I. m/s

ENTER UPPER-BOUNDARY FLUX (DEFAULT=O. m/s): -I, m/sENTER MAX POND HEIGHT (DEFAULT=O. m): I,m

SNAPSHOT # 3

ENTER TIME (DEFAULT=6.32E+7 s): 3,16E.8 s

ENTER BOUNDARY-CONDITION FLAG (DEFAULT=O0): I!

ENTER LOWER-BOUNDARY PRESSURE HEAD (DEFAULT=O. m): -3, m

ENTER UPPER-BOUNDARY PRESSURE HEAD (DEFAULT=O. m): 100, n_

..... _PSHOT # 4

EN'JER TIME (DEFAULT=6.32E+B s): 3. I6E.9 sENTER BOUNDARY-CONDITION FLAG (DEFAULT=O0): 21

ENTER LOWER-BOUNDARY FLUX (DEFAULT=O. m/s): 5. m/s

ENTER UPPER-BOUNDARY PRESSURE HEAD (DEFAULT=O. m): O, nz

SNAPSHOT # 5

ENTER 'rIME (DEFAULT=6.32E+9 s): 3.16E+10 sENTER BOUNDARY-CONDITION FLAG (DEFAULT=O0): 13

ENTER LOWER-BOUNDARY PRESSURE HEAD (DEFAULT=O. m): O. m

ENTER UPPER-BOUNDARY FLUX (DEFAULT=O. m/s): 0, 77_/s

ENTER MAX POND HEIGHT (DEFAULT=O. m): 5,m

SNAPSHOT # 6

ENTER TIME (DEFAULT=6.32E+IO s): 3.i6E+// s

ENTER BOUNDARY-CONDITION FLAG (DEFAULT=O0): 00

SNAPSHOT # 7

ENTER TIME (DEFAULT=6.32E+II s): 3./6E.12s

This example shows a request _r sewm time snal)shol.s, defini1_g the _)llowing calcul_0on:

1) The first snapshot begins _,t the initial problem t,irne of 0 s. The initial conditions of the problem

are writl,en to the output-.listing file _md the plot-data file. Boundary-condit, ion flag 12 (the

default) i,; operable: a pressure-head lower boundary _md a tlux upper boundary. As specified,

t.he lowermost Inesh point is to be _ssigned _ value of 20 In of pressure head. The uppermost

_nesh point, is to be tkssigned a pressure-head value that corre:sponds to an influx ot'l m/s. A

maximum pond height of 1 m is specified. If the colunin will not, accept a.n influx of I In/s (either

because it, exceeds the saturated hydraulic conductivity of the upper geologic unit, or because

water cannot exit, the column fast, enough), then the upper boundary condition will becolne apressure head of 1 m.

2) The second snapshot is to occur at, l yr (3.16x 107 s), At, this time. a change in the boundary

,t,2, INPUT DATA ANl.) TIlE INI)UT.,DIUVER MODULt!_ (INDATA) 177

condition is specified. Intermediate results are written to l,he outt)ut-listing file, ;.rod the plot-datafile, and then the bottnd_ry-c, ondition flag is set to lltllllber 22: flux lower _-mdtlux tipperboundary, The lower condition is st)ecifed as an outflux of 1 m/s and the the upper bouHdary

condition is specified ms an influx of 1. m/s. If this specification is M't on long enough, and ii"thecolumn can accept a flux of this magnitude, the water flow should go to steady stale. If thecolunm cannot accept a flux this large, _ maximum pond he' ;ht of 1 m is spt.'.cit'ed,

3) The third snapshot is to occur _:tl,10 yr (3,16 x l0s s), intermediate results are wrii.ten to tlmoutput-listing and the plot-dat_ files, Again the boundary conditions are changed; l,hebounda.ry-conditions flag is now number 11: pressure-herod lower and upper boundari(;s, Thelower boundary is specified as -3 m pressure head, which ine_ms that water will probably bedrained from the (:olumn to m_intain this negative i)rcssure head. 'I'he upper bounda.ry iss])ecitied as 100 m pressure hea.d, which means that water will be forced ilt_o the. colullln as ii'from the. bottom of a 100-m-deep pond.

4) The fourth sllapshot is to occur at 100 yr (3.16 x 10!)s). lntermediat(: reslllts rtre written to theoutput-listing and the plot-data files, and the boundary-condition type is now changed tonumber 21, The lower boundary is spec.ificd ,_s 5 m/s flux, whi(:h means that water is rf)reed intothe column front the bottom, The upper boundary is sl)ecifie(l as 0 m pressure head, whichmeans that the water table is at the top of the ('oluntn,

5) '['he fifth snapshot, is to occur a.t 1000 yr (3,16 x [0 l° s), lnter,ne(tiate result,s are written (;o theoutput-listing file and the plot-data file, A pond has t)eetl placed ;:trthe {,opof the coluan_, and ii,will begin to drain into the column until the. I:)ound;_ry condition is cl_allged or until a steadyst,a'-_ is reached (irl this ('.ase, steady state would be a hydrostatic colldition), 'rhe lowerboundary is specitied ;ts 0 ni pressure head, which ilmans ttmt the water table in now at thf;bottom of the column,

{i) The sixth snapshot is to occur ai, 10,000 yr (3,1(i x 10_ s), Again, intermediate results a.rewritten to the outt)ut-listing file all(t the l)lot-data file, but this tilue the I)oun(la.ry condil,iolls arenot ch;ulged, The boundary condition for this sn_pshot is st)ecifcd as tt_g nulld)er 00: use tilesa,tn(' boundary con(litiotis as I.hos(:.'.specified for the itr_z_le(liately l)reccditJg (fifth) tinle szlal)shol,,

'l'he l)ow.l-drain boundary condition is still active a,d the pond continues to drain.

7) Tlm tinal slmt)shot is to occur at 100,000 yr (3.1(i x I()_u s), This si_al)sl_ot _larks l.he end of l.hv.calculation; at, this poil_l,, the final results are written _,othe output-listing file and the plot-tlalafile. No new boundary conditions are specified.

Figure 4,13 presents an example of the boundary-condition block t'or a I)YNAMi(.?.S i_l)_!-(tata, filecrea.t,ed by INDATA in reponse to the above prouq)ts.

4.2.11 File Block (Hydrology and _lS-ansport)

The file block defines the tiles to be used or created duri_g (:xecutio_ of S'I'I';AI)Y, I)YNAMI(:S, orTRANS. The file block also tallows the ,ser to control l,he a_()unl, of rc'suits writ,tel_ to {,t_e

ol_tput-listing file, 'l'he nmin purpose of the file block is to pr()vide an au(iii, trail between theinp_t-data file and the output files that result, from its use.

In INDATA, when a STEADY input-data file is being created, the file-block pr(,_llpts at,, as R)llows:

FILE BLOCK

178 CHAPTER 4, GENERAL REf ERENCE

***** BOUNDARY-CONDITION BLOCK ******7 # TIME SNAPSHOTSI TIME CONVERSION NUMBERSNAPSHOT # iO, PROBLEM TIS_i2 BOUNDARY-CONDITION FLAG20. m LOWER-BOUNDARY PRESSURE HEADI, m/s UPPER-BOUNDARY FLUXI. m MAX POND HEIGHTSNAPSHOT # 23.16E+7 s PROBLEM TIM.F.22 BOUNDARY-CONDITION FLAG-I. m/s LOWER-BOUNDARY FLUX-I. m/s UPPER-BOUNDARY FLUXi, m MAX POND HEIGHTSNAPSHOT # 33.16E+8 s PROBLEM TIMEII BOUNDARY-CONDITION FLAG-3. m LOWER-BOUNDARY PRESSURE HEADI00. m UPPER-BOUNDARY PRESSURE HEADSNAPSHOT # 43.16E+9 s PROBLEM TIME21 BOUNDARY-CONDITION FLAG5, m/s LOWER-BOUNDARY FLUX0, m UPPER-BOUNDARY PRESSURE HEADSNAPSHOT # 53.16E+10 s PROBLEM TI_i3 BOUNDARY-CONDITION FLAG,O, m LOWER-BOUNDARY PRESSURE HEADO. m/s UPPER-BOUNDARY FLUX5, m MAX POND HEIGHTSNAPSHOT # 63.i6E+ii s PROBLEM TIME00 BOUNDARY-CONDITION FLAGSNAPSHOT # 73.16E+12 s PROBLEM TIME

Figure 4.t3' DYNAMICS boundary-condition block example.

STEADY SOLUTION FILE DEFAULT NAME: STEADY.PSI

ENTER STEADY SOLUTION FILE NAME:

PLOT-DATA FILE DEFAULT NAME: STEADY.PLT

ENTER PLOT-DATA FILE NAME:

OUTPUT-LISTING FILE DEFAULT NAME: STEADY.LIS

ENTER OUTPUT-LISTING FILE NAME:

ENTER OUTPUT-LISTIN',I CONTROL (DEFAULT=I):

The first three prompts a_sk for the name of the indicated output file to be created. The tilt-' Ilames are

strings of up to 80 charact_.rs with no embedded blanks. If the user does not want on(.' or more of' theseIil_s to be created, the user should respond with the word NONE to the prompt.

The final prompt asks for a control number fbr the output-listing file. The control number must be a

nonnegative integer. Control nurnber 0 means do not create the file (as does the word NONE in

response to the prompt for the file name). Control number 1 means to write results for _tll mesh I)ointsonto the file. Control number N means to restrict the results written onto the file, as follows: write

results for the mesh points at the boundaries and geologic-unit interfaces; write results for every mesh

point that is a multiple of N; and, in the case of a TRANS run with an internal source, write, resultsfor the top and bottom mesh points of the source region.

4,'2, INPUT DATA AND TIlE INPUT-DRIVER MODULE (INDATA) 179

Irl INDATA, when a DYNAMICS input-data file is being created, tile pronlpts for the file block are asfollows:

FILE BLOCK

INITIAL-CONDITIONFILE DEFAULT NAME: STEADY,PSI

ENTER INITIAL-CONDITION FILE NAME:

PLOT-DATA FILE DEFAULT NAME: DYNAMICS.PLTENTER PLOT-DATA FILE NAME:

OUTPUT-LISTING FILE DEFAULT NAME: DYNAMICS,LIS

ENTER OUTPUT-LISTINGFILE NAME:

ENTER OUTPUT-LISTING CONTROL (DEFAULT=I):

The prompts are the same as those issued for a STEADY input-data file, except, that the first promptis worded different_ly. The first prompt is for a file containing the pressure-head data to be assigned tothe mesh as an initial condition. A STEADY solution file can be used for an initial-condi6ion file, or

the user can create the file by other means. DYNAM1CS ha.s provision for an initial-condition block

(Section 4.2.12) which allows several methods of defining an initial condition. If a DYNAMICSinput-data file contains both a file block and an initial-condition block, the initial-condition blockoverrides the initial-condition-file specification in the file block. In this case, therefore, the following isrecommended: if the initial-condition block also specifies an initial-condil, ion file, then tile sameinitial-condition-file name should be entered in bath the file block and the initial-condition block; and

if the initial-condition block specifies a different method for defining the initial condition, then theword NONE shouht be given as the initial-condition-file name in the file block.

In IND._ :"&, when a TITANS input-data file is being created, the prompl.s for the file block are a.sfollows:

FILE BLOCK

STEADY PLOT-DATA FILE DEFAULT NAME: STEADY.PLTENTER STEADY PLOT-DATA FILE NAME:

TRANS PLOT-DATA FILE DEFAULT NAME: TRANS,PLT

ENTER TRANS PLOT-DATA FILE NAME:

OUTPUT-LISTING FILE DEFAULT NAME: TKANS.LIS

ENTER OUTPUT-LISTING FILE NAME:ENTER OUTPUT-LISTING CONTROL (DEFAULT=I):

The prompts are similar to those given for STEADY and DYNAMICS input-data flies. Only the firs(,prompt, asks for a different file. TRANS expects a hydrology plot-data file (presently only fron_STEADY) as input, ur_less a saturated-zone block is present. If the word NONE is entered in responseto the hydrology plot-data-file name and a saturated-zone block is not present, TOSPAC will promptfor a file name when TITANS is executed.

Figure 3.21 gives an example of a file block in a TRANS input-data file. Notice thato the controlnumber for the output-listing file is 200. In Figure 3.23, the resulting TRANS output-listing file isshown. In the section where co,ucentrations are listed by raesh point, only the concentrations for r_he

following mesh points have been written:

1) boundary mesh points,

2) mesh points at interfaces between geologic units,

3) every 200rh mesh point, and

4) the top and bo_t_om mesh points of the source region,

The file block is optiollal. If no file block is present in an input-data file when one of the cl.deulationalmodules is executed, TOSPAC prompt,s the user for file intbrmation, Besides Figure 11,21,examples offile blocks can bc found in Figures 2,3, 2,4, 3,2, and 3.20,

4.2.12 Initiai-Condition Block (Hydrology)

Au initial condition is _ set of vMues a.,_signed t,o a calculal;ional mesh before aLi,erupt,ing a soluiioil, li'ort,he DYNAMICS rnod_lle, which solves for pressure head, the initial condition consists of the set ofpressure-head values at each mesh point before a calculation begins,

STEADY calculales its own initial condition, 'I'hereIbre, the hydrology illitial-condition block is onlyused by DYNAMICS, When creating a S'I'IZJADY input-da, l,a file, INDATA will not prompt ibr aninitial-condition block. If an initial-condition block appears in at steady-st, ate input-data file, ii, isignored during exection of STEADY,

If the input-data file specifies a dynamic-flow calculation and the initial-condition block does not exist,I)YNAM[(.',S will first attempt to open and read l,he initial-.condition file specifi_;d in the file block, If

,q"' i' "no file block is present,, DYNAMICS will at;tempt to open and read the __1 LA1)Y solution file (the fileof pressure-head values created by STI?ADY, default name STI!.;ADY.PSI); ii' the STEADY solutionfile is not then tbund, an error results,

INDATA prompt, s for initial-condition data as follows:

INITIAL-CONDITION FLAGS AKE:I, FILE-DEFINED PKESSUKE HEADS

2. HYDROSTATIC (NO FLOW)3. CONSTANT PRESSURE HEAD

ENTER INITIAL-CONDITION FLAG (DEFAULT=I):

Three different methods of detining an initial pressure head are allowed:

Flag-'1 file: each mesh point _s _signed a pressure-head value read from a lilt previously created bythe STEAI)Y module or by the user.

F|ag=:.2 hydrostatic: pressure heads are calculated for each mesh point so that a no-flow (:onditionresults.

Flag=3 cons_aJlt: each mesh point is assigned a specified constant pressure head,

The default initial-condition flag is number 1: read the pressure-head values from a file. This default isused because STEADY creates a file of pressure-head values (the STEAI)Y solution file, default, nameSTEADY.PSI), and many interesting dynamic-flow problems involve perturbations of steady-stat,,_flows. If an initial-condition tl_g of 1 is specified, INDATA generates one or,her prompt:

INITIAL-CONDITION FILE DEFAULT NAME: STEADY.PSI

4,2, 1NPUT DATA ANI) TIlE INPUT-DRIVER MODULI; (INDATA) ]81

The initial-c.orlditioll-file hartle is a string of up Lo 8(1c.hartu:Lers with no erlll:,edded blanks.STI"3ADY.PSI is the dei'aull, name for the pressure-hel_d file creal,ed by the S'I'!!;AI.)Y Inodule, 1['t,lle

user rai_ STEADY previously during this run, l;he del'aul[, would be whatever name l;tle user specifiedupon entry into S'rEA OY, Section 4.7,2 contains a description o[' content,s and [brmat; of 1,heinitial-condition file.

If an initial-condition flag of 2 is se.lect,ed, IN DATA _gain general;es one other proml)l,:

ENTER PRESSURE HEAD AT LOWER BOUNDARY (DEFAULT=O.m):

'l'he pressure head al, l,he first mesh point (l;he 5ot,Lol,l oi' t,tle mesh) iu used 1,ocalculate t,lm pressureheads tbr ali t,he mesll point, s so that a hydrostatic co_ldil,ion begins the dynmuic-l,low c_dculat, ion, 'l.'he

equal, ion used l,o cleLernline the hydrost, atie condit, ion is as tbllows: '_/.,= _/'1-- z, Not,e t,llat, the bot.Lonlpressure head need not, be tlm same as t,he pressure ll_ad specified ill t,he first, boundary condiLiotl (ii'one is specified), The de.fault lower pressure head of 0 specilies l,he water t,able _t the bot, t,oln boundary.

If an initial-condition flag of 3 iu selected, INDA'I'A again generates one ot,he.r prolnpt:

ENTER CONSTANT PRESSURE HEAD (DEFAULT=O,_a):

This constant pressure head will be'.assigned l,o every lnesh poillt, aL the beginning of a dynalnic-.flowcalculat, ion. The default, is a condition of incipient sat ural, ion. ILshould be nol,ed thai, a consLanl,

pressure head across t,he, mesh result, s irt an iniLial dowllward ttow because of gra.vil,y. li' 1,lie user sL_-trLsa dynamic-flow calculat, ion with a constant pressure head of 0, an ul)per-bourldary-condii, i(m flux of 0,and a lower-boundary-cotldit;ion pressure he;._.dof zero, t,he ('olunm draitls tint,ii il, reaches a hydrosl, al,iccon(tit,ion id(:ntical t;o Lhat which can be speeitied wit,li a nutnl)er 2 inil, ial-condil.ion flag.

An exanlple of an init.ial-condiLion block in a DYNAMICS illl.)Ut,-data file can be h)tlnd in Figure 3.2. _k

4.2.13 Source Block (Transport)

The source (also called the source term) is the origin of the COllLanlillal,ion in a t.razlsport, problmll. 'l'llesource is composed of file following part,s:

1) the initial locatiotl of t,he, contaminants in t.!te g_ologic stratigraphy of a transport proble,_l (thislocation can also I)e called the source region);

2) the initial inventory, or amount, of t.he cont.aniitla_I,; and

:,') the me.i,l)od by which (.he contaminants are reh:ased f'ron_ (,he sourc, regio)).

The source block include:s infortnation on location an¢l nicr,hod of release. P,ecause a large Ilund)er ofcontaminants can be included in one probleni, the init,ial itiw,ntory of a cont.at_li_latit, is defined in thecontaminant-property block, Section ,1.2.16. TOSI'A(' pres¢,.nt,ly allows ollly o_t,"sot',rce regimt int,t:rior

. to the mesh and one n_ethod of release iri a given prol_le_:,.

INDATA begins pronlpting for a source block by first identifying the block, then asking forrelease-model information:

SOURCE BLOCK

SOURCE FLAGS ARE:

O. SOi:RCESET BY BOUNDARY CONDITION

I. INT_RIOB.,CONGRUENT-LEACH SOURCE2. INTERIOR, SOLUBILITY-LIMITSOURCE

3. INTERIOR, FILE-DEFINED SOURCE

4. INTERIOR, SANDgI-OI55 SOURCEENTER SOURCE FLAG (DEFAULT=O):

The source-tern, flag can take on five w_lues, as follows:

Flag=0 source region is exterior to the mesl_ with the source term set iii the boundary condition (thisflag is the default).

Flag:::l source region is interior to the mesh with the source term based on a congruent-leach model.

Flag-2 source region is interior to the mesh with tlm source term based on a solubility-limited-leachmodel.

Flag:=3 source region is interior to the mesh with i,he source term defined in a file.

Flag=4 source region is interior to the mesh with the source term based on a series of analyticformulas.

In the congruent-leach model, the rate of release for ali contaminants is dependent on the solubilitylimit of the first contaminant defined in the contaminant-property block. For example, thecongruent-leacll model is used in the problem given in Section 3.2, where the solubility of the firstcontaminant, _asu, controls the release rates for all the other contaminants. The congruent-leach

source term used is described in detail in Volume I. Note one peculiarity of TOSPAC'scongruent-leach source is that a container lifetime of 3000 yr is implicit.

In the solubility-limited-leach model the rate of release of each contaminant is deterInined by its ownsolubility limit. If there is only one contaminant, the eongruentMeach model and thesolubility-lirrfited-leach model are similar, but the solubility-limited..leach model has greater releases atearly times (because of the container lifetime in the congruent-leach source). The SANDgl-0155 sourcemodel is a parametric model allowing greater flexibility in specifying how the radionuclides are releasedfrom the engineered-barrier system (Wilson, 1991).

If the source-term flag is specified as 0, the prompting begins as follows:

ENTER AREA OF REPOSITORY (DEFAULT=I,m**2):

If the source-term flag is specified as 1, 2, 3, or 4, the I_ext two prompts are:

ENTER ELEVATION OF SOURCE LOWER BOUNDARY (DEFAULT-O.m):

ENTER ELEVATION OF SOURCE UPPER BOUNDARY (DEFAULT=O.m):

,t.'2. fNPUT I)A])_ AND THF, .INF'tTT - Df_I_'E't_ M()D (:I.E _(INI)A]_A) tS3

Source boundary eh.vation_s I'IlUSt be re,al l/t,llllt>ers ,:#,lid ltiU,_{ ]_': less than tl_v l_a×inmu_ _-,h_vati(,i_ and

great.ct than the lnininlunl eho;,atioil of the I'llt?,Sh, 'I]1_-''[OW('r [io_llld3l'}' t)f tilt Sc_,l.ll'¢{'llltlst }_*,.'[,,qov_' l:l.l_.'

upper boundary. A s<:mrce region li:ms* enco_,p_._ss a_ [,,t_.,-.i,.,1',,' cell; ltell<:'_,, lh,. Upl,er ;,.Ild lowerboundaries cammt, be at the sante elevatic,n.

As discuss,,d i l_ the geologic-unit, block (SCC[,IOII '1.2,7)3.]i3 tlle.' III'"S}! block (S<wl,.h.)ii ,1.2.9), til,,

sotJ;rce-b.oundary elevations should fall exactly o, tl,_s'h i)<,il.tts. \Vh_q}lt.r t.h,_se (-,h:,vati(ms _tll,:lpoilit,_o:>iricide ca.nriol be <t,'(er'l).,ined at t.he l,ii)ae INI):_]3_,. is cr(,;.tti)lg lthe lra l)sl)¢,r.l ill[:)ut..<Jal,'.#,tih:,, if

'r[{ANS atterapt,s t.o .rmi v,'.i_]t t.ll(:_s,:elevations and pc)il_t:s (_u.t of alignmel,t., '[HANS t)uts .I.he sou¢'ce

boundaries at I_teart_y mes}t pohlts, l,erhaps chaligi,g Ihe i,ro_;l,._lli ill al,l uI_d,._siratde way. 'I_ItANS

issues a warriing Ille,,,_ag,e to alert the user to the silualion.

An interior source region can_to! iiiclude vilher fth__ h:,w,,r or ,t.,l,cr I,ol,=indar'y l_,:,sh point. Further_lor,,,

source reg}on<_ theft t)t:'gill Olliy Olle cell irt fron_ ,.,ither bo,._lt_ia:try <'a_:__:aus{, I_.rg(' _:rrors it_ titv _ta,ssbalal_ce; t.herefbre, ii is recollllnelld_,_d that several calls b,,, il_,,,,erted belw_,'elt a sol.lrce tegiol,t and a _ne.,,}i

boundary,

INDA'[A cont.in_lcs by promptillg for int'orn_lioii cc,ric,.ri_il_g the ptiysical layout o{' the ('ontai_tilia_lt ii_

the source wgioil- -i.e., the repository:

ENTER AREA OF REPOSITORY (DEFAULT=I, m**2):

E}_TER FRACTIO_ OF REPOSITORY AREA COVERED BY CORTAMI}_AI_T(DEFAULT=I.):

"I"lt_' area of the re"_o,,,itory is requt_.sted wlleIt t}l,., sour c,:.t,,/'lit flag; is 1, 2, 3, or ,_. 'I'he f'r:tction of the.

repository area co','er,.'d by colit.a,llil_a_t is prollli,t_.,t for' wl_t._l lh,, so,r,:_., t_'rni flag is i, '2, (,r ,1;hOW(eVer, Ihi,s ifip'dr is li,,.)t /ls('d _,_,'}:l_'II the Sotlr('e-icrltl llag, is ,1.

The initial il_veu{or;,,' of a contan_i,_ant is ,t,etini'd i,, t},,, c_:,I_t,.tliiil,_t_t-I_t,<,t,_:,rty t,.I,:.,ck;_t,, d_,fau]t value,.,

are in Ier,,_sof total tl_oh:,.s (S(_,ctioii ,1.'216). This tol_tl ;illtt.,t.llll (1['('('Jlt(,{'ll'llil'13,11[ii, consid_'r,:'d t.o b,:'

spread <:)tit..a¢col'dJllg {0 {;}lC'fract.ion ,:_"th_, :,'posi[<,O ar,,;.t co_,,red, o>,r i}_¢' _tr,'a oi' the repository.

Ii' the source-t,erit_ flag is 3, t)t,, p_'ornpt for fraction c,f l Ii,. r,'t,,._sitory .'.:tr,'a i,-, r,et,!a,,:ed with t.t.l_'%l:lowii,g

pronlpt:

SOURCE-FILE DEFAULT RAME: TRAI{S,SRC

EtCI"ERSOURCE-FILE I_AME:

T'he sour'ce-file iiame is a string of up tc, _.;c)characters with _1o _-'lltt,,'dded blanks. '["he Iii,," rimst exist (,,the u.ser's COlll[)tltcr sysleiii al. ltle fiUle TITANS i_ t.xi,('ut,,,] o:r 'FI{ANS will t,.,rliiil_at.c wil ti ali erlor.The coiitellt, and forillat of t.he "I'}:I.ANS sc,urce file is d_,scr'il.,<'d ir_ S,,ciioll 4.7.8.

If the source-term flag is .t, die followilig additiol.ial prolill.,,s ar_, gem:.r_.it_,d.

EUTER REA_ CANISTER LIFETIME (DEFAULT=O. a):

ERTER MEA_ CLADDIRG LIFETIME (DEFAULT=O, _):

E,HTER BEGI_IHG OF RESATURATIO_ (DEFAULT=O, s):

E_TE.R E_D OF RESATURATIO_ (DE.FAULT=O. s):

E_TER TIME,SCALE FOR RELEASES FROM STRUCTURAL _ETALS (DEFAULT=O. s):

E_TE,R TIME,SCALE FOR RELEkSES FROM CLADDIRG (DEFAULT=O. s):

E_TER TIMESCALE FOR RELEASES FROM FUEL MATRIX (DEFAULT=O, s):

ERTER ALTERATIOR TIMESCALE (DEFAULT=O, s):

1_4 ( 'tlA P"I'I':f¢ .I. (3 ENt,'.fL,X I. ,f_,EI_'I(I_ EN( 'N

ENTER FRACTION OF C-14 INVENTORY IN STRUCTURAL METALS (DEFAULT=O,):

ENTER FRACTION OF C-it INVENTORY IN CLADDING (DEFAULT=O.):

ENTER FRACTION OF C-14 INVENTORY AVAILABLE FOR QUICK RELEASE (DEFAULT=O.):

ENTER FRACTION OF M0-83 INVENTORY IN STRUCTURAL METALS (DEFAULT=I.):

ENTER FRACTION OF ZR-93 IffVENTORY IN CLADDING (DEFAULT=O,):

ENTER GAP/GR,AIN-'BOU]_ARY FRACTION (DEFAULT:O.):

'Fhese l,r,.)ll_pts should I,e reas.ollably s,.If-t_x1:,tanat,.:,,y, but del ail_ of how til,:, parall,,t.ers are ilsed izJ

cal,:ulatilJg _our(',. r,l-a.ses tlJay b,: f'oulld in Wilson (1!)!)1). lt is of illt(,r_,.'_t t(:, tl::,t,_ tltat tj,"

congrt.t,:,t_t--l(,a('h sot_rc,., is a st.+cia] c."_,s_+ of the SAN l;)!:_l-(l] 55 source, obt ail,:d ,,','iih the folic, wingt)ararltc.t ,:,r values:

• Ni,..a,l c,_,nist_.r lifi_.tiilJe: 300()yr (a caui.,,ter life (:,1'31)(J()yr is l)r_,graII.m'd illtc., the ('(,ngru¢'nt..l,'achsotlrce t_.rlH).

• M,!'all ('],_d(tiI_g [ifl'ti,_m._: 0.

• .t.:_._,l_,a,s,:,til_.',_cal_,'. (ali f(,ur of _t_l):

I(11,[_.'t ,, _,.N'l.'

wlwr, AI_, is lhc ma.ss (:,f uraniu_,_ i_, tl,e i_,vr,,t(,ry (f'r(:,_,_t},_., r<._tal_lil_al_t.-t)r()l:),,rty t,lock, th_.

i_,v,:,nt(,ry of' ":_"[:). q is t},_' volu_,e llux (_f'wat,.r (fr'(,_r_ tj,:' S'|'I'2AI)Y t,:,undary-(:o_idi_iol_ block,th,, upl_..:.r-.l;_)undary flrx), .f,: i:._ii,. fracti(,l_ of lh(, r',..t:,ository cover,,(! by ('onta_ina_t (l'r()_ tt_(,

s_:ur('(, block, above), A,,,._, is ttmp.r(.t.,osit,:_ry ar_,a (fr(.,_n tt,., s_,urc_ _ bit)ck, above), a_,t ,','_, i!s t lws.(:,lul,ility of t_ra,i_lz_ (from t l_, corltalr;i;lai_{., t)rc,l>ery I_l(,('k).

• Fra('ti(,_ of :I._(-,i,,,'c,l,tory irl structural _,tal_: _ti_',' ','alu_..

• Fra,:ti(:,_ of _4(.., i_,ve,tory in claddi_lg: a_ly value..

• Fra,'ti(-,_, (:,f _.a(, ilxv,,nt(,'y available i'(,r quick rch,a,sr: ().

• Fractio_ _.:_f'"':_X'_oinv_,_tory in structural _etals: a_O' value.

_, Fra('ti(.)n of :'aZr invent¢,ry i._ claddi_g: a_o' valu,,.

(;at_/grain-bou_,.lary fractioa: O.

The corr,:st,(:,nd('nc_, t,,tv,'e(,_ _t,..' congr'ut.i_t-h,ac}_ sour,:',., amt the S.,\ND,ql.-(Jt55 sour(',, with t.h,. al_o,,'r

t,aran_et_,r values is u(,t. exact, for lov,,-s<.,lul,ility _u,:.lid(:,s. t,_,('ause solnbiliD' _s handled diffi'r(,l_tly iu tl_,.'

two source.,. (see l,'olumr 1 a.__d V',"ilsoll, 1!191).

An exa_ni,h, of the source t,lock fbr a source interior to t.l,,.- me:,,d_i_ )_i,,'e_ il_ [:igure 3.'21. ,_._ exa_pl(, of

the source block for a source exteric)r to the _ne:sh (i.e, (.,_ lhc bou_,.lary) is given in I'igurr 2..I.

.1.2. INP(IT DATA .4NI) ]'lte INt'_.1'I'.-I.)f?I_,'Ef¢ MOI)I_I.t'; (INI)A'I'A ) 185 .

4.2.14 Geologic-Unit Block (IYansport)

The geologic-u,it, bit)ck is us_"d t,o a._sign transl,or_.-sp_'cili,: data to til,. _'(,l()v, ic units (Mir,:.(l irl t},'hydrc, logy input-data fih _. Much ,_f the discussic, rl i,! this s,,:tio, _'' '(rl _ i t'_'''_ k _ _ ('_' I _ '(:_ _.' '.:' f I } _'' I ) 3' _J _' (.' I ' :'_: _ '

geologic-unit t_h.,ck, and the user _houht read Sect.iOll .t.2.7. 'lh_:. t:)url,()s,, lo." having srl,aral._'geologic-u,it blocks for hydroh:)gy aim transport i tll',ut-dat a tiles is t_, all(,w ll,ul_iph, tra1_st,ort

t:,rob l,_t l> to b,* }:)a.st_d(,,_ a singh., hy,trol,,g,y l_robhq,i.

'I'be geoJogic..unit }.)lc,ck is only required if TRANS is ox_.,:'vted usill),., a hydroh)gic t)ackgr(,u,l,I f'r(:,lsl _.LST[;_ADY calculati(:,n (using a S"['EAI)'f I,lot..data. lile). '['t/ANN (:ati t,_, r×rcut,-.l i tld('l,_l,.:lo.t. ,:)t'

STF, AI)Y: in tl,is ('a.se, the user sut,plies the hydr,::,h.)gic tmram_:.tt_rs the ',valor vvh,cili,:,s ali,l JJ,,,,.;t,Jr'_.

c,:,,nt,,uts .....for each g_'c, logic utlit.. 'l"tw us,v-stipt,livd imra_nct¢'rs :_u.,.l b,, g,iv,t, itr a. sal,Jral,.ct-.z(,_c

block (Sec/.i,::,n ,t.2.15), wl_icl_ rq)laces the geoh_gic-unit bl,.,ck

The nu,nlwr of geologic u_its m'l_st t,v the sallle i,l Lit,.' t.r;_=sl,,::,rt g,,t_logic-t_tiit I)h:,ck a.s ii, 'cit,..

)kv(lroh:,gic geoh:,gi('--unit Iflo('k. Ft, rtl,er,m:,re, riley m'ust t,., irt the sa,u,, _)i',.h.,r, be.cause tt_(, pr(,,l_cr, i_.s

arc u_al.)lwd first ul_it lt, tirst unit, sec(:,nd unitr tO sec..md ut_it., etc. ]'()SI'At: (t,)cs ,lot a_c'ertait= tidal

the geologic units ;-tr(' _.ho satlie; this cottsist.cttcy is rcqlJirc([ o1"th, us,v.

A discussion of g(.'ologi('-unlt inpu.t data r('(l_it'(:,<t by TRANS follows. 'l'J.' user is also advise(/ l_..,r,'ad

,qe(,tio,_ 3.1 of _..'olu,,, ," I to gain understal,ding (:,["the sigjlilica.lac,., of t,h(._c ,lata i. a trar_sp()rt

calculatio=t aim how T.lw li_nitations of tire 'l'()SlbX(: t,rallst.:,rl ,nod¢_l hay,? i,tltu,q_ced tlw ct..)ice:: it=t.bese data.

An INDA'FA se,ssi(m f(_)rconstructing a g,'ologic-unit b]o('k begi.s v,it}t a query Io det.,,,r_in_, lJ_,,

t,roble_rl domai n.

UNSATURATED- OR SATURATED-ZONE PROBLER (U OR S):

Seh:_cti(m ,.:>t'the sat, ural_,d-z(,_..., probhm_ lt'ads to creation of a saturated-zoi., bh)ck (S_.::t i(:,l_ .1.2 15

Seh,ction of tit_(, ul>al,.Irated-zon(, pr(_l:)len_ h:,a(ls to cr_.ati(m of a goologic-unit t,lc, ck.

(',onstructi()n of t,he '.I'H,\NS g.eolc)gic-unit block begins i,.h?rctically tc, the ."'rvati.:m of a h.v,lr(_l,:_<y

g,.ologic-u,lit, I,lc'.ck (S,:,ction ,t.2.7 contains detai l;._):

GEOLOGIC-UNIT BLOCK

ENTER # OF GEOLOGIC UNITS (DEFAULT=l):

UNIT # I

ENTER UNIT # i NAME:

'["he unit, i_atr..s ca. },,. dill2.rent from the nante:._ giv(,_ iu the hydrology i_l)Ut-dala Iii,.', t,,.,wcv,.r', i is

r,,cot_ltztcnded thai they be thr same.

Then: IN I)ATA l)ro_l:,ts reflect trar_sport-sl)v('ific data:

ENTER BULK DENSITY (DEFAULT=2000. kg/m**3):

Bulk density is the density of a unit volu,ne (retnclnb,.'r, tlu _ us_:.r (i,.tii_es lhc units) of a g_:,ologic unit,

186 C'ttA P'I'ER ,I, GENEIL4 L IfEb'Et:_t'?NC'E

bor, li matrix and fractures are included. It, is tlsed in _.he calculatiozi of t,lle retardatioll factor, along

wit, h the moist, tire content and t.he contanlinant.dependent distribution c,_,.-'tlicivnt (Voht_ne 1 ). '|'liedefault vaiue is for a gmkeric rock in SI uuit.s, l,'or reference, t.he density ,,ff water ill ,S'I utJits is l(/00

kg/ma; in cgs utlit,:_ it, is 1 gin/cre a. Any real l_ulnber greater than z_,_o is ac,:'cpted as inputs.

Next,, prompt.s are issued for various fract, ure characteristics of l,he unit:

ENTER FRACTURE SURFACE AREA PER UNIT VOLUME (DEFAULT=0. m):

ENTER FRACTURE SPACINg (DEFAULT=O. m):

The fracture surface area I_er unit, volUllle is t, he &lllOllllt of fracture wall area in a unit, volulll_, of rock',

ii, is used in calculat, ing t,he fracture ret, ardat, ioli factor. The fracture spacing is t.he average disl.al_co

bet.ween fractures, cent.er to center; it is used in the calculation of l.he n,at, rix/t'ract.ur,, cout,ling(discussed below). For simple planar fractures, t,hese two numbers a.re related: if 2a is t,lle fracltlr,?

spacing, t,hen t,he fract.ure surface area per unit volume is given by o'i = 1/,. Not.e that. in t},e 'I"R.ANSinput-data file irl Figure 3.21, the fract, ure surface area pev unit. volulne is alwa.ys two divided tkv t.}Je

fract, ure spacing, because t.he only data available a.re for fracture spacings. 'l'hv. defaults of 0 ilttply nofractures. Real numbers greate.r than or equal to 0 _tre accept.able input..

Next,, [NDATA prompt.s for information used iu calculating hydrodynanlic disp_,rsio1,:

ENTER LONGITUDINAl, MATRIX DISPERSIVITY (DEFa.ULT=O. m):

ENTER LONGITUDINAL FRACTURE DISPERSIVI'I_'(DEFAULT=O. m):

'I'he matrix and fracture longitudinal dispel;sivit, ies are t.he rates of colllat,linaltt hydrodyllaliJic

dispersion downst, rea_n t,hrough t,he geologic unit,. Although the defauit.s llave been set, t,o 0, these

defaults are not coTascvvalivc. It, is highly recomnlexlded t,hat. t,he user nlake an clforl l..o use actual

dispersivit.ies. II' the dat.a do not exist,, ali alt.ernat.iw_ is to use some value proportion;d to t.h¢, dis_an('e

a contaminant, travels i_l the unit,, e.g., one t,entoh of tile unit, thickness, Any real nunfl._er grea.t_r lhanor equal too0 is accepted as input.

The next. prompt, s are related to t.he stat, istical w.mability of the water velocity within t,tlo geologic tlnit:

ENTER MATRIX-VELOCI_T CORRELATION LENGTH (DEFAULT=O. m):

ENTER FRACTURE-VELOCITY CORRELATION LENGTH (DEFAULT=O. m):

Correlation lengt, h also is used to calculate hy_rodylla, lrtic dispersion; t,he short.or t,he correla.ti_._n

length, t,he snmiler the distance over which the velocit,y is variable, and t.he II_ore quickly cont.al,'liftant, s

are. dispers4_d. 'I"he default, of 0 is t,he lnosC conservat, ive case, implying that, the conl.amina[_ts reach

t,heir rna.xilnuln rate of dispersion immediately. Any real number great.er than or equal t,o 0 is ;_.c,,'epl._.,d,.'.s iliput. Sect, ion 3.1.3 of Volu,,,e: I contains a ,.tescription of tile dispersion nlo(lel used in Tt_.ANS a_d

how the dispersivit, ies and c'-)rrelat, ion lengt, hs are used.

Tile la.sf prompt,s for this data. block concern tile path t,hat. a contaminator nmst take as it is

t.ransport.ed:

ENTER MATRIX TORTUOSITY (DEFAULT=I.):

ENTER FRACTURE TORTUOSlTY (DEFAULT=I.) :

Tortuosit, y is a dimensionless mea,sure of t.he "crookedness" of pat, hs though a geologic unit.; i.e,, t.he

amount of t,wisting and turning involved in passing from pore I;o pore down t,hrough the unit,.

4.2. INP[7'I" DATA 4ND TIlE INPUT-DI_I'_'t?,R ,_,IOI),I!.LE (INI)A, TA ) 187

'lbrtuosit,y is used in cal,"ulat.i.llg ralolecular ,:litFusi(m in bol, h the lltatr'ix/fracttlr,, couplillg otfi:_ct a.d _he

vertical.-transport, dit[usicm/dispersion terne. 'Forttlosi_y tait be atly _lUllt[.)er grcaler t ha lt t:,r eqllal t_ t.

The default values of l are conserval.ive (i.e., st.raight, tat.hs).

The final t.ra:lsport-r_,lat.ed t_rompt for the geoh)gic-unit tJo¢:'k is a,s tbllows:

ENTER MATRIX/FRACTURE COUPLING FACTOR (1)EFAULT=I.):

The naat.rix/facture coupling fact_.,r &'scribes the altlourtt of contatninatlt, that is t.rallst'crr,rd t'r,:,tn

fract.ur_,s lo matrix, or vice vt, rsa, by zlwa.ns of ,tit.rusion (a proc(,ss of/:.ti called t_lal.rix dill'u.,-&,n). l'h,,

mat, rix/fact.ure coupli._lg fact.or is an adjt_st.mez_t t.o lhc strength of t.llxs c_-,uplizl_. 'l'his ['acl()r call b('any nonm, gat, ive real nunlber. The larger the factor, the st.['oJlger th_' COul,lil_g. 'I.'l_t:'dcl'aull, value ot'l

is the st,andard malrix/t'ract.ure c.out)ling as deti_ed in Vol'u'mc l. 'l'he d_['ault, value is actually ¢t_it_ ,

st.rong', coi_ta_)_inanl,s cannot be l,i'allSI.)orted dov,,ll t.he fractures very ['iii' [)efor¢: bcizig [.)ull(,_l in(o Ill(.xnat, rix. In Volume .I, a coupling factor of l is used for t,hc strongly tout)led ca.s,_s; a. ,'oul:,lintg i'a.clor <,i'

10 -'a is used for t.hc w(.,akly COul>led caa's. A couplit_g factor of 0 in_l)lbs z_<:,c<,<:,ling; (:,.g., a.s ii' l.t_'

fractures were lined 'e,,it,t_ a d_,.posit in_t>_..,r_neable to the co_d.a_LH_ax_t. A col.lpli_g fact.or of () is !)rot):xl_ly

conservative; tmwe,,'(,r a COul)ling fact.or of l is probably z_ore accurat.e fl,r _a._st circux_islal_cc, s.

A port.ion of the IN I)ATA t.er_ninal session for crea.ting t,ht, geologic-ul_it I_lock shm','_ i_ [:igur'e 3.21follows:

GEOLOGIC-UNIT BLOCK

ENTER # OF GEOLOGIC UNITS (DEFAULT=I): 5

UNIT # 1

UNIT # 1 DEFAULT NAME: NONE

ENTER UNIT # I NAME: (,'][n=

ENTER BULK DENSITY (DEFAULT=2000. kg/m**3): 1610. kg/'m**:J

ENTER FRACTURE SURFACE AREA PER UNIT VOLUME (DEFAULT=O. /m): 5,,/m

ENTER FRACTURE SPACING (DEFAULT=O. m): 0.3'3m

ENTER LONGITUDINAL MATRIX DISPERSIVITY (DEFAULT=O. m): IJ. m

ENTER LONGITUDINAL FRACTURE DISPERSIVITY (DEFAULT=O, m): 13. m

ENTER MATRIX-VELOCI2_ CORRELATION LENGTH (DEFAULT=O, m): 3(].m

ENTER FRACTURE-VELOCITY CORRELATION LENGTH (DEFAULT=O. m): 10. m

ENTER MATRIX TORTUOSITY (DEFAULT=I.): .lO.

ENTER FRACTURE TORTUOSITY (DEFAULT=_,) : I.

ENTER, MATRIX/FRACTURE COUPLING FACTOR (DEFAULT=I.):

UNIT # 2

ENTER UNIT # 2 NAME: 7'_;wP.-,_

ENTER BULK DENSITY (DEFAULT=2000. kg/m**3): 2,'300.kq/m*'*3

ENTER FRACTURE SURFACE AREA PER UNIT VOLUME (DEFAULT=O. /m): _0. /n_

ENTER FRACTURE SPACING (DEFAULT=O. m): 0.()2,5 m

ENTER LONGITUDINAL MATRIX DISPERSIVITY (DEFAULT=O, m): 21. mENTER LONGITUDINAL FRACTURE DISPERSIVITY (DEFAULT=O, m): _2/,m

ENTER MATRIX-VELOCITY CORRELATION LENGTH (DEFAULT=O, m): JO. m

ENTER FRACTURZ-VELOCITY CORRELATION LENGTH (DEFAULT=O. m): /(].m

ENTER MATRIX TORTUOSITY (DEFAULT=O.) : 10.

ENTER FRACTURE TORTUOSITY (DEFAULT=O.): I.

188 (:IIA P'I'Etf ,I. (;ENEI_A L 1U.3ct",t_.EN('I '',

ENTER MATRIX/FRACTUEE COUPLING FACTOR (DEFAULT=I.):

UNIT # 3

ENTER UNIT # 3 NAME: 7',.qw.l

F,xamph's of geologic-unit,t_locksiu TIIANS input-datafilesarcgiven in Figur_,s2.:Iand 3.21.

4.2.15 Saturated-Zone Block (Transport)

The sal.urat.ed-zolle block is used t.o a.ssigll hydrologic and traTlsporl data to t.h,: get,logic ultits. 'l'heI.;urpose of a. sat, urat,ed-zone block is t,o allow/.rallsporI, calculat.ions in/he sat.ural,cd zt)lie. '].'[le

,,_at,ural.ed-zone block is based or_ the TI{ANS geologic-.unit, block; l,mch of t,he discussiolJ iii this seCl,ioll

requires knowledge of i,he 'FI:{ANS geologic-unit block, alld t.he user should read _ecl,ioll 4.2.1,1. The

sat.urated-zone block is ident, icM t,o t,he geologic-unit, t_lock, excel)l, I.]lal, it cojltains sCVell illOre it,elns of

data. The sat, urated-.zow_, block replaces l,he geologic-unit, block.

The TITANS llloduIe of 'FOSPA(:, call solw.' l,ran._;l.)orl, i)rot_lenls in eli, her the unsaturated or l[l_

saturated zone, [)til, llOt bot.h at, l,he sam_, l,ilnc, (S'['EADY and DYNAMIC:S can only solve t_robl,.qns lit

t,he ulisal, tlrat,ed zone.) '['he geologic-ullit, block is required ii' 'I"ItANS is execul.ed using a hydrologic

background [roln a STI'.,'ADY ,.'alculat, ion, (usilig a S'FEAI)Y plot-dat, a file). For a sal, ural,cd-zolw

t:,roblern, l,he. t,ser can suptdy the necessa.ry paralnet,ers .. t,he water velocit, ics, llloisl, ur¢::_ contelfls, aim

calculational inesh ....ft, reach geologic unit usiqg asaturated-zone block.

[Mtially, 1NI)ATA a.sks for l_}le i,ype of probletll.

UNSATURATED- OR SATURATED-ZONE PROBLEM (U OR S):

Slwcifving, . _tll unsaturated-zone problem causes (,reati(.m of a geologic-ul,it, blo,'k_ i,,.ect i(:m','q4.2.1,t).Si,e('ifying a saturat('d-zone problem causes creat.iou of a sal:ural,e(]-zoll(-" block. (k)nslruclion (:-,fthe

'['HANS sa.l.urat.ed-zolte block begins similarly t.o the ('real, ion of a THANS g(_ohJgic-unit I,h,ck

(Secl.ioi: ,t.2.1 ,t ).

SATURATED-ZONE BLOCK

UNI'r # I

ENTER UNIT # i NAME:

INI)ATA next begins to pron_.pt for t,he data fbr one geologic ullit al, a t.inle. First, INI)A'IA t.;rolnpls

for t.he size of a geologic unit,.

ENTER START LOCATION (DEFAULT=0. m):

EI_TER END LOCATION (DEFAULT=100, m):

,t. 2. INP UT I.)A'I'A A N t) 'file INP ! IT- I.)RI VEt{ I_I0 D U L E (IN DA'I',4) 1,.";9

Boundary locations corre.,.q:_ond to the lov,'er and upt,cr elevations of a geologic uzlit, iii a hydr,,logy

geo1ogic-I.!Ilit block. In tile convention adol.)tcd for 'FOSPA(:, the l)r'ol,lvllj dol_mill str_..tcl,:'s t'l'oIll h'ft lo

right, with left. (,orresl.)On_iillg to lower _md right correspc, lldillg lo Ut,l)_:,r. llow(,v_,r, flow call t,_ iii _.illl_rdirection ;rod col_tamillailt.s can be in.iect_d a,yw}Jere ill l.h_' ii,:,sl_. Accq_t.ntJle eilt,rics are ;tlly 1't,a.l

ntixtlbers. If more tha.n ollt-' geologic unit ha.,.' be,:_l spccifi,.'d, tile boulidarit_s of gvolc.,gic ullil.s [lltlSt, ,:ii,til.

ENTER RUMBER OF CELL,S (DEFAULT=S00):

'l'he nunlbcr of cells is used [.)y 'II(ANS to del,crnline a. siIltl_le c_tlctllal, iolla.l illesll. '.1'11_,c,.lls will I_v of

uuiforn_ size, situated l)etweer_ the boul_d_).rie,_ c)f the g('c, logic unit. 'l'he ll!.l!_d,or of ceils IlltlSl I)l' ;".I1

integer greater than four.

Next., IN I)A'I'A prol_ll._l.s for the hydrologic par_xl_c'l.er,_.

ENTER MATRIX WATER VELOCITY (DEFk, ULT=0. m/s):

ENTER FRACTURE WATER VELOCITY (DEFAULT=0. m/s):

ENTER MATRIX MOISTURE CONTENT (DEFAULT=0.):

ENTER FRACTURE MOISTURE CONTENT (DEFAULT=O.):

'l'hc water ,,,docity ca_ be _:tny real _m_ab_:l'. 'l.'h,_ defaults are I_o-ltow condit.io_ts for _ ditt't_sio_-t,l_ly

t)rol_h!l_. 'I'he tnoist.ur,, c,::,_tt.ent is the sa_,, _t.sthe (,ff(','tive) t_orosi{y i_ ,_ s;tt_lrated-z<m_' I,l'c,I,},'_l.

'l'he lr,oistur(, co_ltent ,:'a_t be any m_mber be.twe<ql 0 _=_.1 !, i,_clusiw_. 'l'h,: &,['aults i_l_l',' _.xl_

i,_lper_tteabh' _nediu.t; no t.olution is possible ii' both liioisture-cont,.itt defaults _trc sel,,clcd.

'l'he rc_l_a.in(:h,r of t.he (t(tla r('quired t\)r a geologic _nil. is ,,xa('tly the S;tlll(' ;l,,q l,}l_lt, rvquir('d ti,r lh,,

geologic-unit I)lock: bt_lk d(-'nsity, fractur(e surface area, t"ractur_ st)a('ii_g, l(-)l_gitudinal dist_(.,rsivitics,

velocity c()rrvlaliol_ let_gths, tortuositi(:.s, a,ltd i!_.tt.rix/fracl_ur(: c,:)upli_g faclor. I),.,scrit)l_io_s ,.,f th_,sc

da.t.;_ are give!_ i_ Sc'ct.i(,_t ,t.2.14.

No ('xa_r_ples (_i"s;tl, llrt:.).l_,(l-ZOll_ blocks are collt;.till{'d iii t.l,is l.lser's (;uid_.; tlw block is i<l_,l:li,':tl t<_ _

'I'I{ANS geologic-unit block, excel)t, the block Iteadcr Sl,_),t,t_S SeX'['U IL,VI'I'31).-Z()N 1,3,_-t_ttt(,acl_ #:',)l<,t_ic_il.. has the se','vt_ additional it.e_,_s of data. discussed allow.,.

4.2.16 Contaminant-Property Block (_Ih-ansport)

'l'hc co,_ta,,_ina.nt-proi,_,rty block dctit,es the 1.ra,lsporl-spvcific clt_r_.u't.vristics of the c_mtan,il_a.nts.

N1a,ly ('ont.a,t!i,_a,_t i)rot,,'rti_s _veth'd as input for "['(),qPAf' car, I:,e t'oui,l in the (?lr(' lfandt:ook ¢,J('h_m_._lr_] a_d t-_t_ysic.s (V_',.',.st., 1990-91).

T()SPA(: preseztt.ly o_ly handles v, :tter-.solut,h, contalllillgllltS, includii_g radiol_uclid_'s. (N_,_l_ol:.tr

c(mt.al_ilZa_ls • n_osl gases, oils, ga,soliJ_c, glycerim..s, el.c.-- ar_., l.ranst_rled hy a _ecl_al}isll*. k[l(_wl_ a.stwc:-i-,ha.se flow, which is t_ot i_corporatcd into 'I'()St_A(7's {low solw, rs. Colloids, or tmrticl_,s SUSl_,.I_<h,d

in ground',vat.vr, might be added to 'I'OSPAC's traIisl}ort solver at a lal_q' ,,t_.tl.t!.)

The conl,an)inant-properly block is orga_lized I,y chai_ls a_d st)t,,:'ics. The orgai_izatioti v,'a.s dev_q,,_lwd

specific_._lly for radionuclide contaminalats. A claai,_ is a s_,ries of sp¢.cies (or isol.(,pes, t,r _cli_l,,:s),

rel_tt.ed tc, each other by radioactive decay. For grou,_tl;val.¢r co_teti_i_anls, t.]_e radioactiv,: dcc_ty is t]l_.

process by which o_e isol.ope changes into another: Ibr il).St3.11ce, beta (l('cay ta. ileutrol) cl)a)ltgi)_g il_(.() a

proton and ;m electron), or alpha, decay (loss of an ali)Ira l:);tr(.icl,: two l.)rot.on:s and two !_(,utr<,ns a

190 CtIA t:"I'I!;t_ 4. (; t!',NEI:_A L i{.l'_.f"t'_,1_EN('I.'_

heliunl rra<Ieus)..As ali example, the phltoniul_l isotol,e with a. molecular weight of 240 (:!'_°Pu)

undergoes an _dpl_:, d(_c_y t,c, become the uraniull_ isotope with a. lnolecular weight of 236 ("as U), which

undergoes anot.her alpha, decay to becotne the thorium isotope wit, h a. molecular weight of 232 (":_U'l'h).IIi l,his C_l,Se 240|)ll, 2"_<;U,and '_a>l'h tbrm a single chitin of three species. 24°pu iS referred to as the

p_rent,, :'a';U and 2a"'li'h are the daughters (note t,h_tt 2a';l._l is als()the par(_nt of u'_>Fh).

lt.adioa.ct.ive decay chang<,s one isol, ope it|to anol, hcr as an ext)one'_l.i_d furl<<ion of t,iln,-. 'l'}lis full<<loll

Of till_e is charac/,erizvd by a half-life: l,he time it. takes half of the parent to decay into a daughl,er.

So<he r_.tdionuclides }law._daughters t,hat, are not, of collsequence in ,_a,ay problelns. For instatlce, lhes¢;

da||ght, ers 1night not, t_e radioactive or toxic, or they nfight, decay tot) t'a,st, to be of significa.nce. I'_urther,nlany cont, aminant, s are not., radio¢_ct.ive.

'lh digress for a Inonient,, if a. ||o||r_dio_ict, ive conl, aluiIlant breaks down clleinica.lly (perh_ps by a

biological age|t{,) im,o _ulot, her cont_,minmlt of concern, ii, may be possible to Inodel it using chains: ;u_dspecies. Such a contalliiflalll, could be described ;_s having a "half-life," i_ the sense t,]la.(, its al-llount.

may decrea.se as an eXl)Onenti;-d funcl, ion of time. if it, changes according to so_rte other function of t,iil_e

(e.g., linen r), ii. could _0t be modeled etDctively by the present version of'FOSPAC.

Many conta.,ni||ants of interest, are described by chains containing o||ly one Slmcies. Tra.cers are a

specia.i class of conl.alllillallt l,ha.t, should be mo<leh:d in TOSPAC by a chain consisting of t_singlespecies.

'l'he I NI)A'I._A niodule begins pron_f_t, ing for cont, atninattt properties by _utm)uncing <,he data, I_h_ck aitd_ski_lg for the tm_nber of <Ill, ins:

ENTER # OF CHAINS (DEFAULT=I):

The number of' chai_s n_st t.,c an in<egcr great,tr th_u_ 0.

IN D.A'I'A now bcgi_s asking tbr informal, ion co_ce'rning each chain:

ENTER # OF SPECIES FOR CHAIN # I (DEFAULT=I):

The number of species l,lust; be an in<egcr gre_:_t.cr tha.n O. The total number of species i',_ ali ch;,ins

_mst be no _norc t,ha._ 50. Notice that l.he defaull, is for one chain with one species (i.e., oneconl, mnina.nt,). If more tha.n a single chain h_s been specitied, the pro_q_l, for the number of species isrepea.t.ed, once for ca.cb chain:

ENTER # OF SPECIES FOR CHAIN # 2 (DEFAULT=I):

ENTER # OF SPECIES FOR CHAIN # 3 (DEFAULT=I):

If a comaminant, occurs in t,wo chains, TRANS tr<ats ii, a,s t,wc) dilDrent cont, amina.nl,s _.nd, ii. tnust, be.

eat,ered t,wice in the cont, aminant,-property block.

In order to allow each block in a TRANS input,-dat, a. tile to be self-cont_dned (for modifying and for a

,I, 2, INPUT DA TA A NI) THE INP U'F-DI_I VER M OD UI: E (IN DA 7'.4) l 91

consistency check), the number of geologic unit,s lllust be reelltered:

INDATA now indic.at, es that it, is ¢_sking for data c.oncerl,_ng the first, chai11, first species:

CONTAMINANT # I CHAIN -;taI SPECIES # I

CONTAMINANT # I DEFAULI' NAME: NONE

ENTER CONTAMINANT # I NAME:

The. name can be any character string up t,o 80 characters [Ollg. '['he {la, l]le IICC.(.Inot },e Illliqlle,

although it is so reconnnended. The defmllt na_le is a blank sl,ring.

1NI)A'I'A next begins prompting for specific cont, amitlant dat, a a.s follows:

ENTER INITIAL INVENTORY (DEFAULT=O. mol):

The initial inventory is the anlount of colll, alllinant contained in the ehi.ire source, l'egiolt -(,h_ t!lll.irl,repository ..... at, the beginlling of the problem, I1, should be a. real nnzlfl)er great, er than or equal tx:_(1. A_l

initial inw_ntory of 0 inol (the default) implies t,hal, the source is exl,erior to the nmsh, as iii the

example problem given in Sect, ion 2, or l,hat, *,his species is a daughter-producl, ill l,llis chain. 1[' a

cont, anfinant occurs in two chains, then ii, must, be entered twice in 1,he contamina.nl,.-l,,'operl, y t_lock,

and the initial invent, ory must be divided between the chains.

The default units, moles, are S.I; one mole ix Avogadro's number of nlolecules (6.02 x l()ea). :1'o

convert, om_ mole of a contaminant, to kilograms, take the product, of it,s lnolecular weight, an<l

0.001 g/kg. For example, one mole of U()2 is 0.270 kg .... 270 g (238g for :':_U, plus 32 g for 1_;()::) l,il_le.,.,

0.001 g/kg. lt is not, advised to use .ma.ss-conccllt, rat.ion units (e.g., kg/ln:_), because risingm_ss-col_centration units wit, h chains, t,he decay equatio.ns in TRANS ar_, ina.ccllrate.

ENTER, HALF-LIFE (DEFAULT=INFINITY) :

The half-lift. _, a,s mentioned abowe, is the time it, takes lhr one-half of a given cor_t,alllina.nt, l.o c]_al_.g¢'

into another subst, ance or isot,ope. llalf-lif_; usually only al)plies l,o radioactive isot.opes, I)llt. l,h_.TRANS nlodule of TOSPAC allows any cont, anfinant to have a hall'-lilie, tie careful, howew:_r, becaus,,

TRANS comput.es the amount, of contaminant, present at, any giwm tiln,' by an expolle_ltial.-deca.y

equation (Baten mn equat, ion), and thus k_r nonradioact, ive contalqinal_t.s, deca.y lllUSl, be oxpoIl(!llt,ia,]

for t,his calcula.t, ion to be accurat, e.

The default (the word INFINITY, in any combinat, iol_ of upt:n:rcase or lowercase charact,ers) i_plics

t,ha, t, t,he cont;aminant, remains immutable (does not, decay) fbr the l.in_e span of the problel_. For a.contaminant t,hat, does decay, t,he ha.If-life should be a real m_rnber sl,ricl, ly greal,er than O.

Note thai,, a,s currently programmed, 'I'OSPAC does uol allow t,wo nuclides in l,he sa._te chain 1,o haw,

the same ha, If-life. If two nuclides in (,he same chain are giw?n the san_e half,-lifi>, a._ error _lmssa.g,,,

result,s. The reason for this restriction is I,hat the algorithm used for solving l,he decay equations

involves dividing by the differences of the decay rates.

ENTER ACTIVITY (DEFAULT=O. Ci/mol):

ENTER RELEASE LIMIT (DEFAULT=O. Ci):

192 CIfAPTEt{. ,I. (;ENEl{AL I{Et,'I'_Ii.I,',NCI_

Activity only applies t,o a radioa, ctive conl, aminaIlt _md is defined irl l,erIlls of curies pcr lnole ot' t,heradionuclide. C,uries is not _m ,S'l unit.; t,he $1 units for ra.dioact, ivit.y is t,he becquerel (Bq), repr,._sent,!ng

one nucle_Lr tr_nsformat, iola per second. 'Ib convert Ci t,o Bq, multiply by 3.7 × 10 l° Bq/C,i. Ali

activity of 0 (the default) inq)lies that, the cor, tarninallt is not radioactive.

R.elease limit, is a quani, it,y defined by the EPA specifh:ally for ra.,,tio_Lct,ive-w_sl, e reposi/,ories. Therelez_se lin_it is preselll, ly a fiinction of the total alnouitt, of ltca.vy met, al iu the inventory of the

reposil, ory, tbllowilig 40 (:F}l_ 7191 (ISPA, 1985),

Activit, y a r_d release liitlit, are 77ot used it_ Lhc c_lculat, ional ntodulc 'I'RANS. l(at, her, t,hey are only

used by ()UTP I.,O'I? i.iJ consl,rucl;ion of the li3PA-rtd, io plot, (Section 4.6.5). 'lThere[bre, t,he user canselect the. default, values even tbr radioac.l, ive conl.atllinants and not at[ect, the accuracy :)f t,he result,s,

ENTER SOLUBILITY (DEFAULT=0. mol/m**3):

The solubility is the atrloultI, of cottt, alnin_ml, t,ltat, water can hold in solar, loll at colliplete sal.ur_d, ion _ti,l,lle probleltl t,elnl)eral,llre (renle:mber, 'I'OSPA(: otlly lw.rt'orllls isot, herltlal calcula, tions, _md tlius a

const_ml_ l)roblcm l,ettq,erat.ure is inq)lied), Solubilit,y should be a real tlut-nber greal.er than or equal i,o

0. If 0 (l, he default) is entered no t,ransl)ort, occurs, (TOSPA(: presellt, ly Ilatldlcs neittwr colloidl,ransport, nor t,WO-l)ha.se flow.)

ENTER DIFFUSION COEFF (DEFAULT=O. m**2/s):

The diff'u,don coelt'iciel,t is a scaling factor for i,Ilc ntolecular dift'usiotl ot" tr col_t,a_r_ill_u_I, tl_at sc,_,s a

cottcenl, ra.l,ion gr_,dieltt,, lt. n_usl, be _t re_d nuttd,t'r greater l,han or e(lu_!_lto 0. If 0 (l,h(: default) is

entered, no diffusion occurs (all, hou,g]_ hydrodynamic dispersion cat_ sl.iii occur; Secl, i__n ,1.2.14).

ENTER MATRIX D'ISTRIB COEFF FOR UN'fT # 1 (DEFAULT=0. m**3/mo'l):

ENTER FRACTURE DISTRIB COEFF FOR UNIT # I (DEFAULT=O, m):

ENTER MATRIX DISTRIB COEFF FOR UNIT # 2 (DEFAULT=O. m**3/mol):

ENTER FRACTURE DISTRIB COEFF FOR UNIT # 2 (DEFAULT=O. m):

ENTER MATRIX DISTRIB COEFF FOR UNIT # 3 (DEFAULT=O. m**3/mol):

ENTER FRACTURE DISTRIB COEFF FOR UNIT # 3 (DEFAULT=O. m):

TRANS uses t,he disl, ribut, ioi_ coell:Jcienl, to det.ertnine the ret, ardat, io_t of a coi_tarninat,l, during

l,ransporl, ( Vol'u'me 1 ). The amount of a ccmt, amin;._att _tdsorbed onto ¢__nal,erial is proporl, ional I.o ttte

concentration of thai, tnat, erial in the surrounding wat.er: the distribut, i<m coel[iciettl., is parl, of the

cortst, anl. of prol)orl.ionalit, y. In etfecl,. 1,he dist,ribul, ion coetticienl, tells how inu<'l_ conl, aarfinanl, adsorbs

on a give_t ma't, erial. For the fluid in t,he rtm.l,rix, t,he a<tsorbed alrlout_t, per ttilil, volunm is giw:n by theproduct of t,he I)ulk densit,y of l,he nrel, fix (fit,), I,he matrix distribution coctficiettI, (t<:_), and l.t_e

radicmuclide concmtt, ration in t,he _nat, rix wat,er (C,.,_) .......pt,A",_C,,,; for lot_e lluid in the fractures, lhe

_tdsorbed amount, per unit volume is givmt by the product, of the surface area of the fracture (rr:). the

fi'acture distribution coetficienl, (Ka), and the radionuclide con<;enl, rat, ion irt I,he fracture water

(Cf )........af K.Cf .

Two disl, ribut, ion coett"icients must be ent,ered for each. geologic unit _specitied in the. l,ranspor{,

geologic-unit, I,lock. Distribution eoetficimd, s must be real numbers great,_r tlt_u_ or equal to 0, 'l'he

4.'2. INPUT DATA ANl_) TIlE INPUT-[)RIVIi;R MODULt;_ (INDA'I_) 193

default value, 0, mearts that no cont,_minemt is adsorbed ......the conserw_tive case.

Figures 2.4 and 3.21 show TITANS input-data files conl, aining cont,_mdnall[..-l_I'operl,y I,locks. A l_orl, ionof the INDATA session tbr creat, ing l,he contalnil,a.nt,-t)rol)erty block showlJ in Figure :_.21 tbllows.

ENTER # OF CHAINS (DEFAULT=I): 5

ENTER # OF SPECIES FOR CHAIN # I (DEFAULT=I): ]

ENTER # OF SPECIES FOR CHAIN # 2 (DEFAULT=I): ,7

ENTER # OF SPECIES FOR CHAIN # 3 (DEFAULT=I): i

ENTER # OF SPECIES FOR CHAIN # 4 (DEFAULT=I): 1

ENTER # OF SPECIES FOR CHAIN # 5 (DEFAULT=I): !

ENTER # OF GEOLOGIC UNITS (DEFAULT=5): 5

CONTAMINANT # I CHAIN # I SPECIES # 1

CONTAMINANT # I DEFAULT NAME: NONE

ENTER CONTAMINANT # I NAME: U-238

ENTER INITIAL INVENTORY (DEFAULT=O. mol): 6,7]i'.7k9

ENTER HALF-LIFE (DEFAULT=INFINITY): 1,4_E.[Ts

ENTER ACTIVITY (DEFAULT=O. Ci/mol): ,_._3E--_Ci/k9ENTER RELEASE LIMIT (DEFAULT=O. Ci): 7000. Ci

ENTER SOLUBILITY (DEFAULT=O. mol/m**3): 5.0E--2 kg/m_*3

ENTER DIFFUSION COEFF (DEFAULT=O, m**2/s): {,E-9 m**2/s

ENTER MATRIX DISTRIB COEFF FOR UNIT # I (DEFAULT=O. m**3/kg): 5,,?/i'-371_**,i_k9

ENTER FRACTURE DISTRIB COEFF FOR UNIT # I (DEFAULT=O. m): O. m

ENTER MATRIX DISTRIB COEFF FOR UNIT # 2 (DEFAULT=O. m**3/kg): [,S/i'--,_m*_3/k9ENTER FRACTURE DISTRIB COEFF FOR UNIT # 2 (DEFAULT=O. m): O. _n

ENTER MATRIX DISTRIB COEFF FOR UNIT # 3 (DEFAULT=O. m**3/kg): I.SA'-371_3/_:9

ENTER FRACTURE DISTRIB COEFF FOR UNIT # 3 (DEFAULT=O. m): 0. _

ENTER MATRIX DISTRIB COEFF FOR UNIT # 4 (DEFAULT=O. m**3/kg): 5.3A'--3m**3/k9

ENTER FRACTURE DISTRIB COEFF FOR UNIT # 4 (DEFAULT=O. m): O. m

ENTER MATRIX DISTRIB COEFF FOR UNIT # 5 (DEFAULT=O. m**3/kg): !.,_I_'--3m**3/k9

CONTAMINANT # 2 CHAIN # 2 SPECIES # I

CONTAMINANT # 2 DEFAULT NAME: NONE

ENTER CONTAMINANT # 2 NAME: Pu-_40

ENTER INITAL INVENTORY (DEFAULT=O. mol): !..{F+5kg

ENTER HALF-LIFE (DEFAULT=INFINITY): _.08E.]! s

ENTER ACTIVITY (DEFAULT=O. Ci/mol): S,S6E'.? C_/k9ENTER RELEASE LIMIT (DEFAULT=O. Ci): 7000. Ci

ENTER SOLUBILITY (DEFAULT=O. mol/m**3): 4.3E--4 kg/m**$

ENTER DIFFUSION COEFF (DEFAULT=O. m**2/s): ].E-9 m*'_/s

ENTER MATRIX DISTRIB COEFF FOR UNIT # i (DEFAULT=O. m**3/kg): /..IE--!m_3/_'9

ENTER FRACTURE DISTRIB COEFF FOR UNIT # I (DEFAULT=O. m): O.m

ENTER MATRIX DISTRIB COEFF FOR UNIT # 2 (DEFAULT=O. m**3/kg): 6._!_'--_'_m_*3/k9

ENTER MATRIX DISTRIB COEFF FOR UNIT # 3 (DEFAULT=O. m**3/kg): b'._{/_'-'2m*_3/kg

ENTER FRACTURE DISTRIB COEFF FOR UNIT # 3 (DEFAULT=O. m): 0. m

ENTER MATRIX DISTRIB COEFF FOR UNIT # 4 (DEFAULT=O, m**3/kg): !._:-{ m*_3/k9

ENTER FRACTURE DISTRIB COEFF FOR UNIT # 4 (DEFAULT=O. m): O. _n

19,11 (:t:fAt"I'EI¢ ,_l. (;I';NICRAI, I¢.I';I,'I':I¢EN(.'E

ENTER MATRIX DISTRIB COEFF FOR UNIT # 5 (DEFAULT=O, m**3/kg): 5./iE---27.*!_/kgENTER FRACTURE DISTRIB COEFF FOR UNIT # 5 (DEFAULT=O. m): O, m

CONTAMINANT # 3 CHAIN # 2 SPECIES # 2

CONTAMINANT # 3 DEFAULT NAME: NONE

ENTER CONTAMINANT # i NAME: U-'235

ENTER INITAL INVENTORY (DEFAULT=O. mol): 2,/_E-_.5_:9

This exanll)le c.onsist.s or definitions Ibr live cont,_.m,ina.nt chains, ea('ll ('ont, a.ining a. sitlgl(:, st:,e,:'ie_;,

excel.)l, for the second chain which ('oi,l, ains thr(_(' specius. 'These, cont.aJnilmnt.s are beitLg usecl i_t a,

stratigraphy of five geologic unit, s, lwnce the tt:ql proxllt)ts (,:a.ch unit has a matrix and a t'rt, cl,ure

ma, l,erial) for the disl, ribul, ion (-oellicients. Nol,e l,lJ_zt,wit, h t,l,r nmlt, iplicatiw_ effect, of ('h_-fills, species,and unit, s, a cont, all_ilta.llt,-t)roperty block can end tJ.p being (ltlit, e ,dzeable. Also noU-.' l,hM

llmss-concent, r_t, ion units arc used in l,his (:xanll.)h:, in coral)lcre disregar(l of our previ,)us _tdvice.

4.2.17 Boundary-Condition Block (Transport)

The boundary-condition block in a transport, illl)Ut,-(lal, a file is used l,o drtine bound_u'y ('(:,l_ditions,

t,iules when boundary collditions can clmnge, and t,ilne, s when results are output, for grapllics. 'l_h(_t.ransport, boundary-condition blo(:k is sinlilar to the hydrology boundary-condition block, ;_nd the ,s('.ris advised l,o rea(t Sect, toll 4.2.10.

The t,ra,llsport bouIld_ry-condition blo(tk is organized according to l,inle snal.)shol, s , just, ,:ts the

hydrology t)oulldary-.condil, ion block is. At every tinre snapshot,, inl,errlm(tial,e results a,re wril, l,eil into

t,he "['I{A NS out pul,.-lisl, ing tile and the Tt{,ANS l)lol,-(l_l,a file.

The boundary-condit, iot_ block contains an entry specifying tl_e _un_l)er of time snal)s]lol,s I,()bf,defi_ted, t'ollow(_d by a t,i_nc-conversion llUlllber. 'l'h(:n, each t,i_m snnpshot, conl,;til,s a 1,J.lll(.valu,.'

acco_npani(,d by t,he t,oundary condition. The boundary col_dit, ion specified ai, a give_ tin., si_apshot

begins at; that time snapshot, and ends m, t,lm next ti_le snapshot,. 'rbe last, t,inw sllal.)shol sp_,(:ities theend time of t,he calculat, ion and does not require a boundary-condition (h'finitioI_. At, ,:wery tin.:

snapshot, t,he user is allowed t,o (:lta_lge boundary con(lit, ions.

Wil, hin l.he INI)ATA module, the prompl,s for da,l,a begin with the trallsport boundary-cotlditi()n blockin dent i tier:

'I'hc Iii'sf .INDATA l.)ro_q)t of the boul_dary-condition [)lock is for t.he nulnber of time sn.g)shot,s:

ENTER # OF TIME SNAPSHOTS (DEFAULT=I):

rrhe number of time snapshots must be a;, integer bel,ween 1 and 100, inclusive. 'l'l'w n_ore t,ii_e

snapshots that are defined, the bet, ter the resolut, ion iu t,he OUTPLOT computer gral)hics roul,ines,

especially the three-dimensional gral)hs , and the bett(,r t,he ;.d:,ilil,y of the user to m_derst, and the det, ails

of the ca,lculation. However, the more time snapshots, l,he bigger the output, files (Section 3.2 and

•I. 2. INP 1'T I).,_'I_.._.4 ._"I) T'tIE' L\'I' [ :T-_:,R:I _'f'R 3 I()D ( "I,.f: (I/VDA T'A ) ] (3ri

.q_.(,_icut 4.2. i 0/

A... w il h t'.)l,. t,olmd(._ry, c,,_i,tit i,,n '.blc._':kfor I)YN A)d IC'S in'l,Ut.-,.ta_,a til_:.s..1N't)ATA ilJ_.,_,,s lh, _ls.,:.r It.,

co nxr-rt /il'lw u_.li1,', I,, a rl,.,r_ ztl,I_rcq_.ria_v ,,,;ale:

TINE CO_VERSION MENU

0 NL?..CONVEPS!O}¢

NO CONVERSION (SF,,COI_DSASSUNED)

4 CO.WVERT YEAR'S TO SECONDS

,_ NO CONVERS]ON (YEARS A'SSU_ED)

6 CL_NVERT SECONDS TO YEARS

" C_NVE'F,THOURS 'TO YEARS

S 2C._VERT DAYS TO YEARS

E_'TER CHOICE (DEFAULT=I):

: ,.: .:.:_r:,.:..-::.i',_ _,,-,',,i.'.,:,mk !'h,." l',u.lllt,,,r _:,!7t,,',r;';._:_r> ,:,,I_,'1_(ion,,, a_ :_n> ._;_ ,:;:.','i::.. :I:;_;,:1_, :.I ,t,"[.,,:._,,J: , ,1_",, f :'. _'.".:. Y 5.; "._i_?,t]ii!'_':_D!"

li'FlY, * 2F C_.)[T_,MIYANTS (DEF "'_'-

. ,..... ._ ............ _.

1:_7i..:.-'w_ "_rr_.U'..T:3s' '

, [ ,.:qi..¢_., r ilt+_ ,',;;:)":" 7 i_,,l'_i '.', ,_iI' h,_

........... ... :. : ...... , ;,: '.,,,: . _,; ,., .::_ _.r."',;:,!.2_. ',_i_;',[;!,:_,.._. ", ?.,L:'._.',;ii,?C ',.', !.'_*,,

"" " ' _"_ r _, : " _"; ,_ "'_:: i', i -,_'_ l\D.,k'IA .... .;:::., '_.:"r:;;',i':,_ '"r ';,_,..'" '_"i"r '" LI ...... .,/.. " [ " " '.:ul

_.1.51_'1.K"!'-.22__.:"_:1...,. FL.AG_,.ARE 2 ,,"""IT_._ ( I.$1WEE/U._PE_)

_, ;...,t..:.,.,,,.-$:_,,'IE]TEATa._-'.,EA_..Elt_ _,'3UI_.'A.E'f

.',,_-,._._,,..,,.3N F'LAi_, ¢_E:F,lt'.JLT"',.

. • ....... , _ i_i,_ Il _: +_"_' J:,Z!_ '._':_i" _ _:"._' .... _ i;._I.2 ':_,_,. ._'

FLag Digi_i=u ;.._,. ';r_",:::,,....i_. _":,"..... ',': .in.i:_.'. :::r.,_'_:r_ ............ - .,.,:,., ,i.[1 7':.........

19¢i ('.ft A f J r.I"El¢ t. ¢i:I:'.?NEl¢ A I. 1¢t'31"I:,'f_/")N( 't"'..

SECOND DIGITUPPEF_ BOUNOARY FLAG

0 '1 2 3

O0 01 (_'2 0,3

0 P RtEVlOU'S t,O'WER P'RE'¢I,OU_ L'OWER Pr_,EVI,L3U,_ LOWEk'I F_R:EYI,OUSLOWER I_OT At.LO, WEDFOR _i_ TIIMIE

PRtEVI,OtJ_SU'P,P'ER G(,',_N,CEHTRAITON FLUX U_PPER _ER, O.¢.liR,A_,E:NT II,NA,IZ_HOTUPPER U,PP_ER

10 11 12 13_1_ CONCENTRATION CO'N,C.'_EH T R.AT_O.N C'(_I,_IC.EHT RA TI,OH CONCE.N T RA'_,ON

1 LOWER LO'WER LOWER LOWER

_ P'RtEY_IJ_S UPP'E:R CO,H,CEN'rR, AT,_ON FLUX U|.'_IP,ERr Z=ERG-,G,RADI,EN1"• 1_ UP'PER UPPER

(xrr. tr',

='_ 2 FLUX LOWER FLUX LOWER FLUX LOWER FLUI LOWER

O PREVI,OUrS U P'PER CO_C ENT'R,AI'IO,N FL UX UP'P'ER Z ERGO,G R,ADIEN T=d U:P_ER U:PP'E.R

3,0 31 32 33

Z E_O,,G,RA DI!E_IT ZER_O.,G,RADIE.HT ZER,O-G RA _',_1EH T Z E,|:I'(_OiR,ADIEN "1'LOWE R LGW ER LOW ER LOW ER

_R_E_I,OU'S UP'PER COH_CENTR,AT1,ON _'_LUXU_PP'E,R ZER,O-GiR,AD_EI_TU,P'PER ! UP P'ER

....... -.-.3, ....

_ _,,_.,.....__ _H_OTA,L,LGW'E,DFOR R'R_T TIII_E

$,NAP_3_H'OT

l: ita,_tr,, 4.1.1' l:k, tt_,lar>'-,:'o_=tlit i, ,tr flag.,, f'c,:r'IH %.N'S.

'[)ur'illg t li._,l,,_ri¢ t I_,¢_t',,,e",_rl,;,,I,' titt=e ,',,l_at,.sl_:::,tarid :._ll,/ll,.r'; ,:_//',:"_,,i._'la_z'_l..a'l.s .tt=_/Iliar, lk_, ._attt,_

b.oun da'_'y-¢o_ d;t_ou {!/l_t. l::c,r ir_st arl,:',_',SUl.:,po.,+,,_I,(mlld ary'.-cc t_,.Jitic I_ tla.g ':l is Sl_,.',"ilied : , ;_ctlc,-_l=_t;;.tlt_itJ;tl,_t,:'ali ha',', '_ ,.Jifl_..r,._,_=tcoric,_,r_trat ic,i_ val _,s _at t.ltt.,t,_;,u_,,lar'i,,s. I_t_t t.l=,_,I,, l_=,.I..:try,:'_:,_l_lt_.i,_==..,,

,,,,'ill c,nly .t_e,,cc,_c,-,r_trat ior=..,:,t,'lil_ed t,c u;idaries.

For the tir:,.,t .tirade _r_;,t=,sttc,t.. the ,.J,,t'ault v.'.._lu,,,f'¢:_rthe I,,:,,ul=,_lary-,:'¢.,_,li_,ic_i:_tag, i_ 12:. i., tl_e, lt,v,'er

.1.2. INPI:,I' I)A'I'A A NI) 'FILE INPtrT-I)RIVt';I¢ _lC)l)! _LF, (INDA'IA) 1!17

bo_lnd:,lry i,+d_'fined with +i concentrat,ion ;._nd rb(. ul,l',cr bout|,.iary i_ :++qitl,'d witt_ a u,,nc,.,tlll'_l i<,_t tlux.

After <.lie tirsl lime ,..+ll_._l,sho/,the <:h.,f'atllt valut, fl:,r t.ll¢' b+)tlil_lary.-<ouditi<:)|l tl:_g is ulJ_tllg,,d t_:)(.)(): i:..,

I]IC' S_.tllle [m_l+tl|dl-.lrycondition as pr_:viot_sly sp(,cili(-.d,

A conc(!,lttratiotj-dei:itl_:d bout:ldary (flag 1) t,,usI Ii<.a. ilurtll(:_ati+,,e r,'aI lliilti})t'i".

A boutidary detin('d I,y coIl,t:tqltratioil Ill.ix (tla._ 2)is a real lluliJl)cr ('<.)rr(,st..,.mding to ;_ llllx (,I'

co_ltt._lrlinat+_t, across +_I,ouudary. A t_-gatb,',' \'al<it. it_i;I)li,+,:.__ do',,,'ltvvarct tl_tx: I.l+_(,r,q'or,,, a l_('+4:_.tlix','llux ;it

lh<'+ ttl)t,(+r boundary v_lcaiis l.llat. ('(:-)llta.liiiI_ailt is (,Iitt,;"illg tit(:: C(.)[UlIllI }:ii.li)(' It:q>: a t_*'l_ttix',' .IIt_X;+.i (1_('lower l+out_dary tr_(:+a)_,,(flat. ('Olltdlllil'iilllt. iS I('_'LI",'ilJ[+; t)I'' c,:.:)lut)itl +lt rf,<+ I)<,_t<.,I+_. I1_,' +'+;i_+_+,d' tj+('

cOil<<+lit.;+.'iiiorl-tltlx va] _1(,++.lr<'cc:,l+sj,',,t('l+twit I) rh,., ,_+r_)ull_tv+';llt,r-.tltix.,,+iglls(,E(,,'ti(_)t_ ,1.2. l())

ih.'causv (:.<)Itc,'tltrali¢,t_--llux b(.)lll)¢'{_It'iCS ('all 1)(' <I('ll)i(.".ia.+,+tt_imtllltlX()I" all <:<+tilt+X,ii' +'tl)t'i)IIIux i"

,+._.l)('c.ilit+(], ('iii'( ;' ,_+Ir(' til<ii!. I)(' i. dkelI 't(.+ a,S,";tll?<' <flat tJ_+,:rcis (.itoti_h (.'Ollt;.tlltillbtllt il| []},' lll(',';II I(., .'-ul)l)_)rt ;<ltC)III flux. "I I_,' ,'+.itu_.iti,,,_l is _itta]ogou.,, (<J+Ill (+ut flux l)<,ut,_+lary for +t v,,+.it('r-l](,v, i;r(:,l)I,'ti_ t,_,.,')i,,)t .l ._. It));

}lOW("+,'t,r+Jt' <lt,' otJti)tlx i..,;(:xc(,,,-,+iv(,, 'I-ItA. N5 +,r+,,iu):',,.,.+)_'_+_tiv,, c,.t_','t_I r;,ui+,its. Ntu, itr i\',' (.+t)tl+.',,t+tr;tt i_.,ll."._.art: tt_)tll',l)ysica[.

Vr_tt.,ril;g tlt, +l)ci.+t_d_.tt'+'v,."(mditioll a.s a flu× is :t_),.),,.,ttJ.+:t.[_t+Iit_ II|t, ca.,,.+(,wll('t',, t]_,, t'(.,l,<),,.,iI<',l',,' i.,-+<,t_ Iii( +

:l,_)un<i+iry (iii( + .'++our<,.,I'c#,iolt is ottt++ide til,, ])+.)llll(]+Iry), ;Itl(J til Ill<+C+'_..",.<+ v,'l+<'r,' +.tI_itttl)<,rI+i,.+tl)l(, ,.,r,,++'ti_i-l,"rl)i<'al)J+: lmrri,,r tc:);.t cc>ittalllil).:il)( is oli tl_ ;+l,(+_Jll<I+.ir+','(r,.g., ill l)._t.),i<.]+ll.+.,.,+t l+tl,(,t'_it_,r",'

t'xl)('rilll('llt ).

A t)o|t)_dtlry dctiti,,,I t)+v+._z,'r()cot_,'t,_trati<,_t gra([i(,i: (flag :{) r('<t_+ir,'.'+t_o ;l,.t_t,iti(:)Vt;tliltl)tJl J'I'()l_ Ill('

u,-.er: tilt., value is ;.t.+,-,stllti,+<.Itc)l-i(+ (}. ('<)ilil)tllati(:.)tlaI+,l'v, with tl;/s I>otiri,J+.).l'y,_'++II¢]/ti,_)Ii(+)<,('<,i+<'<,i)tr','tlJ<,t_

at+ tire })ottti(i,_ity ii,<+i.I,tl+]',.'s<,t cqtl,:),} t_> t})(' ('OIIC('IOti"+).li(')ll ;_t t}),' iir,,+,t Iii(.,,.,).l_'(']] ill l_r(.,ll)ii,(. [)(J)l_t<[;iry.

,,\ zt,r<>-<',:)lic(,vltratit)li-+radit_u( l)ot.ttld;try ,.'Ol)diti._,It is u,,<,,l',_Jf'_,r Ivlo<.h.litl+,,(Ii<. situ;iii, ii)ill v,'{+i,:l_+t{_<'Colltalil+llaltt i,'-,qui<.'kly s',,<('l)t away otllsi(.]< + til<,l)outltlary. It) +,:.t£cl_+l sittl_:).tit)ll, _+tZt,l"c)..,',)li<'+,t)tlal i_,)i

i)ou_:idary c<.+li(liti<))l<'_..)tII,.Ial+,o St, us,(:l l,ut, ii+'t l:(+<'C>liCCIltf'ati(+llis <.Xl+,('++'((',:It++_,_, fr,:+<:+s<:,ti+<+l"'si+iv-

v;iltt,:+ t() /,'r(., io ;i ','(,Pi' +,.,_+_ailr(,,_JOll li<ai tll_? I)t)IIDt],+II+'V, till' '].(,)'++-c()))c(,I:r;:tti..,yt-+u,r+,,.ii,,_tl,,,ui_<l:ir.'<

,.'cmditi(m Ii'ii,II 1+)¢+ ll,_q','.] It)+_)VC)i(] l+_i,,'it_, t<>,llI<)([<'] II'lc + ])()lllld;"++'_' laV(if ` W]I('D' Ct illCt'lltl'._;lli()ll iS r;tl,J_lly

var','it_+..Al_o. II)Is l+oUli<iary (:<..)ti<iit.iolicai_ Ii,, ll.'-,,'¢]ii' dii[,i.',ioIt _)_d ,IiSl>¢"r..>.J,)I)il;:,+(, l),)tll t),,')t .,-<t.lt<,

z¢,ru, v.,,h,:,.rc+i+s,irl ,,..,ucJta <.'_i.s(,,>.),c<.)ttct+,rt+_r_+.tiotlor II)ix ))()t))+<I_+_ryco)t,.litio)+ i_l_t,_l,r()(liI,:',, _+,li+.,,.',,+ttit<<+ii\'.

(',_.l).iSilig, rh( +a.tli(:)tIllt t:)f' ('c)Ilt,_i,_.linbilit Ili;)++ss cr(..,P>silig til+,:, I.)()Ulld;,,r,'v t(, I)(,' t':-,tJlii_.',I,,<I iti('t)rr,,("tl,v.

'I"h(' IN I)A'I'A pro)l)l)_;+ f<)r I)ouii,:lary-cc.vi_diliolt li+-t_._}.2(t Iu<'l llitJt.),I (.h+l';+.ult) l'<.,ll(:,','+t'r(,t)+ l'I _+{'(.,r t Ii,.

<,',tll,,+rl><)ul),.I;+.ry-corl,liti¢)_ tyl),,.+.,art' +-,i_til+_t',,,:,:c_,pt (,l_:-).tr)l<: lifO)iii.its art> _,i,,',:)) f,,r

z("r¢)-¢<,I_C.<"ittrat io)+-+._,I'_._di(,t_t.))t_,tt)t,.+ary cot_dit i_,)++.

E/CI'ER CO)dTAI'.,II+A)+T# 1

LO_)E,E-BOUND_EYHATRIX CP}_C (DEFAULT=O. tool/m**3):E_TEK COI_TAMINA)_T# 1

LO_tER-BOU)_DA_YFRACTUEE CONC (DEFAULT=O. tool/m**3):

EI_TER CONTAMI)_A)_T#

UPPER-BOUI_DARY _{ATRIX CO,C-FLUX (DEFAULT=O. mol/m**2,/s):

E)JTEE CO_TAMI)_AI_T# I

UPPER-BOU_DA_Y FRACTUEE CO)_C-.FLUY,(DEFAULT=O. mol/m+*2/s):

'['h(! d,:'fa_It v;._Itt+,:sfor b<::)ux_,l_+,ry-co_(.litiol) ll+._g12 Sl)_",:if'.v_. ,:'o_c,.t_(r_+.ti).>i_flux (,f/,(:ro +,_ t l_,, t,)l, ,if (I),co[ulnn _.),,l_,.Ia, (:'orlc(,;ttr,+itiorj of z,,rc, _),tt[),c }><:,tto))'i. '[his sittJ;_ti<,))e<>rr,.,.,t,<:)_,:L,+t,> ))(, ,'_))t:iij)i));_))I

198 (!tlAPT'Et¢ 1. (;b_,i\'El_,lI. Rt',:I,'H_t,:N('I';

entering or leaving the top boundary: but. whatever coutatl_inant, reaclws t l_c,bottom I>(.,uJL(l;.LryI_'_t.v<'s,

keeping the concentrat.ic, n equal to zero al the t_,mndar_'.

An exauJph _of an INI)ATA se,ssic,, for ('r_mtil_g ;_ b,.ul.leuy <:(mdi(,i(,Jl bl,,,'k wit t! .-:,,v,,'ral !_il,., sll:Ll,Stlot,_

follows, 011(" contalninant chain is a.ssulne,.t tc, t,(, s'pecifi('d it: the C(,llt.'-xIlli_lant l,r:.,t; 'rl_. !,1_.,,'1¢ lh,,

chain consists of t,wc, spe,:ies.

ENTER # OF TIME SNAPSHOTS (DEFAULT=I): Jl

O. NO CONVERSION

1 NO CONVERSION (SECONDS ASSUMED)

3 CONVENT DAYS TO SECONDS

5 NO CONVERSION (YEARS ,SSUMED)

ENTER CHOICE (DEFAULT=!): .{

ENTER # OF CONTAMINANTS (DEFAULT=2): '2

SNAPSHOT # i

ENTER TIME (DEFAULT=O. yr): 0 yT'

BOUNDARY-CONDITION FLAGS ARE 2 DIGITS (LOWER/UPPLR):

I. CONCENTRATION BOUNDARY

2. CONCENTRATION-FLUX BOUNDARY

3. ZERO-CONCENTRATION-GRADIENT BOUNDARY

ENTER BOUNDARY-CONDITION FLAG (DEFAULT=f2): li

LOWER-BOUNDARY MATRIX CONC (DEFAULT=O. tool/m**3): O, mol/'nt_*']ENTER CONTAMINANT # I

LOWER-BOUNDARY FRACTURE CONC (DEFAULT=O, tool/m**3): 3 'mol/'m*_',jENTER CONTAMINANT # I

UPPER-BOUNDARY MATRIX CONC (DEFAULT=O. mol/m**3): !0. mol/,_*_3ENTER CONTAMINANT # 1

UPPER-BOUNDARY FRACTURE CONC (DEFAULT=O. tool/m**3): lO0. 'inol/'Tn**.'_ENTER CONTAMINANT # 2

LOWER-BOUNDARY MATRIX CONC (DEFAULT=O. mol/m**3):

LOWER-BOUNDARY FRACTURE CONC (DEFAULT=O. mol/m**3):

UPPER-BOUNDARY MATRIX CONC (DEFAULT=O. mol/m**3):

ENTER CONTAMINANT # 2i

;, UPPER-BOUNDARY FRACTURE CONC (DEFAULT=O. mol/m**3):

!SNAPSHOT # 2

i ENTER TIME (DEFAULT=O, yr): I, yr=_

,:t.2. INPUT DA]'A ANl) TIlE INP[!'l'-l)l_l'_'l_;l_ M()I)I]LI,? (INI)A'I_) 19.9

ENTER BOUNDARY-CONDITION FLAG (DEFAULT=O0): /j

LOWER-BOUNDARY MATRIX CONC (DEFAULT=O. mol/m**3): $0, mol/;1_**3ENTER CONTAMINANT # 1

LOWER-BOUNDARY FRACTURE CONC (DEFAULT=O, mol/m**3): _0, mol/_1_**3ENTER CONTAMINANT # 1

UPPER-BOUNDARY MATRIX CONC-FLUX (DEFAULT=O. mol/m**2/s): I,mol/m**'2/sENTER CONTAMINANT # I

_/4 .UPPER-BOUNDARY FRACTURE CONC'-FLUX (DEFAULT:O. mol/m**2/s): I. mol/m* _/,_

LOWER-BOUNDARY MATRIX CONC (DEFAULT=O. mol/m**3):ENTER CONTAMINANT # 2

LOWER-BOUNDARY FRACTURE CONC (DEFAULT=O. mol/m**3):

UPPER-BOUNDARY MATRIX CONC-FLUX (DEFAULT=O, mol/m**2/s):

UPPER-BOUNDARY FRACTURE CONC-FLUX (DEFAULT=O, mol/m**2/s):

SNAPSHOT _ 3

ENTER TIME (DEFAULT=2. yr): I_],yr

ENTER BOUNDARY-CONDITION FLAG (DEFAULT=O0): /3ENTER CONTAMINANT # i

LOWER-BOUNDARY MATRIX CONC (DEFAULT=O, tool/m**3)" i'_).mo///_l_*_",,ENTER CONTAMINANT # I

LOWER-BOUNDARY FRACTURE CONC (DEFAULT=O mol/m**3): _I],mENTER CONTAMINANT # 2

LOWER-BOUNDARY MATRIX CONC (DEFAULT:O, mol/m**3):

LOWER-BOUNDARY FRACTURE CONC (DEFAULT:O. tool/m**3):SNAPSHOT # 4

ENTF.? TiME (DEFAULT=20. yr): l[)U. i/r

ENTER BOUNDARY-CONDITION FLAG (DEFAULT=O0): ,.'l

I,OWER-.BOUNDARYMATRIX CONC-FLUX (DEFAULT=O. mol/m**2/s): (]._l_ol/m*_.t'/.wENTER CONTAMINANT # I

LOWER-BOUNDARY FRACTURE CONC-FLUX (DEFAULT=O. mol/m**2/s): J, :mol/'m**:2/,_'ENTER CONTAMINANT # I

UPPER--BOUNDARY MATRIX CONC (DEFAULT=O. mol/m**3): lO, mol/in*#,]ENTER CONTAMINANT # I

UPPER-BOUNDARY FRACTURE CONC (DEFAULT=O. mol/m**3): 10_7. mol/m_:_,',_ENTER CONTAMINANT # 2

LOWER-BOUNDARY MATRIX CONC-FLUX (DEFAULT=O, mol/m**2/s):

LOWER-BOUNDARY FRACTURE CONC-FLUX (DEFAULT=O. mol/m**2/s):

UPPER-BOUNDARY MATRIX CONC (DEFAULT=O. mol/m**3):

ENTER CONTAMTNANT # 2

UPPER-BOUNDARY FRACTURE CONC (DEFAULT=O, mol/m**3):

SNAPSHOT # 5

ENTER TIME (DEFAULT=200. yr): 7_00. yr

200 (.:IIA I)'I'E t{ ,1, CENERA I. I{Eti'I'.:i{.ENCE

ENTER BOUNDARY-CONDITION FLAG (DEFAULT=O0): 2'2ENTER CONTAMINANT # 1

LOWER-BOUNDARY MATRIX CONC-FLUX (DEFAUI.T=O. mol/m**2/s): O, mol/m**2/sENTER CONTAMINANT # I

LOWER-BOUNDARY FRACTURE CONC-FLUX (DEFAULT=O. mol/m**2/s): 3.mol/m**2/._ENTER CONTAMINANT # 1

UPPER-BOUNDARY MATRIX CONC-FLUX (DEFAULT=O. mol/m**2/s): I.mol/m**2//,_ENTER CONTAMINANT # i

UPPER-BOUNDARY FRACTURE CONC-FLUX (DEFAULT=O. mol/m**2/s): I.mo//m**2/._ENTER CONTAMINANT # 2

LOWER-BOUNDARY MATRIX CONC-FLUX (DEFAULT=O. mol/m**2/s):ENTER CONTAMINANT # 2

LOWER-BOUNDARY FRACTURE CONC-FLUX (DEFAULT=O. mol/m**2/s}:

UPPER-BOUNDARY MATRIX CONC-FLUX (DEFAULT=O. mol/m**2/s):ENTER CONTAMINANT # 2

UPPER-BOUNDARY FRACTURE CONC-FLUX (DEFAULT=O. mol/m**2/s):

SNAPSHOT # 6

ENTER TIME (DEFAULT=2000. yr): I0000. !lr

ENTER BOUNDARY-CONDITION FLAG (DEFAULT=O0)" 23ENTER CONTAMINANT # I

LOWER-BOUNDARY MATRIX CONC-FLUX (DEFAULT=O. mol/m**2/s): O.mol/m**'_/_,_,,ENTER CONTAMINANT # 1

LOWER-BOUNDARY FRACTURE CONC-FLUX (DEFAIJLT=O. mol/m**2/s): 3. m_Jl/m*_":?/,_ENTER CONTAMINANT # 2

LOWER-BOUNDARY MATRIX CONC-FLUX (DEFAULT-O. mol/m**2/s):

LOWER-BOUNDARY FRACTURE CONC-FLUX (DEFAULT=O. mol/m**2/s):

SNAPSHOT # 7

ENTER TIME (DEFAULT= 20000. yr): l,tJ.5 yrENTER BOUNDARY-CONDITION FLAG (DEFAULT=O0): Jt

UPPER-BOUNDARY MATRIX CONC (DEFAULT=O. tool/m**3): 10. mol/m_*,'/ENTER CONTAMINANT # I

UPPER-BOUNDARY FRACTURE CONC (DEFAULT=O. mol/m**3): [00.71_ol/m**,']ENTER CONTAMINANT # 2

UPPER-BOUNDARY MATRIX CONC (DEFAULT=O. tool/m**3):

UPPER-BOUNDARY FRACTURE CONC (DEFAULT=O. mol/m**3):

SNAPSHOT # 8

ENTER TIME (DEFAUI,T=200000. yr): '2.E+5 yrENTER BOUNDARY--CONDITION FLAG (DEFAULT=O0): 32

UPPER-BOUNDARY MATRIX CONC--FLUX (DEFAULT=O. mol/m**2/s): 7.mol/m_*2/,_ENTER. CONTAMINANT # 1

*0 •UPPER-BOUNDARY FRACTURE CONC-FLUX (DEFAULT=O. mol/m**2/s): I. tool/m* ../_

UPPER-BOUNDARY MATRIX CONC-FLUX (DEFAULT-O. mol/m**2/s):

,1.2. INPI;T DATA AND TtIE 1NI)U'ILI)I_IVI,_,t_ M()l)lfl, I,; (INI,)AI'A) _(}1

UPPER-BOUNDARY FRACTURE CONC-FLUX (DEFAULT=O, mol/m**2/s):

SNAPSHOT # 9

ENTER TIME (DEFAULT=400000, yr): ,).I'_'.,')yr

ENTER BOUNDARY-CONDITION FLAG (DEFAULT=O0): ,']/_

SNAPSHOT # I0

ENTER TIME (DEFAULT=600000, yr): ,_.H+:7!lr

ENTER BOUNDARY-CONDITIO_ FLAG (DEFAULT=O0): 00

SNAPSHOT # ii

ENTER TIME (DEFAULT=800000, yr): ,5.H.,5 y1'

'I'his _'×a,nll,l," sl.:.)v,,,s u rc(it._t, fbr II i.,iri.' ,_z,ul_hot,_, (l<_l]zlitlg t.,ho I'<,Jl,.,;,,'ilJ._cal('_lati()i,, Not, icr tlt;.,l ,,v_,

li_:_,,',_a:._kod 'l'()Sl'/,,f.', I<:,('o,_v,,_rt, _.,I.,,_._rl..l..l_.)t,t,iIl.,s l'r<,lll y(,a, rs I,o s(,rotl(Is so t,l_.t, v,'(, <'(,tJld cJlt,,'r t,l_.,,tillP,!', ill y_:.'aTS,

I) 'l"h(_ first, _i,a.p_hcJt, _(,_in_ al, tin**<.() =I'I.., i__it,ial ('c,l.iitiol, Vor _I._ r,x'ol)l,.._ ,,vili I., ol_t,l)_,t ;_t, l,l_i_

t,i_.' _o t,l-." out, f)_t,,-listing tih_ _..(1 ii.' l)lot,-d_t,a, tiI(_,. 'l'h(, l)Wl',101_ ,'slart,_ _,,,i_,l_h(,_._l(I;.'y..,.',:)ll,lit, i(,l_t,yt)(' ll: bot, t_ lova.r ;._(J .t)t)(,r I)o_dari(._ (1(2ii_(:,(tI:)y ('o,,('(,l_t,r;_.tio_, A.'._sl,('('itir(I, l't,r t,l., tirs_

lllO[/lll 3 ('OIl('(_ll(,l'a[iOll iii rho ['ra,ct,ur(,,s. 'FIL(' (ll)l,('rnl(),_t, l,l(',uh [._il]t i_ a,,'-;sigIlc(.ta ('()zic(,zll,ra/,i(,zl

\'a,lL_(:,of 10 n_ol/ll_ a i.. tt,o ll_a,l,rix a._(t 10() _,..)l/l_ :'_i_ t,l_c t"r_.(,tur(_. '1"t., (,t,tl_'r ('ol_ia_il_;_xii, is

_-_ssigl,('(t 1[,110dcf_._ul__,,.'_du('s: z_._ro('ol_('(:_xlt,ra,l,i(.)_ a.I,h()t.h t)o._,(l_ri(,_. N()lr ltlal, t,ll,,_,,

('o_r(:,zll,ra.(,io_l valurs az'(.,x_.d_t, aiz._(t al, I,h(' I:)(,u_(lari(,s ll_rou_t_o.t, t,ll(, i,i_.'st,_'l). It' tl.. al,._ll_l, of

('ont, alni_a._ll, c(),(_ink_;('rc,_n lh(_ il_(,rri,.)r oi l,t., _l_,sl_ is I,oo lil,l,h, l,o ra.s,., t,l_is ('o_v(,l_l,rai, i()n,

coz_t,a_ziz_azztis sz._l)t)]i(.d l'rozz_out,sid(, tilt iz.,.stl. II" l,hc a_lrnu_L ot' ('(,nta.r_i_a.,z_l,c,ol_ ,_,[r(.:,z_._1,1_('int,crior of t,h(, r,.,sh is xnor(:' l,l_a,_ i,l.."sc va.lu(.,s,('(:,nl,._,_izla.l_t,is ro_(,v(,(l l'r(:._ tt_(, l_l_'st_, 'll.,sc

I)otlr_dary (,o_dil, i(,i_s arC..to bo iii cit'ect, _._til t,t'.(' _(_x_,t,i_,.' s_al)sh(:.,t.

2) '1't.. s_:,('()_(l sx_at)sl_()t (..'curs al, 1 yr. Not, i,:'c t,ha,l t,h(, 4,:_fa.(lll,Ill,lc i,,,.,11yr, ',.vt_i('l_i_ _,wic(, lhc

i_ux_,(,diat,(:,ly l:)r(,,:odi.g l,i_.o. 'rt., t)(.).l_dary co_,.titio_l is _(.)w ('hal_g(_.dl,o iryp_.' 12: r(,l_rcl_l,ra.l,i()_l

h)v..,rr t:)ou_d_:_ry a_(l con(:(_nt, r;.t,l,ion-ttu× ut:,p0r I)(.x.da.ry. For 11., tir:,;I, c(:)_tal_illa_l, t,l_, I,.,w(,r

I)o_a,_(lary ro_dil,i(._ is sl)(;rii'_:,d _-_,s120 1,_ol/_1_:_(:o,lrcl_tr_tio. iii I),.)tll {,t." _,.'._t,rix ;tlld ['l'a('l,_lro.s; I,[1('

U[)l)(_r t',()tlnda, ry col_,tit, ion is Sl)c('ili(,d a,s ;t_ oul,flux of 1 _llol/_/s. Not(, I liar, t,l_t. ,)ul,[lux

}:)ota_l(tary rondit, ioI_ o__ly rl_akos ,_,_.s('ii' t_l.,rc is sutti('i('r_l co.t;t._il};_l, i_ I,l_.I, i)url ,.)f i,11("n._t_.

Agai_, t,hr COlll,alllillalllS iii (']lain l_.l_l)t,i' 2 arc assigl.,(t t,h(_ d,.,['ault vulu(.s.

3) 'l'h(' I,l_ird Slla.l,sh()I. i._ i,o occur al I()yr. 'I'l. _ t)Ollll([ary-coll(tii iOll l.y[)(, is 13: ('()llCt'lll.rali(,ll I()wcr

l)ound_ry arid z,,r(.)-c.(.)i)r(,))tra.l,io.-gra(_li(,)_(, .l)p(.r })(.!ll(lary. 'l'h(' ]..),,vor l:,o_)_(lar?,' is ,_l,(.(:iti(!,(Ias :21)

_(:)l('s/_ ;_ ii_ the I_atdx a._d l,l_c ['rarlur('s, '[']_(-'c(mla,)l_ix_a.nI,s i_] (.'t,;).i. l_umt:.,r :2 ;.'(, ;:_,.'..;si_l.,(l_1_(.

,:tcfa_._lt,\'a.l_.'s. rl-_(. ut)l)(.r t)o(_.t;_ry is .oi Cxl>licit, ly _ssigr...,.t :_I_y val.('s I,(',.'_.us(" (,1_(:'

z('ro-cor,,('(.lrirat,io_l..-gra(ti(_i_t, (:o_ditiox_ a t_t()_;).l, ic_dly assig_,s a value ()I' (.)1,(, tlm first ,'_t)_ti;',l(lori',,aciv('.

,t) 'I"he l"ourl,h sr_a,pshot, is t,o occ.r at l()()yr, lk:,ul_(l_..'y-co_(tit,io_ ttag 21, ('o_('cl_irali,:,l,-!t.x l(.,v.,'(,r

a_(t (,o_lc(mtr_t.io_ .t)p(_r t)oun(iary, is r(.'(tu('st(:',.t Til(, Io'_','(_rt)oul_dary is Sl,[..ci/icd _.s a_ illtl.x ()[ ()

mol/l_tg/s for t,lm t_.-_t,rix, a,nd Jill i_flux of 3 _ol/_t_'z/s for (,h(:, fra('tur ,s, 'l'ho Ul)l.,("r t:,()u_,.tary i:-,

a,ssiglmd a, concel_l,rai, iox_ of 10 nlol/cn :_ tbr the ll_al,rix az_(l 10()_ziol/_'zF _ for t}.., fi'act_r(,s, ()itr,.

_nore, t,l_e conl, a.,_i_a_is in cllaix_ w.J_nl.:.r 2 arc, a,ssig_.,d t,h(., d('f'ault valu¢,._.

202 C'HAPTEI_ ,1. (;ENEt_AL REH_I_ENCt_

5) The fifth snapshot is to occur al, 1000 yr. The boundary-condit, ion type is 22: c,)tlconl,rat,ioIl-tluxlower and upper bounda.ries. The lower t)oundary is spectfled the ,_anle as in t,tle fourtlt snat_shof

(we could have entered a 0 digil, h)r t.he lower boundary-condition type). 'I'1,._ tirst, cotll.a111ilhanl,isassigned a conce_lt,ration outflux of 1 mol/InU/s for timeirlat,rix and t,he fractur(,s al, l.}mIIl)l._*"rboundary. The second contanlinant, is assigned the defaull, vall_es.

6) The sixth snapshot is to occur ai, 10,000 yr. '.I'he boumtary-cotldit.ioii l,yp,, it.;23:concentration-flux lower boundary and zcro-conc.entral, ion-gradient uI;per bolllldar','. I"or tile til'stcotlt,aminant, the lower boun,tary is assigned a cono. iitration-itlIlux of 0 tlJol/lll"e'/s f,._rt,ll_. nmr,fixa.nd 3 mol/n(-'/s for the fractllres. The second contaminant is assigned t,tle dei'allll, ;'alm_ ()t"

0 mol/m2/s. Note that. zt,ro tlux inlpli(:..san iltlpertneable barrier, Again, l,[l(:,zero-concentratiol>gradient boundary requires no additional input, ['rotll the user.

7) Tlm seventh snapshot is to occur at 100,000 yr. The I_(.)undary..c,)J_ttit.ic,l_ lyp_, is :_1:zero-concenLral, iol,-gradient lower b(m_(lary and conc(,nt.ratiolt Ul;t,,'r t,(,_t_dary. 'l't_t_ l(:,w(.rboundary is Sl.)e.cilied intplicitly. 'I't_c U[)l)er I:)ou_dary is specith:,d l,t_, sa_le as i_ til(' iirst at_(lfourt, lt snapshots (note that, we could not, llave e.t_l.ereda 0 digit for l.l_c _l,pc.r b(,undary-.con,lil.i(_tlt,ype because the ul)per boundary is specified d_lt'erenl,ly fro_tl t.h_, i_l,nmdigtl.c,ly prec,,clingsnapshot).

8) The eighth snapshot is to occur a,t 20(),()(.)()yr. The boundary-condit, ion type is :/2:zero-concentral, ion-gradient lower bou_dary and concentratio_-tlux Upl,t,r boul_dary. 'l'l_e lowerbout_dary is specitied intplicitly. The upper boui_dary is specitied tl_-, sa.t_, a.s il_ {,he s_cond at_dfifth snapshol,s.

9) The nint.h snaps}lot is t,.:)occur at 300,000 yr. I'}o_ndary-condil, iot_ l.ypc 3:1, zero cc,I_cenl,rali_)l_gradient at both boundaries, is requested. The lower and upper boundari_,s arc sp,,cifi,._ti_@icitly, and t,l_us I_obo_ndary-condit, ion values are list,cd K,r this s._la.pslio(..

10) The tenth snapshot is to occur at, ,_00,000 yr. '['he boundary conditions ar,, l!<,t,cl_allge<l at. thist,in_esl,ep: t,hey remain t,he san_e as those specified for the imt_mdiat_,]y pr_,ceding (tlil_lt_) I.il_,,snapshot,.

11) The final snapshot is to occur at, 500,000 yr. This st_apshof llla.rks I.}__._.,ii(Iof l.h_,calculable,lt; ,tr

this point, the fihal results are writ, ten to the output,-tisl.ing file and the l>lol-d_tla tih..'. No' :, ,boundary conditions are necessary arid llOlle are spe(tfi(.._a

Figure 4.15 presents an example of the transport input-file bomtda.r_'-conditiot_ block creaW<l I_yINI)ATA in reponse tc)the above pronq:_ts. Figures 2.,I a_<t 3.21 show tlt_' bo_n,lary--coi_diliott I_locks tittwo TRANS inpttt-data files.

4.2.18 Initial-Condition Block ("lh-ansport)

An initial condition for a t,ra,_sport calculation consists of assigning conc_q,trati_.,i_ w_lues for alicontaminants I,o the calculational mesh before at,t,empting a solution. The initial-comlit.ion block isoptional. If t,he initial-condition block does not exist,, TFtANS default,s to _.:const, m_t zero initia!concent, rat,ion at ali mesh points for ali chains and species.

Supplying ata initial-condition concentration is useful it_ relaxation l_roblen_s. For inst.a._cv, assume t.ha.t,a dissolved contaminant, is buried underground; it. has a give_ cottcent.rat,ion in the itrm_,diate area at_ttzero concentration elsewhere. Assume no other source, flow it is transported is a relaxat, ion problem.

.I,'2, INI-)IIT DATA A NI) Ttl.I_ INt_U'I'-I)I_,IVEI_ MOI) 111,1';(INI)A'I'A) '2():_

.... ,, BDUHDARY-COHDITIDII BLOC}; ''....I0 # TIHE SIIAPSHOTS,i TIHE CDHVERS]OI_ I;UHBER2 # CO_:TA_,!I}!AUTS(CDHSISTEIICY CHECK)SIIAPSHOT # 1

0 y_ PRDBI,Eb', 'I'II,IE11 BDU'JDARY- CO'.iDIT IGr, FLAG0 tool/ro''3 CDHTAI,II!IAIIT # I LDWER-BDRY NATRIX COliC3 mol/m,_3 COUTA',,;IHAUT # I LD_,'/ER-BDRY FRACTURE CO::CI0 tool/ro',3 CDI!TAHII!AUT # 1 UPPER-BDRY NATRIX CO::C100 tool/m,,3 COI:TA',,'.I]!A!:T # I UPPER-BDRY FRACTUP,E CO!;C0 tool/m, ,3 CDliTA!,!IIiAUT # 2 LOUEE-BDRY I,IA'i'RIX c0:',c0 tool/m,,3 COIlTA!,!IIIA',;T # 2 LD!','ER-BDRY FRACTURE CU1;C0 tool/m,,3 COlgTA!,:IlJA_:T# 2 UPPER-BDRY I,]ATRIX CD::C0 tool/m,,3 CO;;TAI,III1A:;T # 2 UPPER-BDRY FRACTURE C011CSI:APSI.-IDT # 21 yr PRDBLEk TI!,',E12 BfIU',_DARY-CO'.iD)TI()U FLAG20. tool/m,,3 COl:TAHIIIAI:T # 1 LD",'ER-BDRY I,IAI'RiX CD];C20 tool/m,,3 COI:TA:,',ll:A'.!T # I LDL'ER'*BDRY F'RACTURE COHC1 mol/m,,2/yr COUTA!,IIHA:_T# I UPPER-BDRY bIATRIX CDI,'C-FI.,UX1. mol/m,,2/yr COI:TAI,!ll;AI:I # :l UPPER-BDRY FRACTURE CU'.IC-FLUX0 mol/:n,'3 CDI;TAHI]:A?;T # 2 LD?,'ER-BDRY I,:A'rRIX CO',;C0 mo]/m,,3 CDUTAHIIIA!aT # 2 LO','/ER-BDRY F'RACTURE COLIC0 mol/m,,2/s COHTAblII_AIIT# 2 UPPER,BDRY I,:ATRIXCD!iC-FI,UX0 n.:l/m,,2/_ CDHTAI,!IUAHT # 2 UPPER-BDRY FRACTURE CDI/C--FI.,UXSlIM'SHOT # 3

10 ),r PRDBLEH 1'IKE13 BOUI]DARI'-COI:DI'I'IOI:FLAG20. tool/m,,3 CDI',TA!,!I:;A!;T# ! I.OUER-.BDRY I,!ATRIXCO:iC20. mol/m,,3 CDI:TAHIUAI;T # 1 LO_.'.'ER-BDRY FRACTURE CO!lC0 tool/m,,3 COI;TAI,',II;A'JT# 2 L[]L'ER-BDRY :,',ATRIX CD;IC

0 toolro''3 CO!!TAHIIIA:;T_ 2, [.C*.'.'ER-BDRY FRACTURE COI;CSl;APSHOT # a

100 yr PEOBLEb', ] ]I,:E21 BI:_U?IDARY-CD:;D/TI[);; FLAG0 mol/m,,2/u C(]i:TAl,',I::k_;1'# I L{JL'ER-.BDRVb'.ATRIXCO!lC-FLUX3 mo]/In'.2/B COI;TAI,'.I;:A'.:T# I LDL:ER-BDRY FRACTURE C[]:;C-FLUX10 tool/m,,3 CO:_TA!,:]I;A',:T # 1 UPPER-BDRY kATRIX COLIC100 tool/m, ,3 COI:TA?,',I;:AI:T # 1 UPPER--BDRY FRACTURE C01:00 mol/m.,2/u CQI;TA?,',II:A::T# 2 I.O',,'ERBDRY I,'.ATRIX CD',',C-FI.,UX0 mol/m, '2/S CUIlTA','.IUA',:T # 2 I.OUER.-BDRY I.'RACTURE CDI:C--FI.UX0 mol/m',3 C(I',;TAT.I::A'.]T # 2 'dP}'ER--BDRY I,',ATRIX CD::C0 tool/m,,3 COl;I'Ai,:!:;,_',!T # 2 UPPERBDRY FRACT[]EF, COLICS]IAPSHDT # }5

1000 yr PROBLHH TIHE22 BUUI;DARY--CC)IIDIT]O;;FI.AG0 mo]/m,*2/s CDl;TAl,!11iA::]'# I I,[J'.:,'ER--BI)RY!,IAl'iiIXCOl;G-FLUX3. mol/m_,2/s CO;;TAI41I;AI;T# 1 LO',,'F.R-BDRY FRACTURE COl:C-FLUX1 mol/m_,2/a CDI_TAI,IIIIAI)T# 1 UPPER-BDRY lqATRIX COl!C-FLUXI mo.l/m,*2/e CO_ITAI,III!AIIT# J UPPER BDRY FRACTURE CO;IC'-F'LUX0 mol/m,,2/_ COI:'[AI,_II',AI;T # 2 LO',.'ERBDRY t,IA'rRIX CD'.:C-FLUX0 mo]/m4,2/H CUllTAHI!!A,;T # 2 LO.,'ERBDRY FRACTURE COtlC-FLUX0 mol/m',2/B CO];I"A!,',II:A::T # 2 UPPER-BDRY I,!ATRIX CO',;C.FI,UX0 moJ./m',2/B COII'FA!,!II;AUT_ 2 UPPER-BDRY FRACTURE, CO'JC-FLUXSI;APSHOT # 6

I0000. yr PRDBLE!.} T]!,!E23 BOU!_DARY -CD',;DIT 10!: FLAGO. mol/m,'2/B COUTAHIUA:;T # 1 LO'.:ER-BDRY I,:ATRIXCOHC.-FI,UX3, mol/m,,2/s COI_TAHIUAr,T # 1 LOL:ER--BDRY FRACTURE COlIC-.FLUX0 mol/m,,2/a COI:TAHI]:AIITII 2 LO',,'ER-BDRY HATRIX CO'.;C-FLUX

0 mol/m,,2/B COl:TAI,:IIIA_;'l" # 2 LO_,'ER-BDRY FRACTURE'. COY,C-FLUXSI',APSHDI'# 7I E*5 yr PRDBI.EI,I T!14E31 BOU!IDARY-COIIDITI OU FLAGlO. mol/m_,3 CD]_]'A:,',I]:AJ',TI_ 1 UPPER-BDRY I,IATRIXCO',?C100. r,ml/m,,3 CDIaTAHIUAIIT # I UPPER-BDRY FRACTURE, OO_iCO. tool/ro,,3 CD]]TAHII;A]!T# 2 UPPER-BDRY HATRIX CD!:C0 mol/m,_3 COI;TAI,!II;A'._T# 2 UPPER-BDRY FRACTURE CO_;CS]_APSHDT # 8

2 E+5 yr PROBLEI,! TIl,lE32 BOUIIDARY-CD!lDITI011 FLAG1. mol/m_2/B CDIITAI,',IUAIIT # .IUPPER-BDRY 14ATRIX COl:C-FLUX1. mol/ma,2/a COUTAHII;A_IT # 1 UPPER-BDRY FRACTURE CUI1C-FLUXO, mol/m,_2/a CO];TAHI!!A]]T# 2 UPPER-BDRY I,',ATRIXCOI:C._FI.UX0 mol/m:,_2/s CDI]TAHINAHT # 2 UPPER-BDRY FRACTURE COl:C-FLUXSIIAPSHOT # 93.E_5 yr PRBBLEH TIHE33 BOUI;DARY-COIIDIT IDI1 FLAGS];APSHOT # 10

4.E+_ yr PROBLEI,I T/HEO0 BDUIIDARY-CD]lDITI D]I FLAGSIlAPSHOT # 115,E+5 yr PRDBLEI,! TII,!E

Figure .1,15 'I'RA NS boundary-condit, io_ block examph'.

20,t ( :t:IA I.Vl'hH_ .i, (.; ENI,_tL41, I_.I'_I,'I'3?.EN( 'I',:

[NI)ATA pronlpt,s for init, ial-condit, ion da,l,a t_s follows:

INITIAL-CONDITION FLAGS ARE:

O. ZERO CONCENTRATION, ALL CONTAMINANTS, ALL MESH POINTS

I. CONSTANT CONCENTRATIONS

2. FILE-DEFINKr) CONCENTRATIONS

ENTER INITIAL-CONDITION FLAG (DEFAULT=O):

t],,s.'ing the illitial-colldit, i011 |lag, l,hr(.._ dill'ctehi, l,l('t, ll(:,tls of deliIlillg _tll illitial conc,.,ntrat, iol_ ar. I)ossit.,le:

Flag=O zcro: zero concent,rat,iorls are a,ssigJled t,o a,ll conl,mllill;Ull,s _LI,('very Ilat'slJ l)(:,inI,,

Flag--1 ('()llSI,311I,; 3 (.'Oll,S[,__l,ll[, conceill, r_l, iozl is a ssiglJed 1,o each Sl.)_,cies at, every Iilcsli t)oiIit,, ('l'he

C(.)llSl,alll, Ca.li 1_' difl't'rcrit, t'or di[I'oroul, st.mr.ies , alld l,he corlcellt, ra.l,i()llS iii tile illal, rix a.lld 1,1]o t'ractt.lrcs

('a.ll b(' (:lilrt're_fl.,)

Flag=2 file: each lllc'sll l:,Oilll, is a,ssigned a. conc(mt, ra.l.ion value I'rolll a tile prcvi,.)tisly ('rc,aI.(:.<lby lhcuser.

If ali initi;d..c_,l_,lition tlag of 0 is sl.'ci[icd, IN DATA g(_l.,r,_m_s .o f'urth(rr prc,nll)t,s ['or this ,.tat, a bio,ck,'l'h(' (l(_i'ault, i.itial condition is to a,ssigtl consl,all/, c,on('enl, rat, ion va,lucs ,,t' 0 al, (,a.ch ln,_slJ p()il_l,,

If an i.it, ial-.col_dit, io_ tlag o1"1 is s('l(.,cted, INI)A'I'A g_,n(_r;_,tes tl_c ft)llowil_g scri(.,s of' I.)ro_l_l)l,s:

ENTER # OF CONTAMINANTS (DEFAULT-I):

ENTER CONTAMINANT # i INITIAL MATRIX CONC (DEFAULT=O. mol/m**3):

ENTER CONTAMINANT # _ INITIAL FRACTURE CONC (DEFAULT=O. mol/m**3):

ENTER CONTAMINANT # 2 INITIAL MATRIX CONC (DEFAULT-O. mol/m**3):

ENTER CONTAMINANT # 2 INITIAL FRACTURE CON( (DEFAULT=O. mol/m**3):

ENTER CONTAMINANT # 3 INITIAL MATRIX CONC (DEFAULT=O. mol/m**3):

'Hlis c(msl,a_fl, c.o_lcc._ltration ,,viii be a,ssigl_ed to every _l;esll I)oinI al, t,t.:, I)cginni_g of a l,ra_Sl..)rl,

(,alculat.ior_. The d(:fa.ult, value of 0 i_llt,li('s a condition of no co_lt,an_ina_t in l.h(. ('olu_l. ( ',ollc(,nl, ral, itm

va.lu(.s In_lst t)_, _ot_nega.l.ive.

If ;tri il_ilial-condition ttag o1'2 is st)ecifi(,d , INI)ATA general,es ol_e I)rOl_l.)l,:

INITIAL-CONDITION FILE DEFAULT NAME: TRANS.(ON

The inil, ial-condition-filc name is a string of up 't,o 8() charact._:rs wii.l_ no elnbedded [,la nks.'I'FIANS.(:ON is tt,e d(.,fault, name ft)r the i_itial-corldition tile; tll(:ercf(',re, ii' t,he t_scr wotlld like t,o (is(,

l,he d(.,fault, h(! or she _J_ust, create a file handed TRANS.(;ON befor(., rull_ing the TI'b',,NS _l_,:,dule. "1"1_,_

COII(,(:II|,S31Jd fi)rlll;it, of tile ini/,ial-condil,ion tile ;ire given in S(:cl, ion ,1,7,9,

An exa_llple I NI)A'I'A session for l.he const, ruct.ion of a grailsporl, initi_d-condit, ion block follows. Not, ice

,1.'2, INPUT I.)ATA ANl) 'FIlE INPI:T-I)tN_'I,H_ A'lOl)l[l,l,_ (INI)A'I_A) 205

that, t.wo cha.izls are spc,('.ifh,d in th¢_ Collt_).lllill_.lll.-l>rOl)('rt.y l:,lock: til(' first ('ll_Lill (:(:)l_sisl,s ,:)l' oil(' Sl)('('i(,s,

the s(-'cond coIlsist, s of (.wo sp(_(:ies,

TNITIAL-CONDTTTON BLDCK

INITIAL-CONDITION FLAGS ARE:

O. ZERO CONCENTRATION, ALL CONTAMINANTS, ALL MESH POINTSI. CONSTANT CONCENTRATIONS

2. FILE-DEFINF2) CONCENTRATIONS

ENTER INITIAL-CONDITION FLAG (DEFAULT=O): l

ENTER # OF CONTAMINANTS (DEFAULT:I): 3

ENTER CONTAMINANT # 1 INITIAL MATRIX CONC (DEFAULT:O. tool/m**3): 0.01 mol/'m_:_tlJ

ENTER CONTAMINANT # I INITIAL FRACTURE CONC (DEFAULT-O. mol/m**3):

ENTER CONTAMINANT # 2 INITIAL MATRIX CONC (DEFAULT=O. tool/m**3): 0.5 mol/m__,7

ENTER CONTAMINANT # 3 INITIAL FRACTURE CONC (DEFAULT=O. tool/m**3): 0.5 mvl/m_'_,V

ENTER CONTAMINANT # 3 INITIAL MATRIX CONC (DEFAULT=O. mol/m**3):

ENTER CONTAMINANT # 3 INITIAL FRACTURE CONC (DEFAULT=O. mol/m**3):

l_l t,llis (:x_.IIll>h', (,he Iir:-;t, (:o)l(,a)llinall(, lla.s a. COllC('llt,r_l,(ioll ()I' (),()I il) I.II( II_al.I'i× al)(l _ C(:)llc('li(,I'a(,ioll of

0 i)l (,h(' fi'aci, Lirt,s assigiled to (_'very I,l(,s]_. I.>Oi)l(.,'Fli<' ,_(,col)d (:(.)Zlt._l)_i)_.)_(l)a,'.',a C<)))C('))i.r;t(.i(.)))oi' 0,,5

a.ssigm,d in bot, l_ ))_a(,rix a)_d fi'as'l.ur(_s, 'l'l_e (,l_ir<i <'oi_ta))_ii_ai_(, l_as _-xc_i_<(,)_l.ralioll of tj assig_,,.l ii_

Figure <t.16 l)rCst:I_(,s (.l_c i)_i(.ia.l-('ondi(,io_ l;)locl,: (_I'a (,ra)),'-;l)Or( i_)l>_)l--dat,a Iii(' cr(,a(.(,d I,y (ll(_ _l>ov(,IN I).A'I'A s('ssio)_,

**'***,_ JIIITIAL-CONDIT]OI_BLOCK ******I III ITI AI.,-COIIDITi OI.IFLAG3 # C011TAI_IIItAUTS(C011SISTEIlCY CHECK)O O1 tool/m(:*3 CDIITAMIIIAIIT # 1 UPPER-BDRY MATRIX COLIC0 tool/m**3 COIITAIqlIIAIIT # 1 UPPER-DDRY FRACTURE CONC0 5 mo]./m*_3 C011TAI,III_AUT# 2 UPPER-BDRY I_I.&'I'RIXCOliC0 8 tool/m**3 COIITM_IIIIA[IT # 2 UPPER-13DRY FRACTURE COliCO mol/m*_'3 CDIITAIqlIIAIIT # 3 UPPER-BDRY I_IATRIX C01ICO mol/m_:,_3 C01ITAI_IIIIAIiT# 3 UPPER-BDRY FRACTURE COLIC

l:ig_lr(:, 4.16: 'I'I'_.ANS ii_i(.ial-.('o)_dit io_l block <'xal)_l,h,.

206 C',IIAP'I'EH, ,t, (;'tqNI'H_A L I?,t';I"I';I_lqNCE

4.3 Steady-State-Flow Hydrology Module (STEADY)

'.l.'he 'I'OSI'A(:'. l_odule t(> solv,, for sI,('ady-sl.al,c w_tl,cr flow is called S'I'IV,ADY. 'l'l_ )ll_,dul_ us,'s alinil,e-differeuce Illt_(hc_(i,difference_l across (,llree Itlesll poillt,s, t,osolve a conserwl,t,iou-ot'--tllass I'orlll ofl)arcy's l,_tw (Sect,ioll 2.2 of Volum.c i).

In one dilllC,lsion, a st.ea.dy...si,a(,e solut, io_l ca.n be ul:)t.ttizlcdby t,rea.t,iug t,lt(:,probl(qn a.s a._lix,it,ial wdll,,probleln (IVP)and int.cgrat.ing witt_ respect, to l>ressurc lv:_d. S'FEAI)Y t,rea.fs (,lie problem as a.boundary value l)rol.,l(,_))(BMI:)) in or(M' to I:)¢.,('onsisi,ell(, wit,h 'I'OSI'A(.','s dyntulfic-llc)w at,d (,rallSl>Ort,SOl V('I'S.

As discussed izl Sect,ion 4.2, 1(.),S'I'EAI)Y is rest, riot,cd Lo a tlux Uf)l)(2r--I_o,,_ndarycoudi(,io_ a,l_d a.i_ressurc-head Iowcr-l>ou_d_ry condi(_ic:)_(t_oul_d;u'y-co_Mi(,ioll tla.g 12). I"urt,l)cr_ltore, S'I'I'3AI)Y ca_ol_12rsolve t'or downward flow (negat.ive tit,x).

'li'his sect,Jolt cout, ailts a. discussion M)uut, t,hest, rucl,ure of (,he S'I'EADY _)lodule (Secl,iot_ ,i.3.i), t'oll,.>w_,dby a cliscussiot) of how (,o execu(,e S'I?EAI)Y (Sec(,io)) '1.3,2).

4.3.1 STEADY Module Structure

l"igure ,'l.17 contaiI_s a. dia.gran_ of (,he t,op-h,vel logical flow of S'I'EAI)Y, S"I'EAI)Y bvgins I>y rea_ling(,l_eIo'drology inpul,-dal,a. Iii('. (default, It_rl_leS'I'F, AI)Y.I)A'.I') in subroutille SINPU'I', a_ld iuit,ializit_gv_rrious paralnel,ers iii sul>roul,i_m SIN'I'I.,Z, SI N'I'LZ i_lcludes a. first, csgill)a.t,e of Upl)cr a)ld l<_wcrbou_lds tsr tttc I:)ressure-hea(l solidi,ion, and a calcula.(,io_ of v;u'ic_usclel_Cuden(, v;_riabl(_s, sucl_ ;_ssaCurat, ion, hydr_.mlic conduciivil,y, and tlux, _I'llc iui(,ial (2st,i_ttm_ of ;_sulu(,io_ is I,]l(,h:,wer t)ou_)d (.)t_t,lle pressure hem:l in so_e uni(,s, and (,It('.upt>er bound in o(.tmrs. (Volume 1 co)_(,Mns l,ht, r<,asollsI)el_ind using _at>l)erand lower bout:tris,) The initial boundary cc)_tdil,ions ;tr('. (.h(m ca.lculal.e_l iI_subrou(,i_e PIt BNl). STEAI)Y concludes the sc(,up section of (,he progrm_ by wri(,i_g ou( _d] til,, _lal,a.ii, is usi_g (,o the oul,l)U(-list, iug file m_d (,he plot _l_tta file in subrou(.iue SINWI{,I'I'F,.

'l'h<, calcula.(,iol_al sect, ion of S'.I.'EAI)Y co_)sists of one l_mjor 1OOl).'l'hc calc,.,la.(,i())lal _l)<,sllis I>rok,'_

into purl.s, working front t,he bo(,toln up, each coltsisl, ing oi'at siuglc geologic u)ti(, or of 100 mesl>t)oi)t(.sect,ions (ii' t.hc geologic unit comprises _uore (.l_alt 120 mesh point, s). The dilDr,'uce cqua(,ioI)s( Vohtm.e 1) m'e used i)_subrou(,ine PICAIU) Lo const,ruc(, a (,ridiago_lM ma(,rix A and art it)l_o_nog<.et)ousw_ctor b ........i,e., t,he li,mm' syst,em, A .p = b, wlwrc the pressttre-lmad wect.or p is (,h(.'unknowl_. '[']teiuit,ia.l est, im_t,e of a. pre,s:sure-hea.d solution is used (,o consl,ruc(, A and b. The unknown vector I)cont,aius the refined esl,ilna(;e of (,he pressure-heatl solution once (,he linear syste),, is solved. 'l'he linearsysl,elll is solwed in subroul, ine 'I'RIDG, Note that (,he three-l)oin(, dilDr('.l_ci)_g _ts(:;din PI(',AILI_) resultsi)_ a)nai, rix with (,hree diagonal b_mds, a. relal,iwdy ea,sy lira;at syst(')n (,o solve ( Volu'mc 1).

'['he solut, ion of t,he linea.r system tel,urns ,'_bet,(,(_restimate of t.he pressur(:-l_ead w_cl,(.'r. Not <rely IllUSt,

l.l_is es(,il'_at,e be col_pu(,ed and recon_l:,ut,ed over a._adover again (tr process called iW.ra(,ic)l_)uu(.il ii,conwerges t,o an a(:cel.)LaJ_leanswer, but because o1' t,he numerics, ii, is not guttran((,ed t,(>converge! insubroutin(.'. ADJBND, l,]w pressure-head solutiou is checked to det(.;rl_fim._if it. fMls b(,t.ween l,he Ul>l)era_(.I lower bounds; if"not, ii, is adjusted. Furt, her_r_ore, (,he. I,,,voprevious pressure-head esl.illl:M.csareused 1,ode(.ermine whether or not (,he solution is osCllating between) (,he t,wo bo_luds, If il. is, t,lt(:bo_ands are t_rbitraa'ily colla.psed, and t,he solution is _)nsi&,red uriaccept, M)le ['rotn theft, ln(:sh t)oil_(,upwards (the discussion of subrout, ine REBNI), below, discusses ,,vha.t happens in this ca.set.

4.,'L S'I'F;A1.)Y-,'_"IIATt';-VLOW tt _'DRO I,()(VY A,I()!.)1¢I,i_ (S'I_t,,'A1)Y) '2()7

I r"EBNO,]

F'igur(_4.17: l O. t A(., S l !!,AI)Y mo(tuh_stru(:lure,

2{.)8 C;IIA l_'l'Eh '. 4. GENEI_,A L I-_,I,;'I,'I.'H_.t,,'NCE

Sul)routine G I,TFC,I_,V calcul;_tes _he hydr_mlic, conductivity (ha.sed oil tile t)rcssure-lle;_d solutioll)

lleci.'ssary t,o res(.3t the ditl'erence (:qua.tiolls. (.III';'.I'([.II_,Va.lso ca.lculCd,es o(.ll('r (lepelld(_ll(, vm'iahh,s, sucll _t.sJ/la.t,rix aild fra.cl, lll'e sal, ul'al, ion. A ¢:_tll I,o I.'IlBNI) l'eaSSel't,s (,lie l)l'eSSilt'(',..llc'ad (lower) I}otlll(iary and

recalculates t_ l)l'OS,,._tll'{_h{_a{l for i,hc, llux (lll)l)el') [)Otll|d;:H'y,

'l'h¢, solution is tllcll cllcck{:'d for collv{*rgellc{_. {.'.ouv{.'rgenc{_ is rea.c'lt{_{twh¢_Ii tilt 2 l}ressIJre llvml _tl, any

ll_esh l,:)illt v_:tries t'r{)tl_ l.lw l,rt,ssurc hca.{l c_.lculs.t{.,d duril_g the previous it¢_r_ti{:,_ I)y I{,ss {.l_al_ a t'_.:_ct{::,r

of {}.01 ({_)_e..l_undrcdtl_ -surprisil_gly, I.igl_ter t.olera,lc{_s do _,:.',l,h,.'lp). It' II,.'. pressure-I,._ad solul, iol_ has

l]ot., conw:,rge{t, S"I'Ii;AI)Y goes I)_._ckt,o I}i(P,A I'_,D _u_,.lI,_gins a. t,+,w itcr+_.tio_. 1t' the I_}r,,ssttrc-hea.d

solui, iott has co,_verge{l, but t.he t)otttl{ts hav<_I}('elt t.+mlt)ered wil, lt, S'I'I,',A I)Y cuts oft' lhc Imrt of tlmsolul.iot, t,l_._t,w_s aCCel,tM)le, ca.lct_ln.t,_-,snew I)ounds for t.l_e reil_ainder, and goes I.mcl,: to i'I(',AI(1) i,o

l.)cgil_ _:_new ii.el'td, ion. ':l'llis process {,a.kes l:_l::tc_'in suhr{ml.il_e I{I!;I';N I). If the t)ressur_:,-I_(,ml s,.)luti{.}l_has cot_w.'.rgc.d and the hounds hn,,,e not heel, In_lq}ered wil.h in AI).II}NI), S'I'gAI)Y co_t,i,_m's i,o

{::a.tc_la,te the solution t\)r 1,1_{,next geologic u,_il,.

\,Vl,:n the pr{:ssure l_ea{l Ims I:,een c,..}_._l)_te.{If{:,r <t('h geologic unit, w-u'i,..}_s{)l.h,,r del:,'lldehl, v_,.ria.hles

are {:'.alcul_.ted (llux, vcl{)cil,y) in sul)r{:,t_til_{_ (_I'._'l'Ol.i'l'. '1'11{.'solutioI_ a.._d ttle dct}c,i_{..h_H,vari_-tl}h:,sare

writl,c_ to l,h{_{}utt:}ut,-listi_lg file and 1,1_{:I}lol,-{l_ta. Iii{' in sut}r{}ut, i_{, SI'I'WI{I'I'i",. 'l'ravel l,i_l_es are

calcula, l.{_d a,l_{I wril, l.{:,,_to l,l_e oul,I}ul,-lisl.il_g file in subr(}ul, in{, 'I"'I'C)I.I'I'. Aild fi_lally, tl_{:' I}l'{;ssllr{"-l_{_a,dsolution for l.hc, {'hl, ire l_]{_sh is writl.{:.l_ I,o tlw. S'I'I'2AI)Y s{)lul, i{)_l fib:,.

4.3.2 STEADY Execution

S'I'I!2AI)Y is {_xecul,{2d by scle{:ti_g cl_oi{,{2 l_u_l_h{:,r2 wtten i}r{_s{,l_l,edwil, l_ t,l_e TOSt}A( ', _,,ain lncI_u:

O. STOP

I. INDATA

2. STEADY

3. DYNAMICS

4. TRANS

5. OUTPLO'F

ENTER CHOICE : II

'I'{.)SPAC. i,_{ti(:{[l,{:,stha.{, ii. is executing S'I'F, A I)Y wil, l, l,h{',t'ollowil_g:

TOSPAC MODULE STEADY

At this t)oi_t, 'I'OSI'AC', ;_sks for t.t, ? n;t,n{, {}t'the i_t}ul.-d_.t_ fih,:

ENTER STEADY INPUT-DATA FILE (DEFAUI,T=STEADY.DAT):

11' the inl}Ul,-data, file does not exist, a.n error _nessage resulls mid tl_{' t)rolnl}t is r{'l)eated for _fllaXilfltllll of three tilll{!'S, aI'l,{'r which coill.rol is re.turned to the 'I'OSPAC mMn lllel]u.

If the inf}ut-d{_ta, file exists, '.I.'OSPA{:I reads it, alld inl'{}rl-ils {,h(.".i.lser:

READING INPUT-DATA FILE inpul.dala_jilc_'_amc.

,t.3, S TEA D } '-S 7:4 "1"E- FL 0 _I' llt }'D t70 L 0(.7 }" ;_l 0 D [ T.iE (S'1 'F A D }') '2tl9

If the input-data file coiltairis errors or ili,:orisisterl.cies, OllC or lnoro _',rr,,:Jriiicssagcs will at,t;,.'ar C,l;it'h_'

t.eririiilal ,,._¢reerl. AiAb' error causes the iiltcrr/ll)liOll of S'!'t:;AI)Y: coritrol is t.ilell rcltlriic, d to rh:.,'IOSPA(' SI{ELI, alid iii,; >'I()Sf'AC lllail,i lilt>liU appears o1_tl,ll, torlilinai screcli.

If the illput,-data ti]e do_;s ilot C.Ollf/aiil a Ii_l_,'blocl_ (S(.',:'iion .t.2.1 1), 'I'OSI_AC ' l)r<.llll[)ts for tile llitllri.,_s <.;ii'

th e t lir e,e S'l" I:;A [) Y o tl1,[i tl i ti leS:

EIITER STEADY SDLUTION FILE (DEFAULT:STEADY. PSI):

ENTER STEADY OUTPUT-LISTING FILE (DEFAULT=STEADY,LIS):

ENTER STEADY PLOT-DATA FILE (DEFAULT=STEADY,PLT):

lJet:auli 1i1_..lialli.c,s ;ire ttis,;'uss,.,,t iii ,qt"ctioii ,t.7.

I( a fib.' t.,l,::,<"'ki_ t:li'e,_)c,lil_ iri tiic iliplli.-dal.a 1i1+'.S'It'.;AI)Y <"r,:.at::_srh,: Iile,_ lialllod iii l.l:i,, Iii,, t:,lo<:h:

CKEATING _TEADY SOLUTIOII FILE ._+:,/ulioli./.i/__ll<lmc,CREATING STEADY PLOT-DATA FILE ],h,l.d_i#a.]ih...Ti,_r,_i_.

CREATII_G STEADY OUTPUT-LISTING FILE ,:,'utl,_f-li._'li'l_9.fl'l(.'lt_'m:_,

Aft,:.,r tilt iilt:t.i.it aii<.t otitt,tJt til, + iTaill,.++art + dcfiiit+d _.liid if' tt,,, iilt.lut,-data fil,, cotltailis ii(., c,rr<,r,s or

illc<Jiisisl.<:'ncie_, S'll'iW_.l)'l.' +'l._t<-'rst lic ('aiClilalioii Ioo l) wii+h l lii + 'roilowiilg r4.tic)rt;

IIIITIALIZING VARIABLES..

BEGIN_I|#G STEADY-STATE FLOW CALCULATIOI_,,.

ITERATION = I WORKII{G ON UNIT # 1

ITERATION = ,'tOWORI(ING ON UNIT # I

ITERATIOII = 20 170RKING ON UNIT # 1

ITLRA'rlO_ - 30 WOR.KII_GO|l_ UNIT # I

"Iii,' itcrali_Jii s,ta(i_,,, i'_.,l;Jortis writt+,n ai l,-'a.:,t ,,v,:,ry tc,li it_'raliol,s. S'It;AI)_I ' calcllla_,:s I lie

st,,,ad)'-st,:tt,, flow fY_r(.iii,' g_<c,h:;,gicuriit at a lililV, tlogii_.nili_ wit.li tll,, b<Jl.folii uiiit, aii.cl ,,v_.ry liill+'

,q'l 1!71tl)"l' 1,_,giil,_:_'<.,!_kiilg ,:.,l'lallol.il,,r g_:olc,g;c llliit, f.iiiotiiicr it,.r,':ttion .stal iis ret_<,rt is wrilt<,il. 'ltili.s,.tli_. /lh.ePCrtll k,",.'t_lrack ot" tlow lh,:, cal<:'lllalioii is proc_,.,7,dilig..

f4] bY,'_[)Y all<,v,'s a lllaXilllUlll of D(i(J(Jit_,ratioil_ t.lei" caJculalioli. If 5(1(1(!il_,rati_:,il:_ hay,, <:.:'<'lirrctl arid li,.i

_<,luliori ha.,_,t:l_.,<_rirei+:cii,.-d, an ,,,trot nle..5.sagyis wrilloll t.o ttie Seil'(:<,;ql,and S'ILI:;ADY is iilt,_rr_it)_ed, wilh

control reti<lrniiig t,:; i._i,, i(JS[:lAC SItl_;[,.I,.[;sllaily. an iliordinaltt ll'_illit,'r of it_'r'ati(.)li_ ilidl(,al,!:s a

f'alllt with til_" s|_a,,cirigcliptl_e ill,_,,.,,ltpoilit.,, iri til, .>cai<:ulatiollal ili,:,:sti, lt is advisc,] thai till., us._,r ili,;i,.til"y

rh+, I1V:StI t,lo,."k iil t}l_" liydl'<..,l,>gic ilit.,i.it-,.laia ti1<', t t_,:'li rcrilll STf';AI)'I',

As 5'I}].A[JY _t.?pli]ill,_.lie:sex,!'ctl(.ioli, th,. d,,viati,.Jii }i_,i,,_.+:,ellIhc7 <'alculat,:'d flux alld lil<' iil:il,(,s,_'d tliix i_

coliltltil.ed. [[ the l]ux d,+",'iation <lc>¢_.sllOt ,_X¢i_'CC] ]0(_ :.tr all)' llil':Sl'l t_<.Iiiil, S'I[-AI3Y wr'it,,,s i ia. [ollowiligmes_ag.,_t.o til+" tl,_,t,l"s tc:,rl_lilial:

210 ('tt4 PTEI_ ,1, G FNER/! 1_ I{EFIqRIr;NCE

MAX FLUX DEVIATION= ?????? _ AT MESH POINT: ??? ELEVATION: ????.

where t lie (lue:st.ion lriark.,.i are replaced by apt)roprialv nutllbers, li' (lie flux d(,via( i(.)lt i_._g,rrat,'r l,llan

10"_, aL inore than a sirigle mesh poiilt, a liile reporting t,h(' tlux (h:viat.iort is wril.terl t'()r t:._.l('ltof Iii(.rrie,,_]i poiriis _:xc¢._e(Jirl!_I()(Z, deviai, ioli.

FLUX DEVIATION= ??_??? _ AT MESH POIN'] '= ??? ELEVATION = ????.FLUX DEVIATION= ?????? _ /IT MESH POll#T= ??? ELE_A'rlON= ????.

FLUX DEVIATION = ???777 Y,AT MESH '31NT= _?? ELEVATION= ?,_??.

If' S'II'.;AI)'F calcul(It("s a solut, ion iii l(!,s.s (.h_lll .")(.)(jt)i(.erai,iorls, (,h_' f(:,lh.)wiJlg, lll(:'SSag(_ i,'<disl)l.y('d:

NOEMAL STEADY TERMINATION

I{ STEADY takes In(,re tI:a, 5000 iierati(,ns t.o ('a.lc,.ilate a solutiorl (or ii' (:'rr(m< are f(:))_irl(lii,. til(, iril)tii

data) the follow ing m(,s,s_lg(:._is displays'd:

ABNORMAL STEADY TERMINATION

At, i hi_>I)Oilil., colltrol is r(:t.urried (o tile T(.)_}>AC, SIIELI, and i.tir..,TOSI>A(.. ' iiiaill iilcritl appears o;l iii(.'i1,,,,,,,>1"<s lCrllllnal,

.ii, llltl,_( t_)(' ,%t.I'(.'.SDC(J thai .,i._t, i)eclul:'e !.4'l'bTAI)'f tl_,l,s ri.,ache<J a ,_olutioil, wh('ilit,r or ll()t, I,'rll-iill:tl, iol) is

llorlrial, ii dots IIOt, lil("ari (,hal;, t.t-i(,,solut.ioli is acr(.,t)i.a!)l,.,. 'l"lic ,L,Oltllior). ('alctilat<-,d I>.y_'I'f_.',A[)'_' Iil_-l.y

vary ,_ignilicaiit.ly [rOlll slt:.a(l$, s(,:i(c,. Matli,:,lriati('_.llly, si(:,ady, sl a,lc lt()w iii (;)ii(, _tilllCiisioii l'cqtJiros l.li(.,

flux (or [)arty v(-:locit,y (:,i' pi.+rcolalion ralt, (;)r :rrllc ,si' ilifiltrai.ion) tc)t)<_ _.lcoil,<,lalil.. Tti_.. a<:'e'(.t>t.abilil,_<:,f'a, s()lu(,i(-)ii, i.c., t,hc alllotlll[ that t,ll(; calculau:d {iii.',: dt,vi_lt(-_ Prolli lhc ilnl;ic.)scd flu:,(, d,!'p(.,ll(l,<,;Oll t.iie

alJl)li('a(,ioli. 'lO iiill)roy(, tile ,_ohltioli, retilie ii., ili+,._h ,_<t,1m(';<ti p(,illl_ iii th0 al'i,a...;wh(!ro t,lie fiji× is

uiia.c.c(:pta.l'de.......tliorl reruil STEADY. _7(.)niel,iln(.'.s,.cai('ulatirig ali a.¢(i(.'l:)tat)le_oluliori i_iay ilivolv_,srveral iterai_,ions v,,h('r(_ lhc lllc:sil is refin(,d ;ilia ,<g."I"EAI;)Yis reruli, tt]<lUalioiis i)r<r,'iding guiclaliC(, Oll

acrept,:tbl_., rii+.,_ili-l:ioirll. _l:)aciiigs for steadb.;4a!,_ calc.tlia(iOli:-_ arc of{'er,:_d iii ,_cclion ,t.7.9 ,)[ i,lli_ (;iiid_,,7111(t_geci,i(Jll 2.:]of l:o/llrn(: I,

,1.,I. TR _ NSIENT-FLOW tf)'I)IiOL()G'_" MOI){ILE (D_'NAMI(N) 211

4'4 TransientFlow Hydrology Module (DYNAMICS)

The TOSPAC Inodulc lc, calculate dylia_ltic, or transi,!nt, wa.t_-,r.'t,.uvis called I)YNAMI('.q. 'l'llemodule uses a tinite-difS,rerl,ze mct.l,od differencr'd acr<_ssthree nt,-'slt poirtts, to solve t,he Richarcls'Equat.ion, Richards' Equation is silllilar t.o ltle conservatic;_l-of-Ill_css Ik)r:i_of l)arcy's law, excct_t that.where Darcy's lav,, stale,_ that the di,,,ergenc,, of the. tiux equals zero, t:¢.ichards' Equation states lllat tllcdivergence of the tlux changes with l,lme all_l With the capacitance (st.orage capaci_./)of the iD_at_'rialcarrying the flow.

'rbe difference equations irt I)YNAMICS art very sin.lilar Io lhc ditfi,rence _quations irt tilest.eady-state-flow solw:,r, STEADY. [)YNAM[CS can use a S'I't!;AI)Y soltll.ion a,s ali ilkit.ia/ con_lilion,

This sect,ion contains gadiscussioll of t.lw sl ruct.ure of l lie I)YNAMICS nlodule (Section ,1..:t.1), adiscussiorl of how to execute I)Y.tOAMIC:S (Sect,ion ,t.4.2), a.nd a. discussion cff the capability t.o r<_tarl aI)YNAMICS calculation (Sect, ion 4.,.t.3).

44.1 DYNAMICS Module Structure

i:'igure 4,18 contains a diagram of the top-lew.q logic [low of the I)YNAMICS tnodule. I)YNAMI('Sbegins by reading the t,,ydrology input-dat.a file (defaull nallie I)YNAMI('S.I)AT) in subrout.in¢'SINPUT, and ir_it,ializing varums parameters in subrout, ille I)IN'I I,Z. in I)INTI, Z t,he default, il_itial

condit.ion .....the init.ial pressure head at, each ltJesh poillt. ....is read (unless it was defined il_ SINPI_I'['),and the init,ial calculation of various dependcat, variables, such a,s saturation, hydraulic c<mducl,ivJty,and flux takes piace., 'l'he initial boundary conditiolls are tllen calculated in subroutine 1'[t BNl), ;uldt,he initial water lll_tss aad aw_rage satural.ioil are calculat,cd iii subrout, ine AVESA'['. DYNAMICS l.h¢.llwrit,es out, the set,up data it i;-.'using to the output.-listing file (default. nmtle DYNAMICS.I,IS) and th_,plot-dat.a file (default. mm_e DYN A MICS. PLI'), il_ sut,routine l)lN W ttlTt;:.

The calculat, ional section of I)YNAMI(:S, a,s in STEA I)Y, consist.s of one tlm.jor loop. 'I"h,2 I_,ol, b,_iitiswith the ca.[culatio_l of _t/.truest.ep i_t subrout,im, TMCNTL. [:2ach ilerat, ion has a t.i_lwst._'p. 'l'h_'problem t,ime starts at, _he fir,st, t.inle (usually (}) detim,d in the bou_ldary-condiiion block i_ t.h_:,input,-dat, a. file, and as the cah:ulation progesscs, ii, i.s t,l_esun_ of ali the preceding t,imest_,ps.

The t,itnest.ep ix added onto t,he proble_n lime in subroutine I)l)(".N'lq_. The new probl,qll tii_e ischecked to determine if a t.it_]e,_;_lapshot has been met or if tile nmxinmll_ t,imv ]_as been _'xce,'d,:d; ii'yes, various flags are set. to output, result,s, change boundary conditions, or, eventually, t_:_halt lh<,problem. With this bookkeeping taken care of., DYNAMICS begins t.he solut, io_l.

The Picard difference equations ( i,blume 1) are implelltented ill subrou'dr_e f_l(:Al/l) to const.ruct at.ridiagonal matrix A and an inhomogenous vector b; i.e., t,he linear syswm, A .p = b, where lh,:'pressure-head veer,or p is the unkrlown. "I'he first, t.inm through i.he loop, the initrial-c_:,nditkm pressurehead is used to const, ruct. A and b. The linear system is solved in subrou_,ine TIt.II)G, (No_e that,, as irlSTEADY, the three-point, differencing us_,d irl PICARD results in a matrix with t.hre,, diago_al bands,a relatively ea,sy linear system t.o solve.)

After the Picard linear system is solve,.t, the unknov,,n vector p contains the initial eslin_ate of th,,

pressure-head solution at. the new problem t,ime. DYNAMICS _hen uses Newton's M,'th,_d to cortv,,_rget,o a more accurat.e, and rnore stable, solution. ('.overgence is a.ssumed v,,l_en t.he pressure head at, each

Figu re ,_.18: ']'OS PA(! I)YN A M l(:S ,,,o(tule ._l.ruct.ur_.

• " } ' l: ,,1,.t, TtL4NSIENT-t'-'LOV¢ Ill'Dh(. LOG Y MC}I) Lt'; (DYNAAII(7,S') '218

mesh point changes less than a fao.tor of 10 -'j frolll the previous iteratioil. Ne,,viotl's Melllod isprogrammed in subroutine NgWTON, 'Pills lilmar sysU;llJ is also solved in sllb:'oltI.ilie '1'1:{11)(i_.

If more {,hart Ion it,eratiolLs of Newi.on's Met,hod are needed t.o Ilw(,1. lhc cot_w'Pgenc_:, critePio_l, t.he

t,imest,ep is st,opped. 'l.'he c_dculat.ion is backed up to tl_e previous tilne alld is repealed v,'it.ll a sl_m.llert.imesl.el).

With t.lie new l)ressuPe-head values, new sal, tlt'a|,[Oll alld llydPaulic conductivity ,.,_.lm,s ni',' calculale¢I iii

subroutine (:I.[CI"(I!I{\:. Ill su.broul.iIle I'IIIaIN[), pressure-he;t,I I}ouwldary condit.iolls m'e l'_'_t,SS{'l'{ ed ¢'llid,

for flux bounda._:y cotlditions, flew I)outldary pressure llemts are c_-tl{'ll[8,1{,tl,

Al. the ell(] of the lot, p, if a lillle-snapshol, tlag is set, {}lll.i)tlt {tal_t. a.l'{, ('alClllal{,,,I. \.\:ii.ii l_l'{_s:_,t.li'_,lien{is

and co_duct.ivit, ies al. ali n|esl_ poinl.s at. tlm new l}roBh't_ t.i_le, the Ilux _d av_._rag,., li_{,ar velocitiesare calculaled i_t subPout.ine (_t'.;'FO!.!'I'. 'lh{_ wafer l_m.ss a_d satura_.ion c,f 1.I_,colu_ at{' c;llc_lal.{,d in

AVI}2SA"I'. Then l.h{.' t}i'essur{,-h{_a.(t solution a.ud ill{: del}en,.l{_l. \,al'ial}h,s _tP{' wril,l{'n 1,{}l l_{_

oul.i}u{.-IislJJ:}g, tile and the i}lot.-data file in subrou{.in{, I}l'l'Wl/l'l'li2. 'l'l,vl_ {,t_c {.{:q'!_tinnli{}l_tlag is

ch{.'.cked. If the t]_g is l_ol set,, t,he cal('ula*io_ contii_u{.s. If 1,1_{..ttag is s{,l., l,l|c.I_ l,t_{' c_tlculal.i{)_al l(,{:,l}halt,s, and tl_e I)YNA;"ICS I]_odule l.t,rlllill:ll.{.s.

4.4.2 I)YNAMICS Execution

I)YNAMI('S is {'x,{?cut.{+dby s{:t{:cti_lg clloict? ttutt_b{,r 8 wltt'_t t,r{,s{._ltt'{I wil.lt the +l'(),ql'.,\(' _llnin i_,.lttJ:

TOSPAP VERSION 1,10 MAIN MENU

0 STOP

1 INDATA

2 STEADY

3 DYNAMICS

4 TRANS5 0UTPLOT

ENTER CHOICE: .'.}'

'I'OSPA(", indicates that it is {,x{'cul.il}g I)YN.ANII(:S wit.h ll_v l"o}.l{,wil_g:

TOSPAC MODULE DYNAMICS

ext. t.his l}{.}i_l., 'I"OSIb\{" asks for the l,a_lt{, {:,t'{l_,a iI_t,ul-data /ii,:.

ENTER DYI_IAMICSINPUT-DATA FILE (DEFAULT=DYN,_iICS.DAT):

If {tie iIlt}ll{-¢Ial_:_ tile {](,es I1{.}1.exist, al_ {,rr,.)v l_essag{' i"i,sl_lls al_{] l.}}{,l}P{:ll,l.,t, is r{,l,{.,al{,{l t'{)PaIllS, xiIIIlllll (}[' thre{' _..i_l_{£'s,afl{,r which COllit'oi is r{qurn{!,d lo lh{, "['()SPA(' llmil_ _{.l_u.

If t.he inl}ut-data t:ile exists, 'I'OSt}A{' l'{2,ailsii, gtll{] illf{}rlllS lilt:' IlSOl"

READING INPUT-DATA FILE _put-data_.li'h'__am.('.

If {he inp_l-dat, a file ('o_t.ains errors or inconsistencies, ota. or _l]or{' ,.PP{}r _l_{,ssages will al,1},,;tr (}_ l l_{..

-_-!:|

214 C[fAP'.I'tJ:,f¢. .1 (.,LNEItoAL, I_.t,I_ I,lt£N(;t_

(.errninal screen. Any error c_.m:ses t,im iltt.(._rupt.ion of [)Y iNAM I(:S; cont.rol i._,filch ret, url,..d to t;h¢_

'rOSPAC St:II,;LL aud fit,.. '['OSFA('. lne;.iii |,l_:qtu t.tt_t:,(:iu's L.,rl l,}l¢:t.eillJilt;_l ._cr(en.

" s,' _,_v. t.>r(,tni.)t.s for tlte na_z_es ofIf' l.he inl:)ut.-dttt.:.:t, lih.: d,.,es ii,:_t c,:.,,_{t_.l, ,, Iii.. i_i¢,_[.:(_'.;,:c(i<:,n.1.2.[ 1), 1(..,,>f'_ '"the file,,.+:

ENTER DYNAMICS INITIM,-.Ct,/_I)IT.!OTto:+t*7[Z.,E(!.:'ii..'.:,.!]L+t'=ST1;;ADY+PSl) '

ENTER DYNAMICS DUTPUT-LISI'II_tl l.'lf,g (L,EF'_ .[,i.':¢_NAM.[CS.I.,.[S):

ENTER DYNAMICS PLOT-DA1.'A F.fLE (DEFAUL'i"::t._/N/_fiI(_,S.PLT):

File-name (tef_udts ar_, ha.ndlc_d sl:_]lar!:, t::)t.h(, _,_(,th(-,.I usc.,.:l by S'/I'i':A !)'f, S( ,'_.ion i.'2.:2 cont.aius a

discussion ,:)f file-name ,:t(.f;-,_lt.:;. 5',t:.,t.i,.,,_ _.2.2 _is,:, ,',.:,_.ains a. db_cussh.m (..,f('.r(..aling lnull.il:,le [:lies wit, htlm Sallle ll&ll]e.

If rh(:', inl)_lt,-d_t,a tile _loes ccmt_Un a fih; [,lock, I)Y N A MIC, S prillt.s ,,_t. i l_,:.'-ll_u_trs of l,]_e outl)ul, tileswhen t,hey are crea.t, ed'

CREATING DYNAMICS PLOT-DATA FILE l_tO,..d_l(_..fll(.'...il.a_,n.r.

CREATING DYNAMICS OUTPUT-LISTIN(] FILIi;oi_@,_l.-&sli_t__file_'_a',_r.

If lhe inii, iM con(tit.ion is sp,::c_fied tO' li!,:., 'FC)SI'.,\(' i_,:licaU,._ when t.ltc /ii<. i_st:,ei_tg read:

READING DYNAMICS INITIAL--CONDITION FILE Z_._t_al-co_,i_.li(_,._/ih.,a,_:.

As wit.h the i_tpul.-dah.t til('., ii" l.he i_iti_._l-('(.,,_Jiiio_ iii,' contains errors ,.)r iltc.on:sistenci_s, an errormessage results and c(:,[_t,rol is l'et.lli'ned to rh(! I'()_:;I'AC StlEI,I,.

Aft,er t.he ir_put, a.ltd ou(.pttt, l:ih_nantes t_re,:htine_l _,] if no errors ]t;tv,_ [:)e(.._rcgisl,ered, I.)YNAMICS

c'nl.ers the ca.lcuhttion loop wilh (,lt(_ l_,lh,v_.ii_g,report.

INITIALIZING VARIABLES...

BEGINNING TRANSIENT FLO]_ CALCULATION...

SNAPSHOT I... TIME(UNITS) -????

ITERATION = I STEP(UNITS) = 7??? TIME(UNITS) ""??77

ITERATION = :tO STEP(UNITS) = ???? TIME(UNITS) = ???7

ITERATION = 20 STEP(UNITS) = ???? TIME(UNITS) - ?77?

ITERATION = 30 STEP(UNITS) = ???? TIME(UNITS) = 7???

ITERATION = ?? STEP(UNITS) = ?777 TIME(LNITS) = ????

SNAPSHOT 2... TIME(UNITS) = 77??

ITERATION = ?7 STEP(UNITS) = ??',;7 TIME(UNITS) = ?7?7

ITERATION = 77 STEP(UNITS) = ?777 'rIME(UNITS) = ????

4.4, TRA NSIENT-FLOW tt YDROLOG' Y MOD I:LE (D YNA M ICS) 215

where the question marks a,re replaced by al)propriate Ilu_lbers alld t,lle word I.jNI'I'S is rel_laced hya,ppropriate (.ime unit:s (ded_tced froill (,he l,ilne-conv,_,rsiol_ l,.mu). 'l'lu, It,eration st,atus r,,l,ori, iswritten every ten iteraCiolls of I,he Iliain calctllal, io,al loop, or wheJ, a tillle :mat_sl_ot is r_.act_ed. 'llJ:,st.atus is reported at, the end of the t,eut, li t,inw_ il_,!';,ii_,l_:S'ILI' i_ I!,,_a ll_,t_l_i,c,t l,i1_letidal, I,Ile tellt.t,itera_t,ion stepped; 'rIME in the I._robleni I_illlcat t.he elld of that telltll it,eratiou. 'l'he sllat,sliol, sl,at,usmessage is writ, ten when tile bouud_ry condit.ions defined I_yt,t,_ t,ilim sllapshot, t,ake cfli,,'_, a,t wl_icl_point, I,he results are, writ,ten to the out, put-lisl,ing and plol,-da,ta files.

Dynamic-flow calculat, ioas begin at t,he time of the first, tilne suat)st_ot, usually 1,into O. I)YNAMI(),Shas an automatic timestep control tl_cctadjust,s t,h_:,t,itncst,ep fbr every itcrat.iol_, im;ludil_g t,he lirsl,, 'l'lleautomat, lc timest, ep control a,llows each tj,nest, ep l,o increa,sc a, l_a.xiI_m_ll of 1.,5 tin_es 11_¢.I)revic,ust,imest,ep; and it allows each l,itnesl,ep to decr_'.a,::;ea lrlztxilllUtli of' (.).t;17_'lil_l_"Slt_e previc_t_,_t,i_lwstel,. Ifthe aut, oma_t,ic tirl_eStel) cent,roller calculates a l,i_lle.:,tep less (,tl;t, ll (.).()(JT t,itl_es (,It(', pl'eViOlls l,iu.;'step, al_instability is indicated. ACthf,-: l)oiltt_. /)YNA MtCS I>acl,:sIII:,;_ll,.trt:._;dct_Jat,_..stl_t:' I)rt,x'ic)us iler_ttioltwith a, reduced l;inlesl,ep. I)YNAMIC,q then us_,s t,tlis r,.xluced !,il_,._:;l,,:'l)_,s t,l_e _a, xilll,_ln a llowa,t_k, forfive more iteral_ions. 13YNArVlI(I_;also I_acks up i_l l,hi:__:_aull_,_wl_,,_ _¢)i._. tha_ teu N_v,,I,o_ il,crat, io_sare needed for c.ouwert!;enc_:in a giveI_ t,ill.estep, When tlm t,it*,_eStel)ca tl:._¢'s_,_1('I,r(,blelll l il_l_,tc.,_,xc_,,.'da. snapshot, t,ime, t,he timestep is adjusted (in 'f'M(;N'I'L) so tllat l,l_c prol)h:II_ t,ill_e in (.,qual t,o thesnapshot time.

The t.imestep is presen_,ly b_sed on the qual_i,11,ies/li'I;" a_tl t/,/'l;;,,l_ltit._lied I_,,'._,1_(_l,ill_est,et, fa_,.'h)r.The first it,eral, ion uses a Courant condition I.o deI,er_ine the t,i_esu, t), because til,, t,ii_. _deriw_,l,ives t,f.K and 'd/ _re not yel_ aw.tilable to I)YNAMI(;S. 1['I)YNA. NII(IF; spc_ds a sigl_iiicaut, aI_oul_t of lil_l¢,backing ti l) and recalculat, iu/ t,il_mstel,s, it, Ina 5' 1.: t,cc..,ssary tc)i'eI'_,_, t,l._ _"al¢:_}ati<)l_wi_,h a s_allt.rtilnestep fact,or.

When the problen_ t,in_e reaches tile t,i_._ of t ti_' [il_;-cl.;lla.l:_sht',l,i,lt_' calc_lal, iol_ ct:_,s_,sal_d 1,]w i'¢_ll,.)wi_gmessage appears on t,he user's l,erlnil_al:

NORMAL DYNAMICS TERMINATION

C.onCrol is the_ ret,urm,d l.,ot,he 'I'()SPAC Sll 1);1_1_a,,ld t,tw 'I'OSI'A(', i_,ai_ _l_en_ al._pc_m.__,ll tl_e user'st,errninal.

As wit,h STEADY, it, _nus'/, be st,ressed tha.t _ 1)Yb/.,\ .MI( '>;,_soluli¢,r,I_ay I_(,t b_' acccpl,al,lc. Andunfortunately, t,here is ao foolproof indep_lld,._t ctleck o. tl,,'solul,icm (r(,i_lcn_be,r. in S'I'I'_AI)Y l,l_. fluxshould equal a constant). Tile user should ct_eck 11.., flux l_lots for evi_,lel_ceof i_sl,at_ilil,y or I.)nt)l,ysicalbehavior, The user should check t,he l_a.ss I.)alal_c_,ret,ort:,(l ill t,he oUl,l_UI,-list,ing til<:;w:,ry lit,l,h.extraneous mass shouhl be creat,ed or losl by tile ca lcula.tio_. Oi,her ways of ct_ecking a s(dution ar_possible. 'Fhe user is advised t,o read t,he description of the _aI,henmticai _o¢lel iii I)YNAMI(',S il_Volume .I, Neel.ion 3.1 of t,his User's Guide ofIi:rs iuf'or_laii¢:,il _._llchecki_g cl_eacc_.lracy of a. calc_lati,._ll.

'21(i (..?ftA P'I'Et_ t, GI'_NI!;RAL, l_,l'_Fl',l_t';N('l¢

4.4.3 DYNAMICS Restart Capability

'I't,e purpose of the restart capa.bility is to reduce tl,e cost, of a DYNAMI(.I',S calculatio,l by allowif,g 1,t1¢-'.user to extend a previous calculation or (.o clla.,lge zt previol_s c.alcula.t.io_, without re.ca.lcula.tillg ali o['the rcstlll,s.

I'Lesta.rt Cnlmbility is accessed through the resl._:_rt-sna,l,shot da.tuJll in the (!OilStl.l_llI,s block erahydrology iilplll,-da_l,a, file (Section ,1.2.(i). i[' tile restart sll_tf)shot iS specilied to be 0 (sr 1, I)YNAMIC, Sdo(,s xtot a.t.tenll)t, a. rosl.art, lt' the testa.rr, snapshot is greater than 1, when DYNAMi(.',S executes ii,al, l,,_tut_l,st,o read a. ])lot-data. file ft'ore a. l)rcvious exec.utioll (nimrod either by defa.ult ()r iii th(_ tiltI)lo('k.... ,.qecI.ioll4.2.11). II' the file does not, exist, ali error results. If the t)lot-dala, file is _tvailat)le,i)YNAM1C, S al,templ,s 1.orea.d the resl,a.r(, nunlber of slml)shots. II'(.lie tile contains less (,ha)l t lw. r,_sta.r(,llUlll])ttr ()j'Slla, l)sho(,s , ii,li error results. Wllen I)YNAMIC, S lla.s rea.d the spe_cified number of s,l_q)sl_ots,execution begins at i.l,e tim(:,,snapshot, in t,l,e }:)ouv,d_try-collditioli block (Section 4.2.10)l.llatcorresponds to i,he restm't-sxlapshot nu,,lber.

'l'lle user is cautiolled to clleck that the materials, geologic units, alld nlesh are Llle saixw ill the oldinput..-(lata [iii, (the file used to produce tile existing l)lot-del.ta file) ;rod tl_e new input-data file.I)YNAMI('.S ¢toes not check tbr consistency I)etveeen t l_eold re'suits a,_d the new calc_la(.io_. 'I'he newinput-darn, file should I)e identica, l 1,o l,he old i_l)ut-dat, a file c.xccpt, for t.l_e tBllowi_g: in t.he co_sta.l_t,sblock, l,het, il_est,e t) facl,or, the in_plicitness ['act.or, tile (]W'["I posil.ic,_s, and (of course) I,he.resl.art-s_a.l)sl_ot nu_ber ca.n t)(;ditrerenl,; in t.hc bol_i_dary-condition block, m_y s_apshol,s wil,h_u_bcrs gr(mt.(_r thaa_ or eqtlaJ to the restart llull_loe.rc_m be difr(_rel_t.;ii_ the file block, everyt.l_ing ca,_tT,e dilt'erc,_tl., except, t,lw I)lOl,-.dat,_-lile nal_le.

Wt_cn ,'.l.poled-drain bou ndm'y condit.ion is used i_ I)Y NAMi(:S, additional t,i_ne Snal,:.dmts n_ight, haveautc, ma.tically been added to plot-ria.ta file. A m_.ws_a.psl_ot is inserted if and when a t.)ol_d c(mq)letetydrains. 'l'he user is ca_l.ioned I,o check the, Olll, l)ul, frolll (,he previous calcula.tio_, ca.refi_lly to _tote ,t_,,,added tinle snapshots, ;tied to take l,heln into a.ccount wh(qt det.e.r_it_ing the rest,art, _mmber, otherwise(.l_erest.art t,i_e sna.pshol, _igl_t not correspond to the eXl)ect.ed ti_tt(.'snapsb.ot,.

4,5. CONTAMINAN'I_-TI_ANSPOR'I ' MODULE (THANH) 217

4.5 Contaminant-Transport Module (TRANS)

'l'he TI'LANS Inoduh.'. of'" _' _) '10,._1 A(., is used 1,ocalculate c'ont.antiKla.llt,(,rmlsl)or(,. 'Pl:lA NS solv(_s [',.r (llvconcentra(,ion of cont,a.lllina.nt,s in gromldw_Lt,er a.t.giw_n prol)lem (.ilJl('S.'I'I/ANS preselltly ('a.ll (,Iii,,,accept t;he hydrology r¢,sllll,s from STEAI)Y as inpu(: ....no(, DYNAMICS. ('l'his sit,Lla,t,ion could ('lla, llg(,

in fut,ure versions of '['OSPAC.) The TI_..ANS module uses n. fini(,e-diffi:r(,nc(: ,llet,hod, ditt'('re,lc('d :l.cross(,hree nl(.'sh points, 1,o solve (.he coupled mat.rix-['ractur_ (,ratlsl>or(, e(lua.tiorls ( Volum.c l ).

'['Ills sect,loll con(,ains a, discussion about, tile st,ruct,ure of the 'I'I/,ANS lnodule (Sec{.iol) 4.5 1), tbllowedby a. discussion o[' how to execut,e. TRANS (Sect,ion 4.,5.2).

4.5.1 TRANS Module Structure

["igure ,l.l,(.)cont,_:dns a diagram of the (,op-h,v(,l logical tlow of (.li(,'I'I_.AN,.S.',lloduh:. 'I"t_ANS I)(,gills I),,,r('a.,.ting the 'I'I_,ANS illput,-dat, a file iii subrou(,ilw 'l'X'FINl)'l ', and the hy_lrologic plol.--<lat,a, tih, (crea(.(,dby S'['|!;A I)Y), in su broulille '1'1NPT.

'I'It.ANS ilii(,ializes pal'a.lnei, ers and va,rial>les in subroutin(_ 'I'INTI,Z. l_cluded al'(::the it_i(ial valu('s ['(:)rt,ime., hy¢Irologic velocit.ies and mois(,ure col_(.el)(,s (calcula.l.,.!d in VI'2L(:AI,C.-.)_ol,(..'(,hal, S'I'I';AI)Y o)_lypasses pressure-head dat, a (.o 'I'RANS, I:)ecaus(, I)a.ssi)_g ali (,l_o(lal,a would )_mke the plot, fileprohibit, ively long, plus TRANS uses a different, detinil, ion c)f v(:locil.y and wouht have l.o l'C(';.l.[Cillfl.(.(,iia.ny,,vay), con(,a,nlina.nt, ret,a,rdat, ion fa.cl.ors (tt:l'Rl.)), conl, a._lli_)a.nl,disl>crsion coett:icienls (i)SPI:{.SN),

decay rates for radio)luclide conl, amina.nts, mid lnal, rix/fract, ure couplillg ra.t.(,s (I/.A'I't".,_).

'l'tw inil,ial probhml sel,).ll) is writ, tell l,o the 'I'RANS oul, put.-listi_lg tile and l.t_e 'I'I{,ANS l>[O(,-dal,a lile iiisu brou ti_m '1'lN'I'I,Z.

'_['he _),ain calculal.ional section of TRANS consisl.s of ()lit, i_mjor 1oo1>.'l'lm loop bcgi_ls wi(.t){.l_(:,ca lcula(,io_l of a tin_(:'sl.q> in subroul, i_le 'I"I'MC:N'I'I,. 'l'he (.il_lcst.cl) is added (,o (.lie l>robl(,t_ (,iIl_(_ 'll_(,new problenl (,illle iS t,lt('ll checked (,o der,ermine ii' a (.,in_(.'SnarpShot. l_as ))('('n _ne( c)r ii"1.11(,lllaxillltlllll.inle has b(_en ext,eeded; if yes, w_.rious flags are se(, (,o writ(: results, ('l)ang(:: boundary ct)l_dit,io))s, orpossibly, (.o ha.II, (.l_e t)robh:nl. Aft('r (,his I)ookkeet>i_lg, 'I'ItANS b('gil_s (.1_(,solul.ion.

'I'he (,oi,al cotll,anlillalll, inve_l.ory at, tl_e l>robletn (,ime is calculal,(-,d in B'I'MN, i_llnedial.tqy i'ollow,:_dbya ca.lcula.(,io_)of (,la(:a.tiic)unt of conl,a._i_i_la)l(,in (,he source region, in l)r('cil:>il,a,l,e for_ii, ai_d ou(.sid(, (:I)(,Inesh boundaries, i).xsul)routine IYI?MNSI(C, The "I3'I'MN" in (h(:' l_a_i(' of (,Ims(,subroul.ii_es rel'(,rs (.<,(,he Ba(,enm.ll equa.(,ions us(:d t,o evalua.t,e exponential (radioa.ct, ive) d(,cay.

'['he difference equations ( Volume I) a.re inq_lem('nl,ed in ,rat)foul.in,, 'i'MXSI!;'[' (.o consl.ruct apenl,adiagonal nrel,fix A a.nd an inho_nog<mous vector 1) (i.<,., the lira:at systen_: A. c --:--b). 'l'))e til'sf(,in_(_(.hro_lgh t,hc loop, (.lte init,iM condi(.io)_ co_lcenl,ral,io)ls are used (,o COllSl.l'll('(A a)ld I.). \,'_"i(.lli_TM KS li','I', (.he boundary conditions are. s(,(. i_ st)brou( ine l))I)flYM X, (.he colt(ril)u(,ion of l,l_(:,sou r(:(, isdeternfined in either subrou (,ine CO N(7;I,( :li (congrue.n(, leach), or suI-:rou (,ine SilC 1!3(sol tlbi li l.y-liItli(.('dlca.ch), or subroutine I.;Si';RSRC (tc) read a, source file), and (,he lin<tr sys(,eln is solved i_)subrouli_lePgNTA D. This solul, i(_mprocedure is performed for each conl._tlllillan(, species in each ctlaiu; t,hesolu(,iotl is the conc(_'ni,ra(.ion of each species iii each _ms]_ cell at, the l)r(.)l,lcnl t,il_e.

The new coi_centrat.ion values are checked in subroutine t)t:l.l!;C,lP tc)see if (,ll(,y excee, l the solul,ilit.y

, '_ ' i '¸¸ i_ i' _' _ "_ _218 CHAI-Yl'Et_ ,t (:,_NL.t¢AL RIA l__t_,.l!,N(_l_

--_ jr]

PRI iCIP

Figure 4,1.9: TOSPAC TRANS module strucl, ure,

4,5, CONTAMINANT-TI?.ANSPOR'I' MODULE (TRANS) 219

limits of the. various contanlinants, If yes, the excess is precipita, ted, The amouilt of cont mllittaut tllat,

crosses the upper and lower bouIldaries (i,e,, released from or e._:tere_l tlw donlaiu) is calculat.ed i_,subroutine lPlAJ XC,ALC.

At, t,he end of the loop, the time is checked. If t,he time ext,'eds a slm,pshot tin,:', the coIicelltrationsolutions and the amounts rele_:used fronl or elltered into tlm donlai_l are written to t,he oul,t,ut,-listilLg

file and the plot-data file in subroutine 'I"WI-l,l'rli:. Also, a lllilss-l)_.Lli.tI1Cec.alculal,ioll is llmde in

subroutine MSBAL to aid in determining the acceptability of t,lle st.,lul, ion.

Finally, al, the eltd of the loop, ii' the time is less than the ma, xilllullt sn_:q_sllot l,i_l_e, colll.rol ret.urlts I,othe next timestep cMculal, ion in subroutine 'l"I'M(71N'I'L. If l,he final tillle has been re_ched, tlwll t,lm

calculational loop halts, and t,he TR, ANS Illodule l,ernlinal.es.

4.5.2 TRANS Execution

'I'R.ANS is executed by selecting choice Zllllnb¢-'.r 4 when presented wit,h t,lle 'I.'OSPA(; n_ain nletlu:

TOSPAC VERSION 1.I0 MAIN MENU

O. STOP

I, INDATA

2. STEADY

3. DYNAMICS

4, TRANS

5. OUTPLOT

ENTER CHOICE:

'I'OSPAC indicates that 'I'R.ANS is execul.itlg with tlm followillg message':

TOSPAC MODULE TRANS

At this point, TRANS asks for the nalne of the. input-.data file:

ENTER TRANS INPUT-DATA FILE (DEFAULT=TFtANS.DAT):

If the input-data, file does not exist, azl error message results and tile l)ronlpt is repeated for amaximum of three tilnes, after which control is returned to I.he 'I.'OSPAC S II E I, L and the 'I'()SPA(:

main menu al)pears on the terminal screen.

If the inlmt-data file exists, TOSPAC reads it, and infor_ls the user:

READING INPUT-DATA FILE i'apul,-dala_fiie_'name.

Errors or inconsistencies in the input-dat;_ file are discussed below,

If the input-data file does not contain a file', block (Section .t.2.11), TOSPAC pro_npts for t,he nantes ofthe input file and two output files:

220 C'ttA I_'I'I!H_,4, C,t,NLRA L I_EFI!_I_,,t';NCE

ENTER TRANS PLOT-DATA FILE (DEFAULT=TRANS.PLT):

ENTER TRANS OUTPUT-LISTING FILE (DEFAULT=TRANS.LIS):

Default file names are handled similarly t,o t,he method use.d by S'['I,]ADY, Section 4,2,2 ('.onl,a.ills adiscussion of defa.ult tile nanles. Section 4.2,2 also conga, ins a discussion of creating multiple files withthe same name.

Ifa file block is present, iu the input-data file, 'I'FtANS reads t,he hydrology plot-data file and creates

the out, pul, files:

CREATING TRANS PLOT-DATA FILE plol-dala_[ile_'n, am.e.

CREATING TRANS 0UTPUT-LISTING FILE oulpul-list.i,.(j_fih:_namc.

READING STEADY PLOT-DATA FILE h.yd'rolorjy_plot-data_file_na'mc.

If the inil, ia.l conctit, ion is specified in t,he TRANS inpul,-data file as a. file, another st,at, us message

indicai,es tlla, t the init, ial-condition file is being read:

READING TRANS INITIAL-CONDITION FILE inllial-coT_.dilio_..file_'l_.ame.

I[' the '.I'I:[ANS input-da.l,a file, the S'I'I);AI)Y plot-data file, or the illil, ial-condition file contain errors orinconsisl, encies, one or _nore (_rror _nessages will al)pear on the ter_nit_al screen, Any error ('auses 1,he

int, errupl,ion of TI{A NS; conl, rol is then returned (,o (,he TOS PAC', S II t};i,I, and (,he TOSPAC, main

r.llentl appears on tlm (.erlninal screen,

After t,he iltl)Ut., and oul, l)Ut file names _re delined and if no errors ha.we been registered, 'I'I{.ANS enters

l,he calc.ula.t, iollal loop with t,llc following report:

INITIALIZING VARIABLES..,

BEGINNING TRANSPORT CALCULATION,,.

SNAPSHOT I.,. TIME(UNITS) = ????

ITERATION = I STEP(UNITS) = ?7?? TIME(UNITS) = ????

ITERATION = I0 STEP(UNITS) = ???? TIME(UNITS) = 7?77

ITERATION = 20 STEP(UNITS) = ??7? TIME(UNITS) = ????

ITERATION = ?? STEP(UNITS) = 77?? TIME(UNITS) = 77'??

SNAPSHOT 2.,. TIME(UNITS) = ????

ITERATION = ?? STEP(UNITS) = ???? TIME(UNITS) = ????

4,ft, CONTAMINANT-'.I"IPANSPOI_.T MO.I.)ULfi3 ('.I'RANS) 221

where 1,he quesl, ion lrmrks m'e repltu',ed by _q,proprit_t,e nunlbers mid tile. word UNI'PS is repl_c,ed byappropri_:_t,e t,ilne units (deduced t'ronl t,he time-conversion Illenu). 'Pile it,erntion si,_t,us reln._rt iswrilA,en every l.en it,er_-_l.ionsof t.he main c;dcul_._t,ion_d loop, or when _ I,i,,u_sll_t_shol, tl___soccurrc_l, 'I'1._sLat,us is reporl,ed al, 1,he end of t_tle t,ent,h lilly,; iter_._t,ion: STEP is t,he _:_lltotllltof time l,h_:_l,the tetll, hit,er_t,ion st,epped; 'FIMI!3 is I,he l)roblerll t,ilne _t, t;he end of l,hal, l.enl,ll il.er_t,ion. '.I'he snapsl-lot sl,_.l,usrnessal,ge is writ, fen when t,he bound_,ry condil, ions defined by the tin,.', sl_npshot, t,ake ell'etl,, or wh(,_ t,tteresult;s are, wril, l,en 1,othe out,pul,-lisl, ing and plol,-.da,t,a f[le,_,

'I'r_:_nsport;ca.lcul_t,ions begin a.l;the l,ime specified for the (irst l,inle sn_:t.I)shofin t,he bounda, ry-coi_lil,io_block of t,he TRANS il_l)Ul,-d_l,_'_tile, l,ypict_lly l._roblen_ Lin_e 0. 'I?I:{ANSl_s t_._tm!.,oln,_xl,ic l,il_cst, epcontroller t.hal, a.djusl,s (,he t;imesl,ep (bf' ew, ry it,erat, ion, including l,l_e,first.. 'l'he l,imestep conl, roller usesl,he collcenl.r_.tl,icm divi<led by 1,he 1,empora[ cl_:rivg-tl,iwe of {,lie coricel_trat,ioll li,he (lu_ml,il,y (,'/([7)mull, iplied by i_ i,iinest,el> la,ct,or, The timesl,el_ factor c_lllllOl;])e _d,iusl,ed by the user,

When the problem t,inm ret:Lclmst,he t,i_e, of t,he final SllapS]lOl,, t,l_e<'a,lculn{,ion ce;_ses m_d l,l_v folh.)wi_gnmssage at)pea, rs on 1,he.ttser's l,ermint_l:

NORMAL TRANS TERMINATION

Control is then rel,urne_l t,o t,he '['OSPA(', SIll!ILl, _.mdl,he 'I'OSPA(', i,l_i_, _nenu tq_l)em's on l,l_e _ser'ster_nin_l,

In genertd, ;a.t,r_nsporl, calculation does not involve Lhc highly nonli_ear coellicienl,s oi'tr pt_rt,in.llysa.t,ura, t,ed tlow c_dcu[_.l,io_. '.['hus, 'I'[:{,ANS cm_ be expected to run _nore st,_tbly l,[mn S'I'I!',AI)Y orDYNAMICS. Nut_eric_d dispersion, a nulnerica.l problem l,ha,t; ca,uses sl_rea.di_g of a collccl_l,raliollfro_t,, can occ_r, howew_.r, Tlm user i!_advised t,o read _d;_out,the mathe_/mt, ical model for TRANS in

VohtT_,cI for more int'orlnat, ion. ']'he user should sl,iii carefully check i,l_e resulls for nOnl)hysic_dbehavior le,g., negative concenl, ral, ions, curious spikes in concentral, io_). Also, l,he user is advised I.oconsider whethe, r l,he ina.ss b_d;.mce reporl, ed in l,he 'I'I{,ANS out, put,-lisl, ing file is _xccepl,_l>lefc,r l,lteprobh:n-_ being solved.

222 CIfA I._'I'.EI_,4, GENERA L I?.I_'I_'I_If,I','NC'I_

4,6 Computer-Graphics Module (OUTPLOT)

'I"OSI:'AC, illcc,rpor_:Ll,c,_;l,wo m,,t,l_ods For pre.qetktinI': results t'ronl the calculaLional modules: output

listings mid conlputer gr_-@lics, l?;xample:-;of the oui, put listings are giwm in Figures 2,5, 2.6, :3.3, 3.22,an,:l 3,21_,

The alnoullt of outpu.t ['or a. given prol)lenl call be so large that ii, becomes difficult ['or the analyst 1,o

assess, TOSt'A(.', circuIlwenl,s this lilnitat, ion by having ext(,nsive colnpuLer-graphics capabilities, 'I'heOII'I'PI, O'I' rnodule of 'I'OSPAC, is used 1;opl'odLlce colnputer graphics, specifically two-dimellsioxlaland t:ltree-dillmnsional, I:)re.I'orlnal,ted plots. A t,ypical OU'I'PI/)'I' run proceeds as follows:

1) u,_ing O I.I'FPI,O'1', the u,,.;_;rconsl_ruct,s a. plol-deJiuilioT_, file (default name O UTPL()T.I:' [)Ii'):

2) aft,ev the Ils(:;renters the plot dcfillit,ion:',, O l.lq'Pl,O'l' rca(.ts:.;the plot-defiilit, ion file it has just,cre,at,cd and (:ollstructs l:he pl(.)t,_in a graphics-driver file ((le[`ault lJtmm OI./'I'PI,OT,DIW);

::_)a[`t,er the 'I'OSPA(', session is l,erlninated, the user submits rh(, gral_hics.drivcr file t,o a,n outputgra.pllic,_ devi('(...

The purpose of the l)lot-(l(,_finitkm ti!c. is t.o allow OUTPIL,OT to process (.he plots msefficiently asl.)C.;ssiblcalid l,,.)allow the u,_er tr, easily rC'l)roduce plots. [li this reg_rd, plot-deiinition files can I:)(_co_lligured tc) opcrat, c o_lly on specific plot-data, files, or they can be configured to operat.e on anyplol,-data [ile (l'ronl a given 'I'OSPAC ,nodule'). Plots ['or STEAl)Y, DYNAMICS, and 'I'RANS results,,'ml be _lefined in a single plot-definitio_ file. As wil,h an input--data file, a plot-definition file can be

created and _K:,dified with a text editor (Section 't.7.12).

Detinition of the l)lots in O U'rPLOT is a_alogous to definition of input data in IN I)A'I'A. OUTf'[,O'I _and IN I)A21?Aboth creat, e data files organized according to data blocks. ()UTPLO'I? and INI)ATA

difli:r in two aspecl_s. I"ir:,_[,,OlJ'l'PbO3' has no (:apability t,o modify plot-definition fil_,.s;ii, can onlycreate a new plot-definil, ion file, or at)frond new plot definil, io_s to an exist, ing plot-deiinition file.Se(:o_d, OUTI'LOT ha_ldlea de[`aulI, values ['or plot parameters differently than INI)A'I'A handlesdel'aull, values for' input da.ta. OU'I'I_I, OT has no provision for supplying file-specific defm_lt a_swers l,ot,he prornpl;s used in the plot, definit.ion,s. 'l'he default value for a plot, parameter in the plol,-detinitionfile is the word Df,31_'AUI/['.The acl;ual w_lue is calculated during constructioll of the graphics-driverfile (Seci,ic.m 4.6.6), The user may not l)e certain of any parl;icular de.faull, wdue al, the t,inm,of plotdefinition: the advant,_._ge is that 1,he plot-definition file can apply to a number of plot-data files; l,lledisadvantage is that the plot,s may be a surprise t,o the user.

'rbe graphics-driw?r file is in a format that can drive a graphics device (i.e., a plotter or a. printer withgraphics capal)ility). The graphics-driver file ca_,r_.oldrive just an// computer-graphics device, becausedevice languages are not standardized, The graphics-driver file must be submitted to the graphicsdevice that was indicated when _I'OSPAC was installed on the user's computer (Section 4.7.13),

Some implementations of TOSPAC may draw t,he plots on the user's terminal screen as OUTPLOT isexecuted. Whe i_plemenl, ations of TOSPAC t,hal_ produce plots directly on the user's terminal screendo not produce a graphics-driver file. Some implementations of TOSPAC may produce m._intermediate-output graphics file that can be postprocessed to either draw tlm plots on the user'sterminal screen or be sent, to any of a number of graphics devices, Alternate implementatioris are notdiscussed furl:her in t,his Guide.

' ' ] " , 223,t.6. COMPUT1F, R-GRAf tlI(,S MOD[ LE (OUTPLOT)

'I'OSPAC comput,er graphics are generat, ed using f,he (/A.-I)ISSI'I,A tz,ral_hics soft, ware pa.ckage ((;A 1,

1989). Contact. the Authors for inforrnat,ion on what. can be done _I your cofnpui_..r sysh,ili does nothave DISSPLA.

Tills section contains a discussiori of l,he sLrtlct.tll'(? of' lhc OII"I 1"t,0'l lllO<i,.ile (S,'cli,)II 'l 1), l,:,ll, w,'¢,i

by a discussioli of how {o execute OUTPLOT. The discussion of how to _+xt'Cill.e (.)[J'.t 1_1(J't' i.;,'v;iu_;with an overview (Section 4.6.2), and includes discussions of defining ploi,s tbr resuli.s frolii S't'i,;AI.)Y(Section4.6.a), DYNAMICS (Section 4.6.4), and TRANS tSecdon 't.($.b7. A i',.irt.iwr des,:ril_li,_n of _tl<-

plot,-definit.ion and graphics-driver flies is colit.ained in Sectioii:+ ,1.7.12 ali<l ,t.7.!;i., r,'sl,eci.iw?t.y.

4.6.1 OUTPLOT Module St,rilcture

A diagram of t.h.e t.op...level logical 1io_, of t,li,, ()U"I"P[,()'] illoduie is Iir,:s_.ill,.,d iii i igul_: -t.211.

Figure 4.20: TOSPAC OI.1TPLO"I rrlodille st.rti,,'ltl;(,,.

O UTPLOT begins by asking l.he user for the narlle of the plol..definit.iori file iii slll)roul.ille NAM FPI)F.If the file do,es not. erxist,, ()IL_'I.'I/_I,OT treat.es ii.. If it. d,.w:s exist, O t; 'l'P l,( )'I" pro<:eeds to tllo end of Iii(::

file t.o append new pl.or, defiriit.ions.=i

224 CHAPTEtg 4. GENERAL t{EFEI_ENCE

The OUTPL.OT main rnenu is presented next,. OUTP1,OT is designed to operate in the interactivemode, It,s organiza/,ion is based on t,he plotting opt, ions for each calculat.ional module in 'I'OSPAC, 'I'het,op-lew_l lnenu allows t,he user t,o choose which resull, s are t,o be used t,o define plots (choices 1,2, and 1_on the OI.ITPI.,OT main menu) Each TOSPAC calculat, ional module .......STEAl)Y, DYNAMICS, al_d'FI:_,ANS......then has it,s own specific ploi, opt, ions controlled by it,s own specific submodule.

The user can piace definitions for STFADY, .DYNAMICS, and T|t, ANS result.s in a singh_plot-definitiort file. 'l'he user can also construct more t,han one graphics-driw._r file it, a single session.

Wit, bin each OUTPI_OT su|)znodule, the plot.-dat, a tiles that, cont,ain t,h(, result,s t,o be plot.fed can bespecified. Specifying a plot,-dat, a file is oplional and the capability t,o do so is included to allow an auditt,rail. The t.ilne-del)etldent nlodules, DYNAMICS and 'I'RANS, have plot,s showing ditferent, t,inie linest.o allow t,l_e user to follow t,he course of a calculat, ion. 'I'hus,OUTPI,OT only allows one I)YNAMICSor TRANS plot,-dat, a file t,o be specified at. a tinle. For STEA.I)Y result.s, OIJ'I'PI,O'I' allows ph)ttingresult,s for more than a single calculation on each plot, In t,his way t,he user can examine changes illvariables at, different, steady-state condit.ions.

Figures 4.2l, ,i.22, and 4.23 show t.he logical flow of submodules wit.bin OUTPLOT t,lJat allow t,h,' usert,o creat,e plo/,-definit.ion tiles for STEAI)Y result.s, DYNAMIC, S results, and TITANS results,respectively. For ali t.hre,_ submodules, a nlenu is first, presc._nt.ed. After tile user makes a menuselect.ion, control is pa.ssed I,o a subrout, im.. t,hat, proml)tS for inf'ormat, ioJ_ :specific t.o the requested t)1ol..2ks t,he subrout, ine acquires the input, data. it, writ,es a block of dat.a onto the plot,-definition file. Whenno more plot,s are to tm defined, the submodule terminat, es and control is ret,urned t,o t hc_OU'H_IX)Tmain mentl.

When OUTP[,O'.I' act,ually const,ruct.s plots (choice 4 on the OI,JTPLOT main m_nu), it. does so frc)iainformation oil t,he i_lot.-definition file, Thus, the user can create a plot,-delinit, ion file on a text. c_dit,orand t,hen t,_ll OLITPI,OT t.o construct, plots based on this file. OU'I"PI,O'I" const, ruct.s ph_t,s by ma.kinga graphics-driw?r file t,ha.t, is sent to a colzlputc:_r-graphics device t_oproduce the hardc_q_y. Figure .t.24present.s t.he st,ruct.ure of the submodule within OUTI'I,OT that, collst,ruct.s the graphics-driver file.

Within the graphics-driver submodule, l.he current plot-definition file is read in subroutineG IIA P tl [)ltX:. After (2;[t.A Plt I)ltV ha,s det,ern kincd wh_,t,her STEA I)Y, I)YN A MICS, c,r 'I't:t.ANS r,::sult.sare t,o be plot,ted, plot, blocks are read from the plot,-definit, ion file, using stlbrol.tt,ines SPLOT (for plotsof STEADY result,s), DPI,OT (for plots of DYNAMICS result.s), and TP[,O'[" (h_r plc,ts of TITANSrestllt,s). Once a plot, block is read, control is transfer¢.d to the appropriat.e subroutitle, t,o cotl_Iruct, theplot in the graphics-driver file. At. this t,ime, if no plot,-data til,, ha,s t_een d_,tined yet. (that. is. ii' NONEwas ent.er¢,d for t.he plot-dat,a file name wl_¢.,nthe plot,s were dcfi_,ed.....see S¢'ction .i.6.3), t.t_:'_tOUTPLOT pro_pl.s for the plot,-data file(s) to work from. The plot. su.brout.ilw reads the plot-dat.a fileto ext,ra.ct, t,he dat,a t.o be plot,ted. When lhc subrout, ine begins work on a particular plot., a stain,,,_nessage is writ,ten t,o the user's ternfinal screen.

An error in the plot-definit.iort file causes d_e plot block to be skipl:._ed;('xecutkm cont.inues with lhcnext plot. block. A_t error in th,, plot,-data file can have one of t.wo result.s: lr' tt_e error is mi_or .... fk_rexample, ii' t,he file is incomplet,e because of prematttre t,ernfinat.ion of' thf' flow or t.ransf,,_rtcalculat, ion ......then the plot, will be c¢mst,ruct,ed wit.h the iuformat.ion available. A me:ssag¢;,is print¢,d t_the user's t.erminal screen warning t,hat, t.tte result.s may t_e in error, [f the err'c" is suf"t-iciently sev¢,r¢_,it,nay be impossible t.o construct, a plot at, all, in which cz_,s¢,a tne,,.._sageis writ,te_l t,o t.l-_.¢_us¢,r and cot,trolis trartsferred back t,o (3 RAPIIDtl,V.

After ali the plot, blocks for apart, icular calculat.ion _,,vpeare exhausted, or in the oas,., of a severe err(:,r

4.(i. COM.t- U_IER.-(JtL4 f HICS MOD[ LL (OUTPI, OT) 22,5

--.7.1--OUTPLOT (STEADY RE_ILTS) t_EtIU

(_ STOPt, PLOt MESH_TRATIORAPH¥

IL PLOT CI-_FULCTEFIIST)C CI.JI_.'E _._L PLOT COItPO_TE CONDUCTWITY ANO CAPAC_ANCE OUFWES

PLOT PRES_JRE HEAD VS ELEVAIIONEL PLOT SATLI_IATION VS ELEVATION

lE PLOT FLUX VS ELEVATION7, PLOT VELOOITV YS F.I,FVAT)ON

lE PLOT CONDUC1WITY V$ ELEVATIONIt. PLOT C_I;IACII'ANCE VS ELEVATION

IKL PLOT TI:_VEL TIMES

E.NIER CHO(CE:

gE! YES

- /" i -_- DE_t_ESH%, _a!_,} .-

r-; ]_ll,,. FCURV I_"

• co,_ =

.o ._.

<<,, ,,

Fiicure 4.21: St,ruct,ure of submodule to define S'.FI_;AI)Y plot,s.

226 CttAPTER ,I. GENERAL REFEIIENCE

OUTPI..OI (DYNAMICS RESUI,-T_) MENU0, STOP1, PLOT MESH_STRLATIGfI.APHY

2, PLOT CHARACTERISTIC CURVES3, PLOT COMPOSITE CONDUCTIVITY &NO CAPACITANCE C_S

4, Pt.OT PRESSURE 14EAD VS ELEVATION5. PLOT SATIJI:_ATION V$ ELEVATION

6, PLOT FLUX VS ELEVATION7, PLOT VELOCITY VS ELEVATIONB. PLOT CONDUCTIVITY VS ELEVATION

9. PLOT CAPACITANCE VS ELEVATION10. PLOT SATURATfON VS TIME

II, PLOT WEIGHT V5 TIME

ENTER CHOICE:

YE! YES

N)j,,.

NOyYE._

Fi.cure 4,22: Structure of submodule to define DYNAMICS plots.-

4,6, COMPUTER-GRAPHICS MODULE (OUTPLOT) 227

OUTPLOT (TRANS HESLA.TS) MENU

0, 6TOPI. PLOT IdO[SY UFt_ GONTENT V'E ELEVATION

2, PLOT VELOCITY VS ELEVAT_C_3, PLOT DI_,PE.HSFON COEFFIQENT VS ELEVATION4, Pt,.O'l' RETARDATION V& ELEVATION

5, PLOT COUPt.IHO CONSTk, NT V& ELEVAI1C_6, PLOT CONCIENTI_JETION VS ELEVATION

7, PLOT CONCENTR, AITON VS ELF.VATION VS '1'11/_E(3.'t'))li, PLOT CONCENTt'UETION Vr5TIMEB, PLOT HELEASE V5 TIME

ENTER CHOICE;

YES YES L

< _-_ =o,,! .

Figure 4.23: Structure of submodule _o define TRANS plot,s.

228 C:HAPTER ,t, , , T_ '_ ;, , , , ,_GI_,I_ERA L R,Lt EI{,EN(,L

Figure ,1.24: Structure of stibmodule t,oconstruct the gr_H)hics.-driw:r file.

4,6, COMPU.IER-(.,I_,AI- ttlGS MODULE (OUTPL()T) 22!)

as just described, cont, rol returns to G RAPIIDIW to lind another grout, of STI!'AI)Y, I)YNAMI(.',S, or

TFIANS plot, definitions. If no oLtter group of plot, dcfinit, iolls exist.s (i.e., the enel of' tlw plot-d,_finitio_l

file has been reached), FIN ISIt is called to con_plet,e the graphics-driver lile, and control is ret, lirned tothe OUTPI, OT main ,nenu.

4.6.2 OUTPLOT Execution (Top Level)

Ot.JTPLO'I? is execut,cd by selecting choice nulnber 5 w,tmn presentc(I with the "I'OSPAC, IImil_ lrlol_u:

0 STOP

I INDATA

2 STEADY

3 DYNAMICS

4 TRANS

5 0UTPLOT

ENTER CHOICE: 5

'I'OSPAC indicates OtITI:'IXYF is exccut, ing with t,l_.' following nwssag_;:

'l'he first prozupt, issued by OIITPLO'I" is for the nal_Je of a I_lOl,-<l_'[itlil,iorl lile:

ENTER OUTPLOT PLOT-DEFINITION FILE (DEFAULT=OUTPLOT.PDF):

Accept, al:de file names arc discussed in Section ,1,2.2. 'Fhc user mu,sl enter a.n a.ccepta.t,h? file xta.Ille (or a.<Cit'.> for the def;-ullt name), or aft,ct t,ltrc.e i_lvalid responses col_l,rol is r_'l,urlled 1,o l,h_' 'I'()SI_A(: _,lailiIllellll.

If i,he user e.nt,ers til<'natne, of a plot.-d_tinil, ion tile 1,ha.i, does not exist., a new tile is cr_?al,ed, If 1,h_:,

plot-definition tile does exist, the user can append new plot &,fil_itio_ls [,o il,. No provisioii is ,lmde for

modifying or deleting da._,a already in a plot,-definit, ioll file, ModiJica/io_.s must t,e l;czfor'mcd 'u,si';;.:latc,rr editor.

If the plol.-deiinition file does not exist, OU'l'PI,O'I' r,q)o)'ts the tblhm, ix_g:

p/ol-dcfin*tion.file__.a.mc DOES R0T EXIST...

CREATING plol-d@"_t'_tion_filc__an_.c.

If the plot,-detinit, ioli til(, does exist,, O II'I'PLOT reports t,lie tbllowiiig:

plol-defi;litio_l_file__ame EXISTS...

Whether the plol,-detinil.ion file exist,s or not, OUTPI,()T _ow displ_ys l lte OU'I'PLO'i" _rmi_ I_e_u:

230 CHAPTER, 4, G.I(Nt_t_,AL t_L_ LR, LNCE

OUTPLOT MAIN MENUO. STOP

3. DEFINE TKANS PLOTS

4. CONSTRUCT GKAPHICS-DKIVEKFILE

ENTEK CHOICE:

Entering achoice of()rettlrllsl, he user tothe TOSPACnlainmerm,'l'he [bllowing subsectionscontaina discussion oi'each ofthe other choices, in order.

4.6.3 Define STEADY Plots

Entering a choice of 1 in response to the Ol_l'I'Pl, O'lT'main Illenu allows the user to define plots forSTEADY results. Plotting of STEADY results begin,_ with ide.nt,ific_tion of the STEADY plot-datafile(s) that contain the results:

TIle default, answer imi)lies that the plot-definition til(: being created will work with a general plot-datafile (any STEAI)Y plol,-data file). If tl_e u:_,r wants t,t.,create an amdit trail for a specific analysis, theu,ser c.an enter the name of a STEADY l:,log..dcfinitioa tile and OUTI:'LO'F will use this plot-definitionfile only with the given plot-data file, with the exception given below.

OUTPLOT allows more titan one STEADY plot-data file to be specified. If the user enters the name ofa STEADY plot-data file, the prompt is repea'ted, and the prompt continues to be repeated until theuser finally answers NONE. Note that ii' the user answers NONE after having given one or nloreplot-data file names, the NONE no longer implies a general plot-definition file; the plot-definition file.will only work with the given plot-da.ta file,_. II"more t,han one plot-data file is specific,d, the da.t_ fromca.eh file are included on any given plot (where feasible .....some plots are not conduciw' to multiple setsof' data), ttence, results of w_rious problems can be directly compared and the number of plots reduced.

Thus OUTPLOT repeats the plot-da.ta file query until the user runs out of responses:

ENTER STEADY PLOT-DATA FILE (DEFAUI,T=NONE):Jilc_name_lENTER STEADY PLOT-DATA FILE (DEFAULT=NONE): file_n.ame__

ENTER STEADY PLOT-DATA-FILE (DEFAULT-NONE): file_namc_3

OUTPI;O'I' can ha.udie up to ten STEADY plot-data files at a time.. The STEADY plot-data tiles thatare combined in this manner should probably be based ozl the same stratigraphy and have the sameealculational mesh, otherwise t,ile l:*lots might not make: sense.

OUTPLOT does not read the plot-data files at this time; they are only read during the construction ofthe graphics-driver file (Section 4.6.6). OUTPLOT ha, no provision for supplying file-specific defaultanswers to the prompts used in the plot definitions. The default value tbr a plot parameter in the

4,6. COMPUTER-GRAPHICS MODULE (OUTPLOT) 231

plot-definition file is t.he word 1)EFAULT.

If more than one S'['EADY plot-dat_ file w'r:_sm lt,ere,d, OUTt'LOT next prompts for ali over_ll fit, le 1,o

use on _,he plots:

DEFAULT TITLE: TOSPAC Steady-State CalculationENTER PLOT TITLE:

Normally, OUTPLO'I.' uses the title given in the title block of the input,-data Iii(; as tlm title for each

plot. Itowever, when several STEADY runs are to be combined on a single plot, rath_r than use one ot'the titles, the user is given the opportunity to specify an overall title to go on the plot. '['he l,itles fromthe individual STEADY files are not used.

Otl'rPLOT now displ_:tys the STEADY-resuII, s mellu out, ll{'. user's tel'nli,lal screen:

O. STOP

3 PLOT COMPOSITE CONDUCTIVIT7 AND CAPACITANCE CURVES

S PLOT SATURATION VS ELEVATION

10. PLOT TRAVEL TIMES

ENTER CHOICE:

'l.'he choices are as follows:

0) Return t,o t,he OUTPLOT nmin menu.

1) Plot the mesh trod stratigraphy tbr e_ch plot.-data tile entered; exalilples of these plots _tre given

in Figures 2,7, 3,4,_._nd3,24,

52) Plot the saturation and hydraulic-conductivity clmr_tcteristic curves for each material specified;

examples of these plo_s are given in Figures 3.5 and 3.'25.

3) Plot composite hydraulic conductivity cxnd ca.p;_citance w-_'rsus pressure head for e_.tch geologicunit specified; examples of these plots are given in Figures _,6 and 3.26 for t,he conductivity

curves, and Figures 3.7 trod 3.2'? for the capacitance curves.

4) Plot STEADY-.calculated pressure head versus elevation for each plot-d_.tt,_t file entered; an

example of this plot is given in Figure 3.28.

5) Plot, STEADY-calculated saturation versus elevation for each plot,-datet tile entered; an exampleof this plot is given in Figure 3,29.

6) Plot STEADY-cadculated flux versus elevation ['or each plot-d_{ta, file entered (this qu:-mt, il,y is alsocalled the Darcy velocity, the percolation rate, or the rate ot" ilJfili, ration); an exanll:,h: of this plot

is given in Figure a.ao.

232 CHAP'.I'I'_,t_,4, G'ENt_I_AL t_,.EFERENCE

7) Plot, STl_2ADY-ca,lculat, e.ct avm'age linear velocit,y versus elew_.l,ion for each plot,-dat, a file ent,ered;

cxa.lnples of t,hesc plots a.re given in Figure.s 2,8 and 3,31 (bor, li Im-m'ix-wal_e.rvelocity) and 3,32(fr a.cl,u re-w_rt,er re loc ity ),

8) Plot, S'"'"Il.,Al)'_'-ctdcuhm.c.', t hydraulic conductivit,y versus eleva,t,iorl t'or eac.h plol,-dat,_ file cnl,ered;a.n example of this plot is given iri Figure 3,33,

9) Plol, S'l'EAI)Y-calcula, ted ca,pa,cil,a,nce versus elew_,t,ion for each plol.-dat, a, file entered; ali exanlt)leof this plot is given in Figure 3,34,

10) Plot, on a ba.r cba.rr,, l,he groundw_l,er t,ravel t,ilnes (lnininlutn, colnposiU_, matrix, _uld fracture)betwce.ll a.lly l,wo specified points in l,he column; a.n exmnple of i;his plot is given in Figure 3,35,

l)epending on the plot. choice, OUq'l>l,O'l ' will query for addil, io.ual inforllm(,ion, 'I'his addil, ionai

inform_l, ioll t,ypically includes the tbllowhlg:

1) whet, tmr results h)r iilat,rix tlow, t'racl,ure flow, or cotIH)osit,e llow (ian,, l,he area-weiglll.ed a.ver_geo[' l,lle real, fix and I,he fra,ct,ures) are t,o be plol:t,ed;

2) whel, her t,he plol; should be oriented in porl, rait oi' la.ndsca_pe iliode;

3) whet, ller l,he axes are to have linear or logarit,hnlic scaling;

'1) whet, her l,he a,xis labels should be changed;

5) wtlel,her the IJliil,s of t,lle data shoulcl be change.el (inull, iplying l,he dal,a by a facl,or inl,roduced bythe user);

6) whet, lmr the user desires l,o override t,he _mt,om.atic axis sca.ling; a_(t,

7) whether a. legend is t,o 1)e placed oli t,he plol,, and ii' so, where it sliould be placed and wllal,sltould be written in ii,,

Four basic l,ypes of plol,s are list,cd in l,he O I.J'I'I'I,OT (S'I'I';AI)Y R.ESU LTS)mcnul 'l'henlesh/strat, igra.phy plot, giwes a visuM check of I,tte assignments ['or tlm mesh, geologic units, azldmat, eria.1 propert, ies. The cll_u'act,erisl, ic-curve plots arc all gral_hc'd with respect t,o pressure head.Various liydrologic w:triables plol,t.,ed a.gains|; elew-tl,ion ali follow a similar t,wo-dimensiona.I t'orn_al,. Theplot of l,ravel l,i_ne is a. b_-_rcha.rl,.

The renia.inder of this subsec.l, ioi_ ('o_l,ains a. description of I,he de.finil,io_ls of l,hese four phA, i,ype.s.

4.6.3.1 Mesh/Stratigraphy Plots (Choice 1)

'I'o define a mesh/sl, ra.l,igrapl-_y I:)1ol;,t,he user e.nl,ers choice 1 in response t,o l,he ()U']'PLO'F (S'I'EAI)YRES ULTS) inelni:

ENTEK CHOICE: 1

O U'FP I,()'I' responds:

DEFINING MESH/STKATIGRAPHY PLOT...

,.1,(3, COMP U'FEI£-G1L4 PHICS MOD ULE (0 UTPLOT) 2'33

A rnesh/st.,ratigraphy plot consists of an eleva,tion a,xis a.longsidc a rcpresenta, tioll of tile lnesh and arepresentation of the geologic units wit,h the nm,terial-property assigltnmnts writt, en inside, Sevent)arameters are available for the i1ser (,o ella,nEe: t,he axis type, the a,xis units and so.MinE of tlm d;!_ta,the axis limit, s, the number of mesh point, s to be inc.luded in ca,cb box iu the dra.wing of l,}w mesh, andl,he step in the label of the mesh-point number wril, tcn alongside the mesh dra,wing, OUTPLO'P begillsby asking about the a,xis type:

ENTER ELEVATION-AXIS TYPE (LIN, LOG, NEGLDG):

The de.fault is the first item in the list, which indicates a linear axis,

OU'PI'I_O'I.' queries for the data-scaling t_arameters Atsfollows:

DO YOU WART TO CHARGE AXIS UNITS OR SCAI,E DATA (N OR Y):

A discussion of these prompts and possible responses is giw_'zlin Section 4,6.3,2,

OUq'PLO'I) conl,inues wit,h prompts allowing the user 1,oset, the eh, w:_A,ion-axis bounds:

SET AXIS LIMITS...ENTER ELEVATION-AXIS MINIMUM:

'.['he axis limits giw; the range of t,he elcvat, ion; they can be adjusted to illu,_sl,rate any p;:u't o1' tlmmesh/stratigra,phy, A discussion of the preceding axis prompts and t,he appropria.te responses iscontained in Section 4,('_,3,2,

O[J'I?PI,OT prompts lhr the final two paranml, ers as follows:

ENTER # OF MESH POINTS IN BOX:

ENTER STEP SIZE FOR MESH-POINT-NUMBER LABEL:

'['he defaults for these two parAmmters vary depending on t,lle nurnbcr of cells in a mesh, For exanlphe,if there are 200 cells in a mesh, then a box is drawn for ev(;ry cell altd ev(_ry twentieth cell is labeled. Ifthere are 2000 cells in a mc'sh, then a box is drawn for every 16 cells _md every hur, dredt,h cell is labeled,

OUTPI.,OT signals that it has created a plot block For mesh/st, ratigra.plly in the plot-definit.ion file a.sfollows:

l!3xalnl)les of t,he mesh/stratigraphy block iii a plot-definition file. are givell iii Figures 2,12, 3,16,

and 3.46, Examples of lnesh/stratigraphy plots are given in Figures 2,7, 3,4, and 3.24,

4.6.3.2 Plots of Composite Condu('tivity and Capa(:itance (Choice 3)

As used by TOSPAC, characteristic curves arc hydrologic va,riables (either saturation, hydraulicconductivity, or capacitance coefficients) for a materiM defined as a function of pressure head, Thecomposite conductivity and capacitance curves differ from simple characteristic curves because they

234 CHAP'I'EIg 4, GENERAL REFEI_,ENCE

include both matrix and fracture rnaterials. For characteristic-curve plots (choice 2), separate plotscontaining graphs of the saturation characteristic curve and the hydraulic-conductivity characteristiccurve are made for each material specified. For plots of conlposite conduct, ivity and compositecapacitance (choice 3), separal,e plots }we made for both tlm conducl,ivity and the capacitance for eachgeologic unit specified.

Consider the d(,lillition of a characteristic curve for composite hydraulic, conductivity, The user enterschoice 3 in response I,o the OUTI_LOT (STEADY t{ESUI/I'S)menu:

ENTER CHOICE: ,_]

First,, OU'I'PLOT works on the composite hydraulic conduct, ivity:

DEFINING COMPOSITE-CONDUCTIVITYPLOT...

For this plot, the, user is allowed to specify one or more geologic units, to change the type of axes, Lochange the axis labels ap.d scaling of t.he data, to change, the axis lilnits, and to specify the location of alegend if one is desired.

ENTER GEOLOGIC UNIT:

An allowable response is e.ither an integer corresponding to a geologic, unit in an input-data file, thecharacter string "orresponding Lo the nanle of a geologic unit,, or the word ALL. The default is ali the

geologic units; il, this case, characteristic-curve_ plots will be defined [br ali the geologic units, and alisubsequent parameters will apply t,o ali the ploi,s.

The plot axes can be cit,her linear (the default), logarithmic, or for 1._gal,ive data, negative logaritllmic:

ENTER CONDUCTIVITY-AXIS TYPE (LIN, LOG, NEGLOG):

Now OU'I.'PLOT see.ks information about the units of the axis:

OUTPLOT assumes S'I units (although the time can be changed from seconds t,o a0.other unit usingthe time.-conversion menu, Section 4,2.10), II" English units had been used in the input-data file tbr thecalculation, the axis labels could be changed, If SI units had been used, but elevation was wanted incentimeters, the axis labels could be changed and a scale factor could be entered to so.ale the data, If

the user responds with a YES to this prompt, OIITPLOT issues several prompts allowing changes inthe axis labels and data scaling, as follows:

DO YOU WANT TO CHANGE AXIS UNITS OR SCALE DATA (N OR Y): YENTER NEW CONDUCTIVITY UNITS:

ENTER CONDUCTIVITY SCALE FACTOR:

Acceptable answers to the new-units prompts are any character stril,gs up to 80 characters long, Thedefaults are the SI units: "m/s" for conductivity. The data scale factor can be any positive number(real or integer). Default scale factors are always 1,

As an example of a scale-factor change, consider that the data are ill SI units, but conductivity units

tbr the plot are to be in units of millimeters and years, The scale factor for the conductivity should be

4,6, COMPUTER-Gf{APHICS MODULE (OU'I'PLOT) 235

3.16 x 101° (a meter is 10a rnillimeters and a year is 3.16 x 10 r secoJ_ds: therefore, m/s is

toa x a,16x 107 Irln]/yr). For these changes, Uhe prornpts and t,he responses would be as tbllows:

DO YOU WANT TO CHANGE AXIS UNITS OR SCALE DATA (N OR Y): Y

_NTER NEW CONDUCTIVITY UNITS: mm/yrENTER CONDUCTIVITY SCALE FACTOR: 3.16E.10

A second example illustrates changing the axis labels without introducing a scale factor. 1t' ali data in

the input-data file had been entered using length units of lldllimeters and time units of years, then thej,,} .,, q,plot data would ah'eady h{we the desired units, but it is necessary l,{}inform O[ II I, OI that _.I units

are not being used:

DO YOU WANT TO CHANGE AXIS UNITS OR SCALE DATA (N OR Y): Y

ENTER NEW CONDUCTIVITY UNITS: mm/yrENTER CONDUCTIVITY SCALE FACTOR:

OUTPLOT allows changing the axis litnits with the following prol_ll)t,s:

SET AXIS LIMITS...

ENTER CONDUCTIVITY-AXIS MINIMUM:

ENTER CONDUCTIVITY-AXIS MAXIMUM:

If the user enters a real number of the axis minimum, that number I,ecomes the axis origin. If the user

enters for the the axis minimum a real number which is greater than the value of the axis minimum,

that number becomes the axis maximunl. Both values must be wit, bin the range of the computer

(between ,,_ 1038 and 10 as for VAX [ OR,1. RAN compiled with tlm D-floating option)..If tlm userenters only a <Ctl>, the default value is selected, The default (whicll ends up as the word .I).t",']"AULT'

• in the plot-definition file) is to show the entire column, lt is possibh.:, to choose the default minimunl

but specify the maximunt, or to choose the default maxi_llum but specify the minimum, An ex_mq)le ofthis sort follows:

SET AXIS LIMITS...

ENTER CONDUCTIVITY-AXIS MINIMUM:

ENTER CONDUCTIVITY-AXIS MAXIMUM: 1

In this exatnple, the default minimum will be used for the ,txis, but the inaximum will be set to 1 in

whatever the plot units are. If the default units are being used, that means 1 m/s for the (:onductivityaxis maximum. If the conductivity unit, s have been changed to mm/yr, as in tlm examples abow!_, then

the maximum will be 1 mm/yr, Note that OU'I'PLOT may occasionally change your specified

rninimum or maximum value slightly to obtain more aesthetically pleasing axis limits,

= Continuing with the composite-conductivity plot, the axis prompts are repeated for the pressure-head: aX is :

ENTER PRESSURE-HEAD-AXIS TYPE (LIN, LOG, NEGLOG) :

SET AXIS LI21TS,..

= ENTER PRESSURE-HEAD-AXIS MINIMUM:

ENTER PRESSURE-HEAD-AXIS MAXIMUM:

The, possible responses are the same as already discussed tbr the conductivity axis,

236 CHAPTli2R 4, GENERAL t_.IiHV.I_t_.ENCE

On the composite-conductivity plot, (,here are l,hree curves: tile hydraulic conductivity of the t'rat:ture

material (a dashed line), the hydraulic conductivity of the matrix ml_l,erial (a chain-dot line), a.nd l,hehydraulic conductivity of the. composite nm.t,erial (a solid line). If desired, a legend will be printed onthe plot, showing the line types and t,he labels COMPOSITE, MA'['IUX, and Ii'tl,AC'r[.II:{,]!',,respectively. The user is not allowed to change these labels, but, the legelM is optional a_ld tile legendlocation can be specified:

DO YOU WANT A LEGEND (Y OR N OR SAME):

If the user enters NO, OUTPI, O'I' resl:,onds by skippirlg the. legend-related pronlpi, s and no legen(I willa.pl)ear on the plot. If the user enters S'AME, OUTPLOT uses the sam(.' legend informatioll from theprevious plot of the session and OUTPLO'I.' responds by skipping the legend-related l)rompts. Notethat. if the user enters SAME for the first, lc)leto[' a session, n.o legend is produced. If the user entersYES, OU'FPLO'I.' prornpts for the legend location:

ENTER LEGEND LOCATION:

'I'he user is allowed to specify the loc.atioll either by a descriptive pair (e.g., LE.f"T, TOP), or by a pairof nurnbers (e.g., 4,6). A descriptive pair indicates a piace in the plot where the legend sl_ould belocal;etl. A descriptive pair must have a horizontal colnt)on(mt (LEFT or RIG'HT or CEN'.I'E]I), and avertical COml:)onent (TOI:' or .t]OTTOM or C£'NT'Ii,'R). Order is important. As with ali 'rOSPAC. data,the lette.r case is not significant, The descriptive pair must be separated by a blank or a comlna, Basedon the des('riptive pair, OUTPLOT ca.lculates the actual location values to Iii, the legend in thespecified location.

'1'he. number pair must Mso be separa.(,e.d by a blank or a cornnla.. The first, nulnber of the lc)air tells thedistance, iu the X-axis direction, in centimeters, l'rorn the origin to l he lower-left corn(,r of the legend.The second nuilfi)er of' the pair tells the distance, in the Y-axis dircctioll, in celltimet(,rs, from theorigin to the lower-left corner of t,he legend, ":

Location defaults va.ry tbr tlm different plots; for the cllaracteristic-curve plots the default is ttleupper-right corner (e.g., RIGItT, 7'0t)).

For plots with landscape orientation (orientation will be discussed in Sectior, 4.6.3.3, but note thatcomposite-conductivity and cat)acitance plots are always plotted with lallds(',ape orientation), there isan additional option, OUTSIDE, If this option is chosen, the X-axis is shortened slightly and tit("legend is placed outside the plot, on the right-hand si(tc, Such a. choice is not particularly useful for thecolnposite-conductivity plot, but for plots with many curves (for example, a release l)lot witch 20species .....see Section 4.6.5.5)it can be. helpful.

OUTPLOT signals thal, it is working on, and has created, a plot block k,r COlnl,osite conductivity illthe plot-definition file as follows:

At this point, the abow; sequence is repeated to define a plot for colnposite-capacitance coeflicienl,s.

gxarnples ot' the plot blocks for con,pestle conductivil,y and cornposite c_pacitance in a plot-definitionfile are given in Figures 3.16 and 3.46. Examples of plots for composite conductivity and conlpositecapacitance are given in Figures 3.6, 3.7, 3.26, and 3.27.

,t.6. COMP UTEI¢-Gt_APHIC!S MODULE (0 UTPLOT) 237

I)efinitiotl of characteristic-curve plots (choice 2) is siniilar. F,xalnpl(_'s of plot, blocks for characi.eris(,ic

curves irl a plot-definit, ion tile are given in Figures 3.16 and 3,t6, Examples of t,he characterist, ic-curw'

plots are given in Figures 3.5 and 3,25.

4.6.3.3 Plots of Velocity versus Elevation (Choice 7)

For a typical l,lot, of a hydrologic ','ariabh. _ versus elevation, consider t,he ei,t, ry of choice nunibcr 7 illrespoIlSe to t.tlc" O []TP [,CT (STEADY RES tl H'S) ii]Iuiii.

ENTER CHOICE: 7

O ll"I'p I,OT respoilds:

DEFINING VELOCITY-VS-ELEVATION PLOT..,

Velocity is the average linear velocity of a parcel of wafer, _telined as the flux divided by l.tie llloist.iirc

COlitent.. ,¢;_'(>ct.ioll:$.:2coril, ains a discussion of the differ(,nce betwe(,ll how i,he average linear velocil.y is

calculated irt iile tkvdrology alld t,railsport Iiiodules.

'I"here is rriore thai; orie type of plot for average linear velocit,y; OrLI'I'PI, OT responds wilh t.lie

velocit.y-plot ineriu'

OUTPLOT (STEADY RESULTS) VELOCITY MENU

O. STOP

!, PLOT COMPOSITE-WATER VELOCITY

2 PLOT MATRIX-WATER VELOCITY

3-,,PLOT FRACTURE-WATER VELOCITY

4, PLOT ALL

ENTER CHOICE:

The choices coi'r,:,spond to ploi.i.ing only I,lle velc,cit.y of' water iii the coilll)osii.e llial,,::rial, oI:ily tile

velocity of water iii the inatrix material, only the velocity of wait:,r iii /,lit' fracture niaierial, or l)l<,t./ing

tjle velocity of water iii the composite, inat.rix, allet fr;I.ct.li/'o rnaterials Oll _tsiilgle plot. For tilt, first

three choices, o11o l:>l('Jt,is detiried colit.aiilin_._ oiit ) velocity el,it"oi+ ['rOlll each of lhc id(,rititie_t l)lol,-dal.aflies. For tile .'ILL elle)ice (choice' ,t), a plot is detined fi-)r ¢'ach i,lent.ilied plot-data file, and each I>lc)t.

COil[ aiils thr¢.e velocity curvt's.

For l)lot,s of velocity vcrstl,,; elevation, lhr, ilSel" is ;_llowed lo specify l)h>t oritqll.atioll, axis t,,,p:.s, a×i.,,;

labels and data seal, _ [actors, axis linlil.s, and a legend. ()trT['I,O'I' t)(fgins l)roiriplilig a.s follows:

SET ORIENTATION (PORTRAIT OR LANDSCAPE)',

The orielll.a/ioii is tt,<- vcay the plot is sit.uated oll the t,ag,:': portrait, orielltalioli I.)ta('es t.lle plot v¢it]l

t.lle longer edges of tile page vert, ical; landscape [tirils tile page horizontal. '.Fhe default, is POItI"ttA IT.

For. landscape orien't.ation, the user e,:lters the we)td LA N[),i;CA PE. ["or exauiple, F'igtire 2.8 show.'+ ii

veiocit,y plot iii portrait, orientatiori anet [:igure ',].31 silov,,s a velocity pl(:,l iii lalldscape orientatioli.

i. OUTPI,OT conti Iltlc_.s'ii

238 CltAPTER 4. GENERAL REFERENCE

DO YOU WANT TO CHANGE AXIS UNITS OR SCALE DATA (N OR ¥):

SET AXIS LIMITS,..

ENTER VELOCITY-AXIS TYPE (LIN, LOG, NEGLOG):

SET AXIS LIMITS,..

ENTER VELOCITY-AXIS MINIMUM:

ENTER VELOCITY-AXIS MAXIMUM:

A discussion of these prolnt,t,s and possibl,_ responses is cc,nt,ailmd itJ Sec.lion 4.6,3,2.

For port.raft orientatiotl, the elevation axis is nominally 20 cm long, Elewtt, iorl default, values are chosen

so that, t,he entire colulnn fits in this area with approximately a one-tin blaak area abow_ and below.

The velocity axis is no_ltinally 15 c_ll long. Labels identifying the g_,ologicunit.s are placed inapproxinmtely t,hree clll of t,he right-hand side of t,he gra.ph,

OU"I'PI.,O'I' now at, tempts to define a legend and asks t.h,_ user t,o i&mt,ify/,lte various velocity-dataC li r ves,

One curve is plott_ed ['or each plot,-dat, a file identilied when a STEA [)Y-results plot is requested, Five

dill;_rent, line types are available: solid line, chain-dot, line, dashed li_le, cllain-dash line atm dott, ed line.'['hese line types are used in t,lle above order; t,he first, plot-.,.tal a file is repe.sent, ed with the solid line.,

t,he second is represellt.ed v,'it,h l,he chain-dot,, et,c. If ntore thart five I,lot,-da.ta tiles are specified, the linetypes are repeat,ed. 'l'l_e user is not. given any choice in t,his matter.

An exceptiou to t,his format, is made when the ALL choic¢ .......choice ,'1.....is selected in response to the

OUTPLOT (STEAI)Y RESUI./I'S) velocity meau. Then a separate l,lot, is made for each plot,-data file.

Each plot contains three curves, representing the velocit,y of water iz_ the fract, ures, t,he rnat, rix, and the

cOnll)OSite material,

l,egend-related pronlpts are as follows:

DO YOU WANT A LEGEND (Y OR N OR SAME):

Possible response, t;o this prompt are described in Sect.ion ,1.6.3.2. If the ilse_r emers YES, OUTPI,OT

continues wit, h legend-relat,ed prompts. If t,he user select, ed C()MI'OS1T}'.;-WATER,MATIUX-WA'I'EI{., or FRACUT[}RE-WATf';}_., VFLOC2I'I'Y (choices 1, {2,or 3 in response, to t,he

velocit,y menu), t,he legend prompt,s are ms follows:

ENTER LABEL FOR CURVE # I:

ENTER LABEL FOR CURVE # 2:

There are &,i lnany prc, nlpt,s ,-v.,sthere are plot,-data flies. Allowable labels are any character st, rings up

4,6, COMP UTER-GRA PttlCS MODULE (0 U'I"I%OT) 239

to 80 characters long. For example, curve labels can b,!, (.'ase 1 or q=0,5 m,t/_lr, I)eflmlt, l;_bds are I,t,..file names where tile STEADY results are loca.ted.

If the user selected ALI, (choice 4 in response to t.he velocity ntenll), t,hclt there is iJo choice; t,ll¢' lab,,ls;used are the words COMPOSITE, MA'[NIX, and t,'t/,ACTUI{,E.

OUTPLOT now a,sks where to locate the legend:

Responses to this prompt are discussed in Section 4.6.'3,2. Location defa_lll, for the velocity plot,s is l.ll,-.upper-left corrter: LEFT,'fOP.

After the legend has beelt defined, OU"FPLOT anllounces:

Examples of plot blocks for plots of hydrologic, w,.riablcs versus elevation in plol.-(letinition tiles ar,_

given in Figures 2.12, 3,16, and 3.46, Examples of plots of hydrologic variables w'.rsus elevatiotl aregiven in Figures 2.8 and 3.28 through 3.34.

4.6.3.4 Trawfl-Time Plot (Choice 10)

OUTPLOT displays travel.-time results o_l a bar charl,. The bar chart, shows th_, t,rawq tinu._ ot" wa.t.er,across a user-specified range of' ele.w.d,ion, ['or one. or n,ore dilt'ercnt, STEAI)Y calculat, ions.

In this discussion, the different, calctdation_: arc tel'erred to _ts files, I)ecause t,he results are tak,?tl ['rotli

one or more STEADYplot-definition tiles (Sc_ct, ioli 4.¢;,3).Traw:'l l.illles are plotl,cd for ,_v_'t'3S_I"]CAI)'Yplot-data file listed when the I)EFINIi; S'['EAI)Y PLOTS optiozl is tirst, sdect,_,d. ]'lte ba.r charl,s he_v_.the difDrent calculation iI,arlles listed a,cross the horizonta.l or X.._ixis, and l,ilne tist_lay_::,.toti t,llc vc,rtic,t.lor Y-axis. If t,here are rnore t,h.:m five plot-dcfitiil,ion files, the results will be brokcll i:tl,o t,wo plots t.oavoid overcrowding.

For t,ravel-time piot,s with multiple STEADY files, it. is not nece:'sary t,]lal, tilt different files ali haw t,}lcsa,me rnesh and stratigraphy; however it, is required Chat ali tiles us_, the saltm time u_,its. A_ error willresult, if one of the files has time units of seconds (choices 1-4 on t.hc t,iltle conversion ttl<'llli) ;:rod

another one has time units of years (choices 5--.8oa t,het, ittlc coltversiolt tlwnu), lt, is also prcfera',,I, _.t,hal,

ali files have the same elevation units; otherwise the elevation Sl:Wcificatioll zlmy be incorrect. (If lhe

default elevations are specified, there is no probicl,,i .....tlm t.op and bot.t.om of the colulml ',viii b_, used.)

Cons_d_.r the entry of choice number 10 in rcspons,e to the OUT'PLOT (S_i'EAI)Y I{]a3St.',H"S)_,','!'u,

ENTER CHOICE: .I0

OUTPLOT responds:

DEFII_IIIGTRAVEL-TIME PLOT...

r3r,, 1 ,t ".. .

___ .l.l'_Vt_l UllltlC (./_til b_ .l.12..-a " .......... L .... F "_g_._._y'_.q. I'.,! ........ tI ',_._'I(_ S .... _;"'_'-' Q ') ,',r _[,;,, |],_ ..... ',, {"l,,;,] .... ',.",r,_ ,a ;,,tlUlllt_'kl til rr, LtUIIII)Lt W! t utttttt,%, t ,-._ t. twtl _/._. u_ _,ttt_. _.u. • ,, ,....,.... ......,,,..,..

a discussion oi' how il, is defined and calculated in STEAI)Y. lt will suttice here to say that, four values

are computed over a distance specified by the user:

1) a rninimum trawd time calculated for an "average fastest particle" that takes whichever is fiLster,the ,,mtrix path or the fracture path, as long as the path carries at least i% of the tot,al flux;

2) a composite travel time based on the composite velocity of water .....i.e., the velocity calculated asthe area-weigh.ted average of the velocity in the matrix and in the fractures.

3) the travel time for an average water particle confined to the matrix; and,

4) the travel tiine for a parl;icle confined to the fractures;

li'our bars are produced for each file, one ibr each traw_.l time. Above each bar is written the travel timeand the percent of the user-specified distance across which the trawd time is valid,

The user is only allowed to specify changes in a few parameters for travel-time bar charts. The axistype and axis label for the tizne axis can be changed, and the time data can be sealed. 'l'lle eleval.ionrange across which travel time is to be calculated can be specified OL I [ LO 1 begins by t,romptingfor for axis-related information:

ENTER TIME-AXIS TYPE (LOG, LIN, NEGLOG):

DO YOU WANT TO CHANGE AXIS UNITS OR SCALE DATA (N OR Y):SET AXIS LIMITS...

A discussion of these prompts and possible responses is contaim_d in Sect.ion 4.6.3.2.

O( I f-1.,O 1 continues by prompting for the range of elevation over which the traw-.'.ltime is t.o be.calculated'

SET DISTANCE FOR CALCULATING TRAVEL TIME...ENTER UPPER ELEVATION:

ENTER LOWER ELEVATION:

Allowable elevations are any real numbers, wit,h the condition that the upper elevation must be above.the lower elevation, If the. specified upper elevation is above the uppernlost mesh-l.)oiJlt elevation in aS'I?EA DY plot-data file, OUTPI, OT uses the uppermost mesh-point elevation. A similar c.orrection ismade for a spe.tiffed lower elevation that is below the lowermost mesh-point elevation. If t,lle user

r_ 7specifies elevations that (to not include any part, of an elew_tion range in a S I LADY l)lot-.daia fib,,,travel thnes are. set, to zero, The default values for elevation are set so that travel time is contputed forthe entire colulllll ill each file. If the tw()elevation values are specified by the user, those values areused in calculating travel times for ali the S IEA[. Y plot-data flies; i.e., difDrent elewttions cannot be

specified tbr each file. However, if the default is specified (for upper or lower or both), then the defaultis calcula.ted separately for each file, so that the range over which travel time is calculated may hedifferent fbr each file. An example of this situation is shown in Figure 3,35 .....default Iowe.r and _.l_perelevations were specified, and travel times were calculated over a range of 0 to 100 m for themill-tailings problem and 0 to 530,4 m for the waste-repository problem,

!r_' i1 ,e-_r _'rlC_T'_; .r'_rl_i" lllillly, U U 1. I laU I pl k)ll lp t_ rUl [,h_ ili:l, ll lob Lt) I)_ ",.I_'_.Ia._CU'' ' """_!_/lt, II ,'llu1 |t.: t. ,'tl L U I _t, lt)ll" ' ' ; ': _ _L.'!/ " "' OO'I" J':' , ,'_,'_,_'lt1', l"t J-.* I

"1 r"l 71 'f _' "'_

4,6. COMPUI ER-GRAt HICS MODULE (OUTPLOT) 2,il

plot-data file). The labels appear on the llorizontal or X-axis of the bar chart. 'I?he following prornpts

are given:

ENTER LABEL FOR CURVE # 1:ENTER LABEL FOR CURVE # 2:

Allowable labels are any character strings up to 80 characters long. 'l'he defa,ull, values are the na_nesof the plot-data files, 'l'here _re ms many prompl, s as specified tiles.

OUTPLOT now indicates completion of the plot detillition:

An example of a plot block for travel tinl,', in a plot-definition file is giw.'.ll iii l;'igure 3,46, An exaitlph_of a travel-time bar chart is given in l;'igure 3,35,

4.6.4 Define DYNAMICS Plots

Entering a choice of 2 in response to the Ol..l'l_lq,()_l" main menu Mlows the user to d('li||e plots tbrI)YNAMICS results.

Plotting of DYNAMICS results begins wit,h the identification of the plot-d_Ll,a lile:

ENTER DYNAMICS PLOT-DATA FILE (DEFAULT=NONE):

The default answer implies that the plot-definition tih.' being created will work with any I)YNAMIC, Splot-data file. If the user wants to create an audit trail for a specitic analysis, the user can enter lhename of a DYNAMICS plot-definition file and OUTPLOT will use this plot-definition iii(' only wit.li

tb,e given plot-data file.

OUTPLOT allows only one DYNAMICS plot-data file to be specified. Data t'roln multil,letransient-flow calculations cannot be plotte.d on the same graph as they can with steady-state-flowcalculations.

Even if a plot-data tile is entered, OUTPI,OT only reads ii, immediately beibre constructing thegraphics-driver file (Section ,t.6.6). OUTPLOT does not provide explicit default values tbr (tefinillgplots. The default value for a plot parameter in the plot-definition file is the word DEFAULT".

OU'I?PLOT now displays the DYNAMICS-results lneml on the user's terminal screen:

242 CHAPTER 4. GENERAL REFERI,,NCE

OUTPLOT (DYNAMICS RESULTS) MENU0 STOP

5 PLOT SATURATION VS ELEVATION6 PLOT FLUX VS ELEVATION

9 PLOT CAPACITANCE VS VELEVATIONI0. PLOT SATURATION gS TIME

II, PLOT MASS VS TIME

ENTER CHOICE:

The choices are as _llows:

O) Return to the OUTPLOT main menu.

1) Plot the mesh and stratigraphy for the plot-data file entered; an example of this plot is given inFigures 2.7, 3.4, and 3.24.

2) Plot the saturation and hydraulic-conductivity characteristic, curves; an example of these plots isgiven irl Figures 3,5 and 3.25,

3) Plot composite hydraulic conductivity and capacitance; examples of these plots are given inFigures 3,6 and 3,26 for the conductivity curves, and Figures 3.7 and 3.27 for the capacitancecurves,

4) Plot DYNAMICS-calculated pressure head versus elevation for selected time snapshots; anexample of this plot is given irl Figure 3,8,

5) t)lot DYNAMICS-calculated saturation versus elevation for selected time snapshots; an exalnplcof this plot is given in Figure 3,9,

6) Plot DYNAMICS-calculated flux versus elevation for selected time snapshots (this quantity isalso called the Darcy wdocity, the percolation rate, or the rate of infiltration); an example of thisplot is given in Figure 3.10,

7) Plot DYNAMICS-calculated average linear velocity versus elevation for selected time snapshots;an example of this plot is given in Figure 3.11.

8) Plot DYNAMICS-.calculated hydraulic conductivity versus elevation tor selected time snapshots;an example of this plot is given irl Figure 3.12,

9) Plot DYNAMICS-calculated capacitance versus elevation for selected time snapshots; an exampleof this plot is given in Figure 3,13.

10) Plot DYNAMICS-calculated average sample saturation over time; an example of tills plot isgiven in Figure 3.14,

1l) Plot DYNAMICS-calculated water mass over time; an example of this plot is given in Figure 3.15.

4,6, COMPUTER-GRAPHICS MODULE (OUTPLOT) 24:1

OUTPLOT does not presently plot groundwater-travel-time results from DYNAMICS.

Depending on the plot choice, OUTPLOT will query for additional information. The additionalinformation is typically the same as that requested for STEADY-results plots; it is listed iiiSection 4.6,3.

The plots listed irl tile OUTPLOT (DYNAMICS R.ESULTS) menu are of four basic type'.s, l,'irst, themesh/st, ratigraphy plot gives a visual checl¢ of the a_ssignments for the mesh, geologic units, andmaterial properties. The mesh/stratigraphy plot, is identi,';d for STEADY and DYNAMICS results.The mesh/stratigraphy plot is selected by choice 1 from tile OUTPLOT (DYNAMICS RESULTS)menu; it is discussed in Section 4.6.3.I. Second, the characteristic-curve plots show saturatioll,hydraulic conductivity, and capacitance coefficients graphe.d wittl respect to pressure head. Thecharacteristic-curve plots art selected by choices 2 and 3 from the OUTPLOT (1)YNAMIC, SP_ESUI[II'S) menu; they art discussed in Section 4.6,3.2. 'l'hird, the various hydrologic variables plottedagainst elevation art the most useful plots of DYN AMICS results. Although these plots arc similar tothose discussed in Section 4.6.3.3, they differ enough to be reexamined in Section 4.6,4,1. li'inally, theplots of average sample saturation and water mass show saturation and ln_.ss change over tinm for anentire column. These plots are discussed in Section 4.6.4,2.

4.6.4.1 Plots of Flux versus Elevation (Choice 6)

For a typical plot of a hydrologic variable versus elevation, consider the entry of choice nulllber 6 inresponse to the OOTPLOT (DYNAMICS IgESULTS) menu.

ENTER CHOICE: 6

OUTPLOT responds:

DEFINING FLUX-VS-ELEVATIONPLOT...

Flux is defined as the volume of water passing through an area during a. time. lt tl_s the dimensions ofa velocity. In hydrology, flux is also known as Darcy velocity, or percolation rate, or rate of illfiltration.

There is more than one type of flux plot; OUTPLOT responds with the flux-plot menu:

OUTPLOT (DYNAMICS RESULTS) FLUX MENU0 STOP

I PLOT NORMALIZED COMPOSITE FLUX

2 PLOT COMPOSITE FLUX

3 PLOT MATRIX FLUX

4 PLOT FRACTUR,E FLUX

5 PLOT MATRIX, FRACTURE, AND COMPOSITE FLUX TOGETHER

ENTER CHOICE:

The choicescorrespondto p[ottingonlythefluxofwaterinthecomposil;ematerialwiththedata

normalized, only the flux in the composite material, only tlm flux in the matrix material, only the fluxin the fracture material, or plotting the flux in the composite, matrix, and fracture materials on a

single plot. For the first four choices, one plot is defined that contains flux curves from specitied lime

244 CltAPTER, 4. GENERAL I_Eti'I_Rt';NCE

sllapshots, li'or the multiple-llux choice (choice 5), ;_ plot is defined for each speciIied time snapshot,and each plot, contains three flttx curves.

["or the inlbibition problenl given irl Section 3,1, the water tlux tllrough the matrix is plotted

(lqgure 3.10). The sanq)le is unfracl, ured, so a, plot of [tux throt@l the fractures would llot be usel'ul. A

plot of normalized tlux is not shown because data are norlnalized with respect to tile tinM ltux at thelower boundary. For the imbibition problem, the final flux is virtually zero, and an error would result, ii'

we tried to produce a norJnalized flux plot. NormMized flux plots are used often in 1,/olumc I.

C,onsider a plot of the water flux in tile matrix:

ENTER CIIOICE: J

I,'or plots of [lux versus ele, va, tiOll, the riser is allowed t.o specify plot orielltatioll, axis 1.ypes, axis l_rbels

_md dal,a scale factors, axis limits, and a legend. OUTPI.,OT begins pron_pLing &s follows:

SET ORIENTATION (PORTRAIT OR LANDSCAPE):

SET AXIS LIMITS...

ENTER FLUX-AXIS TYPE (LIR, LOG, NEGLOG):

DO YOU WANT TO CHANGE AXIS UNITS OR SCALE, DATA (N OR Y):

SET AXIS LIMITS...

ENTER FLUX-AXIS MINIMUM:

ENTER FLUX-AXIS MAXIMUM:

A discussion of these pronlpts and possible responses is contained in Seclio'_ 4.6.3.2.

Note ttlat ii' a normalized-flux plot were being defined, the user should mlswer NO to the pronlpt for

changizlg axis units, because OUTPLOT automatically normalizes the data, If units are chalig<.d a'l_ddata arc' normalize(l, the scale factor has no effect.

If (,l'le user specifies flux-axis limits, the user should allow for labels identifying the geologic units tlm(.

are placed in approximately three cm of the right-hand side of (,he graph (tbr port, ra!(oriel_ta(,ion).

OI.J'FPLO'1' now asks the user to identify the time sna.I)shols that define the tlux-data curw!s, lt is here

that tile elevation plots differ significantly from the corresponding STEADY-results plots.

ENTER TIME SNAPSHOTS TO BE PLOTTED:

Acceptable responses are one or more nuznbers or the word ALL. If more than om_ munber is ent.ered,

the numbers must be separated by spa, ces or con-imas, and ali numbers must be enter_:d on olin litre

before the user enters a <CN>. The numbers correspond to the numbers of tile time mtapshots in the

DYNAMICS input-data file that lead to lhe results that are being plotted, If a pond-drain boundary

condition was used in the calculation, extra time snapshots could be included in the 1)YNAMICS

plot-data file, and these extra time snapslmts must be taken into account when the time snal)shots are

emamerated (Sections 4.2.10 and 4.4.3). On the plot, a curve is drawn for each time snapshot that is

4.6. COMI UILH..-(,IfAt ttlCS M(.)D[ LF5 (0[ 1I 10T) 2,15

specified, The default choice is the. word ,'ILL: plot ali the. l,illm slla.l)sliol,s,

Each time snapshot plotl,ed has a different type ot' line. and a legend of l.lle, lille l,ypes (tim be created,

Again, fiwe different line. types are available: solid line, chain-dot lille, dashed lilm, chain-dash line, allddotted line. These line types are used in the above order; ttle tirst ti_tm sll;.q)sllol, specified is rel)esmlted

with the solid line, the second is represenl.ed with the cha.il>dot, etc. If nlore t,llatl five. ti_lle sna.I.)shol.s

are specified, the line types are repeated,

An exception is made when the mult, iple-ilux choice .....choice 5 .....is seh_ctcd in rt,sl)ollse l,o tlm

Ol.J'I'PLO'l' (I)YNAMIC, S [_.I_SUI;I'S) flux menu, 'l'hell a separate plot is illade for ca cii til_le slla.pshol,

specilied. Each plot contains three curves, reprcsellting t,he waU, r ltux iii i,lm fracl, ures, 1,he lllal.rix, alld

t_he conq)osite material.

OUTPLOT now at, telnt.)ts tc) define a legend and asks t.he user tc) i(l(:ni, ify tlic l lllx-datt_ curves,

l.egencl-rel_:_te(l prompts are _'usfollows:

DO YOU WANT h LEGEND (N OR Y OR SAME):

Possible responses to this 1)rolnpt are (liscussed in Section 4.(3,3.3.

If the user enl;ers YE,5', ()UTPI.OT contilmes with h_gend-related l)ronll)ts. It' elm of the. first f()llr

choices wi_s selected i_ response to the OU'I.'PI,O'I' (I)YNAMI(.IS I{,IgSUI:I'S) flux _l(!;nu (i.e., ii' (,l_('.

Inultiple-tlux choice ......choice 5 ......was ,zet selected), then the. following prol_pl,s _re giw'._:

ENTER LABEL FOR SNAPSHOT # ?:

The question marks are rc.placed by the numbers of tl_e l.itm' snapshots scl,.'.cte(I, Allowable lal)cls are

any character st,rings tll) to 80 characters long. The default valtle is {he s_a.l)shot t.inxe giv(:_ i,_ t,1_(,ti,_e

units specitied in the time conversion menu of the I)YNA[_,IIC!'i int)ut.-(:lai,a file (Section ,1.2.10), 'l'l_ere

are as ma, ay prompts __,_specified l,i_e snapshots.

ttowever, if the multiple-flux choice was selected (choice 5), then the lal)_ds used are the words

COMPOSITE, MATRIX, and FRAC'I'IJ[/,t_3, witl_ no choice allowed,

OUTPLOT now asks where 1,o locate the legend:

A discussion of how the legend is l.)laced on tlm plot and possible respo_scs to t,his 1)ro_nl:,t is giv('_ in

Section 4.6,3.3. Location defaults vary for the different elevation plots; f(,r the flux plots tlm dcfa_lt is

the lower-left corner: LEFT, BOTTOM.

After the legend has been defined, OUTPLOT announces:

246 CttAPTER 4, GENERAL REFI,?tl, ENCI_

Ali example of a plot block for [lux versus elevation in a plot,-definition file is given in Figure 3,16, The

resull;ing plot is given ill Figure 3,10.

Additional examples of plol,,,.; oi' hydrologic w-u'iables versus elew_tion lbl' DYNAMICS resul¢,s, alsodefined in ["igure 3,16, are given iii l"igt.lr¢:s 3.8 t,hrough 3 13,

4.6.4.2 Plots of Saturation ve,'sus Time (Ctmice 10)

'_ ) '_ (I)_'NAMICS'ib detine the sat, uratiot>change plot,, en t,cr choice 10 in response to the (.)U I1 1,Oi

R,ti3SU [,TS) lnenu,

ENTER CHOICE: 10

O UTPLOT responds:

DEFINING SATURATION-VS-TIME PLOT...

Average sample saturation is ca,lculat, ed by su.tnlning the lellg_[a-weigllted satural, iolls of every cell iii an

entire column (Section 3,1), The plot of average sample, saturaLion is similar to the plot of water m_s,which is plotted with choice 11.

'File average sample saturation aIld lnasts are ,.:alculated at, every tinle sn_rl)slaot. The average sarnple

sat, uration a,nd water inass are plot, ted against tinm, to give the saturation- and ma,ss-change plots,Unless t,here are many tilne snapshots, the curves de not look snlooth.

The user is allowed to change only a few plot, parameters: l.he axis t,ypes, t,hc uaits, and t,he axis limits.

ENTER SATURATION-AXIS TYPE (LIN, LOG, NEGLOG):

DO YOU WANT T0 CHANGE AXIS UNITS 0K SCALE DATA (N OR Y):

SET AXIS LIMITS...

ENTER SATURATION-AXIS MINIMUM :

ENTER SATURATION-AXIS MAXIMUM:

DO YOU WANT TO CHANGE AXIS UNITS Oil,SCALE DATA (N OR Y):SET AXIS LIMITS...

ENTER FLUX-AXIS MINIMUM:

ENTER FLUX-AXIS MAXIMUM:

A discussion of t,hese prompts _.md possible responses is c.ontained in Soc.lion 4.6.3,2.

OU'FPLOT signals that it has created a saturation-plot block irl the plot-definil,ion file as follows:

An example of a plot block for aw.'ragc sarnple saturation in a plot-deihaition file is given in Figure 3.16,

Example plots of saturation and mass versus time are given in Figures 3,14 and 3,15, respectively,

4,6, COMPUTER-GRAPHICS MODULE (OI:TPLOT) 247

4.6.5 Define TRANS Plots

Entering a choice o1'3 in response to the OU'I'PI.,O'I' lllaill mmlu all¢,ws the user l,o dcfilje plol,s forTITANS results, As with ST1D'AI)Y and DYNAMICS plot definit, ions, plotting of'rl{,ANS result,s begills

with the identification of the plot-data file:

ENTER TRANS PLOT-DATA FILE (DEFAULT=NONE):

The default answer implies that the plot-definil;ion file beillg c.reatcd will work with any ']'I:{,ANSplot-data file. If the user wants to create an audit trail fc)r a spe.cific analysis, the. user ¢.'.azlenter l.hena.me of a TRANS plot-definition file and OUTPI,OT will use t,he plot-definition file only witll tile

given plot-data file,

OUTPLOT allows only one 'I'[{ANS plot:data file Lo be specified, Data l'rom mlJltil)h_ tra.llsport

calculations cannot be plot, ted on the same graph,

Even if a plot-data file is entered, OU']:PLO'r only re_.ulsii, immedial,ely before construci, ing l,hegraphics-driver file (Section 4.6,6), OUTPLOT does not provide explicit default vetluc,s for definingplots. The default value for a plot parameter in the plot-definition file is t,lw. word DEIi'A UL'_I',

OUTPLOT now displays the 'I_It,ANS-results mellu oil l,hc user's t.erll_illal screelt:

OUTPLOT (TRANS RESULTS) MENU0 STOP

{3 PLOT CONCENTRATION VS ELEVATION

7 PLOT CONCENTRATION VS ELEVATION VS TIME (3-D)8 PLOT CONCENTRATION VS TIME0 PLOT RELEASE VS TIME

ENTER CHOICE:

The choices are as follows:

0) Return to the OUTPLOT main menu.

1) Plot moisture content versus elew_tion in the tnatrix and the fractures (sinlilar to l,he stea.dy-statesaturation plots described in Section 4.6,3; however, moisture content is tlm product of thesaturation and the porosity); an example of this plot is given in Figure 3.37.

2) Plot average linear water velocity versus elevation in the matrix and the fractures (similar to thesteady-state water velocity plots described in Section 4.6.3, however the average, linear watervelocity as used by TRANS does not onfit the residual-saturatiol_ water from the cc>mputal,ion);an example of this plot is given in Figure 3,36.

3) Plot dispersion coefficient versus elevation for one or more contaminants in t,he matrix and thefractures; an example of this plot, is given in Figure 3.38.

'248 CHA P_.I'EI_,,1, GENEI_AL I{,I_Ii'I!;I?,I'3NCI_

4) Plot rei,e_rda,t,ion Fact,or versus elew_tion R)r one or tnore cont,arninani,s iii t,he nlaCrix and thefi'ac.t,tlres; ali extu_.ll)le oi' this plot, is giw:.,,nin Figure 3,39,

5) Plot a,dvecl, ive a.lld dilrusive coupling const,aill,s versus elevation for one or tllo,'e cont,alllinant,s', a,nexantl)le of t,his plot is given in Figure 3,40.

6) Plot, cot_ce.ntra.tioli vet'Sl.lSelevat,iori for oae or tllore (:OII[,:-]AIliilI.LIII,S iii t,he inat, rix and the ['ra,ci,uresat, specitied times; exanll)les of t,hese plot,s are given in Figures 2,11 and 3,41,

7) Ph)t, ill three dil_w.Llsions,the concexlt,rt_,t,io|l ve|'slls elewt.t,ion w::rsus t,i|lm tbr one or n_c,reconl, a.inixlanl,s ill t,lm Illa,trix or the frt_cLurc,s; exa.lrlt)les of (,hese plot,s are given ill Figures 2,10and 3,42,

8) Plot, <'ollcetlt,rat,ioll w-_rsust,inle for one or more c.ont,atniL.a.nt,s iii the lnaLrix alld the fractures at, a

givell elew_t,ion; U.llexa.laple oi' t,his plot, is given iii Figure _ 43,

9) Plot, release versus l,ime for one. or more, c.ont,a|ililtawlts; exa,nlples of these plot,s are giveJl inFigure.s 2,9, 3,44, alld a,45.

'l'he. re_nai_der of this subsection conCai||s a, discussio_t o1' l_ow t,o obtain represelitatiw_ TIt.ANS-results

ptot,s. Tl_is discussion i_cludes tile dispezsion-eoelticient, plot, (choice 3), the plot of conecnt,rat, ionversus eleva.t,ic.n (choice 6), t,lm Lhree-din|e.nsional plot of co'nceL_t,ra,l,ion w.'rsus elevat,ion v(.'rstls t,inm

(choice 7), I,her, lot, ot' collcent,rat, ion versus t,ime (choice 8), tuld t,he contamina, nl, re.leases plot(choice 9). This discussio_l excludes t,he retarda, t,ion ['Lwr,or (choic.e 4) and coupling-co_sta, nt (choice 5)plots, which are. very si)nilar i,o t,he dispe.rsion-coefIic.ie|_t I:>1o1,(clmice 3); and tile moisture-contenl_

(choice 1) a.lLdwa.t,er-w'locity (choice 2) plol,s, whicl_ are w'.ry similar to t,he sl;eady-st, a.t,ewat,er-velocityrum sat.urat, ioll plot,s described in Section 4.6,3,

4,6.5.1 Ph)ts of Disp(:rsion Coc, Ificients versus Elevation (C,hoi('(; 3)

To define a plot of tlw. lispersion coelIicient, s versus eleval, ion, clLt,er choi('e 3 in response to t,lteOUTI)i,O'I ' ('I.'I'I,ANS I/.ESUI,TS)|ne||u.

ENTER CHOICE: ,5'

O [J'l.'l) 1,O'17'rest)onds:

DEFINING DISPERSION-COEFF-VS-ELEVATIONPLOTS,,.

The. dispersion coelticient, is a measure of t,he a, nount of diffusion and hydrodynanfic, dispersion aconl,m_ina.nt urlde|'goes as ii, is transported l,hrough a geologic unit (Section 3,2), Bach cont,aminant,has a dispersion coefficient for the matrix and the l'ractures ai, every |nesh cell,

l:_ec.a.usedispersion coett'icienl,s, as defi_md in TOSPA(',, re.lnain co|lstanl, in t,ilne, this plot tyl",e doesnot ha.ve time lines a._ld OU'['PLOT does not, query for t,in_e snapst,ot, dat,a,

To define /,his plot,, OU'FPLO'F asks the user whether the dispersion coet[icient for the n_ntrix or t,hefractures or both should be plotted, then the plot, orientation, the axis labels and data scaling, axislimits, t,hc cont,aminant t.o be plotted, and informat, ion co,_cerning a lege_ld,

OUTPLOT begins with the menu for the dispersion coetl:icient plot:

4,tj, COMPUTER.-(.It[AI-'tlIC'S MODULE (OU'I'PLOT) 249

OUTPLOT (TRANS RESULTS) DISPERSION-COEFF MENU

O. STOP

I. PLOT DISPERSION COEFF IN THE MATRIX

2. PLOT DISPERSION COEFF IN THE FRACTURES

3, PLOT DISPERSION COEFF IN THE MATRIX AND FRACTURES TOGETHER

ENTER CHOICE:

C,hoices 1 and 2.......plot, dispersion cocfflcient iii t,he z_mtrix and plot; dispersion coefticient in l,he

fractures .... each result in a single plot wit, h a curve for each contaminant species chosen, C,hoice 3......plotdispersion coeI:licierll, iii l,he matrix and fractures t,oge{,hm ..... result, s in a separate plol; for each species,

each plot, cont, aining t,wo curves (one each for matrix Cmd fracl, ure dispersion coetticients),

0UTPI,OT cont, inues pronq._ting as t'ollows:

SET ORIENTATION (PORTRAIT OR LANDSCAPE):

ENTER DISPERSION-COEFF-AXIS TYPE (LIN, LOG, NEGLOG):

ENTER DISPERSION-COEFF-AXIS MINIMUM:

ENTER DISPERSION-COEFF-AXIS MAXIMUM:

SET AXIS LIMITS...

A discussion of _,hese prompt, s and possible responses is cont, ained irl Seclion 4,6,3,2,

OUTP1.OT now asks for the contaminant that is l,he subject of this plot,:

ENTER CONTAMINANT:

Allowable resl,onsem are one or more cont, aminant numbers, one or more contan_inant nantes, or l,he

word ALL, A contaminant number is an inr,egcr great.er than zero, A contaminant name is a (:haracl,er

sl,ring of till Lo 80 characters in length. The contaminant numbers and conl, alninanl, lla,llles lntlst,

correspond t,o contmnina, nts in the contaminant-propert;y block of a TRANS input-datoa file, 'I'he timer

can enter more t,han one number or nan-m, in which case each number or name must },esepa, ra.l,ed byspaces or commas, If more than one contaminant nun_ber or conta_ninant narne is entered, all must beentered betbre the user enters a <CR>, Cont;aminanl, numbers and contalninant, names can b_ mixed in

a response. 1)efault response to this prornpl, is ali the cont, a.nlinant,s (the word ALI3).

If more than a single cont;aminant is entered, ali data entered for this plot, type apply t,o ali l,lots

produced, 'Phai, is, ii' two contaminant nulnbers are eJLl;ered, then the specified time snapshol,s andle.gends apply to each contaminant plot,, The exception to this rule is ii" the default axis limits are

selected, then each plot could haw'. different axis limils, chosen by the aut, oscaling routine inOUTPLOT,

If the user wants to plot different contaminants with different time snapshots or legends (ol, if wile userwants to specify axis limits other than the default), the user can do so by entering each contaminant ina separate block, entering tile data for that contaminant, returning to the OUTPLOT (TRANSI_ESUUrS) menu, then repeating the process for the next contaminant. '['his procedure causes longerexecution times when constructing the graphics-driver file (Section 4.6.6) because the plot-data file isreread for each plot block.

If only the dispersion coefficients in the matrix or the fractures are being plotted (choice 1 or 2 inresponse to the dispersion-coefticient-plot menu), then one plot is constructed containing the dispersioncoefficients for ali the contaminants specitied. In this c_kse, a different line type identities eachcontaminant on the plot, and the legend associates tile contaminants with the line types, If thedispersion coefficients in the matrix and fractures are to be plotted together (choice 3 in response tothe dispersion-coellicient-plot menu), then one plot is constructed for each contaminant specified. Inthis case, the different line types identify the matrix and fracture dispersion coefficients on the plot,and the legend associates the matrix and fracture dispersion coeiticients with the line types.

TOSPAC now prompts for a legend a_sfollows:

Responses to this prompt, plus a general description of the legend-related commands, are offered inSection 4.6.3.3.

For dispersion-coefticient plots (and retarcl_ttion plots aM coupling-constant plots), the legend labelsare not optional; therefore, no label prompts are presellted. If the user _t_ksfor the dispersion

coefficients for either the matrix or the fractures (menu choices 1 or 2), the labels used are thecontaminant names, as giwm. in the contaminant-property block of a TRANS input-data file. If theuser asks for plots of the matrix and fracture dispersion coefficients together (menu choice 3), then thelabels are simply the words MATI-tlX and F.f_.ACTUFI.E.

OUTPLOT now asks where to locate the legend:

A discussion of how the legend is placed on the plot and possible responses to this prompt is given inSection 4.6.3.3. For a dispersion-coetIicient plot, the default legend location is LEFT, TOP.

OUTPLOT now indicates that it ha_s all the information to define the plot block for concentrationversus elevation, and that it is writing it, in the plot-deiinition file:

An example of a plot block for dispersion versus elevation in a plot-definition file is given inFigure 3.46. The resulting plot is given in Figure 3.38.

Example retardation versus elevation and coupling constant versus elevation plots are also defined in

Figure 3.46, and the resulting plots are given in Figures 3.39 and 8.40, respectively.

4,6. COMP UTER-GRAPHICS MOD ULE (0 UTPLOT) 251

4.6.5.2 Plots of Concentration versus Elevation (Choice 6)

To define a plot of concentration versus elevation, enter choice 6 in response to the OUTPLOT

(TRANS RESULTS)menu.

ENTER CHOICE: 15

OUTPLOT responds:

DEFINING CONC-VS-'ELEVATION PLOT...

A plot, of concentration versus elevation shows the concelltration, iii eitlmr the rnatrix, the fractures, or

both, of one or more contaminants at one or more tinm snapshots specifi,'.d by the user. rl'his plot has

much the same information a,s the three-dimensional plot of concentration versus elevation versus time

(choice 7) but allows the user to analyze concentration values more easily.

'ro define this plot, OUTPLOT asks the user whether concentration in tile matrix or the fractures

should be plotted, then the plot orientation, axis labels and data. scaling, axis limits, the cont, aminant

to be plotted, the t.ime snapshots to be plotted, and information concerning a legend.

OUTPLOT begins with the c,oncentration-plot menu:

O. STOP

2. PLOT COI_C IN THE FRACTURES

3. PLOT CONC II_ BOTH MATI_IX AND FRACTURES TOGETHER

ENTER CHOICE:

For choices 1 or 2, a plot is n_ade for each contaminallt selected, with curves for each t,ime snal)shotselected. For choice 3, a plot is made for each contaminant, selected at each time snapshot selected, and

each plot has just, two curves, representing matrix and fracture concentrations.

OUTPL()T continues prompting as follows:

SET ORIENTATION (PORTRA:T OR LANDSCAPE):

ENTER CONCE)|TRATION-AXIS TYPE (LIR, LOG, NEGLOG):

SET AXlS LIMITS_..

ENTER ELEVATION-AXIS TYPE (LIN, LOG, NEGLOG) :

SET AXIS LIMITS...

"_ 5H'I'SK 5LSVA'I"IU_-A_I_ MA£1111UI_I:

252 CHAPTEI_ 4. GI"NERAL I_E.b'ERENCE

A discussion of these prompts and possible responses is contained irl Section 4.6.3.2.

OUTPLOT now asks for the contaminant, that is the sllbject of this plot:

ENTER CONTAMINANT:

Allowable responses Lo this prompt were discussed in Section 4.6.[). 1. If the user enters the l,ul,fi.)er ofrnore than _ single contaminant, one. plot for each specified contarLfinant is produced. If the word ALLis entered, one plot, for every contanfillant is produced, li' the concentrations in the zllatrix ail(t thefractures are to be plotted t,ogetl_er (choice 3 on the conceut,ration-plot lILclm), then the nUllfi)er ofplot,s will e(lual the number of contaminants tirn(_s the number of time snapshots specified.

r "_ ", ) (",I OSI A _. tlow a.,;ks for the tirnes of the conceutration results to be plotted'

ENTER TIME SNAPSHOTS T0 BE PLOTTED:

A discussion of possible responses t,o this pronlpt is c()nt.ained in Sect,io_l ,.I.6.4.l.

Each t,ime :_napshot plotted has a different type of line and a legend of tl_e line t,ypes is cre'_ted ifdesired. TeSI'AC l)rolllpts for the legend as follows:

Responses to this l)rotljl,t, plus a general description of the legend-related conl_iiands, ar(, of[,.'rcd iiiSe('t_ion 4.6. :3.',.I.

If the use.r enters YES, OUTPI.,OT contirLues with legend-related l)rompts. If ella of Ilia iirst twochoices was selected in response to t,he concentratiorJ-plot menu t,hen the following prolllt)ts are given:

ENTER LABEL F0R SNAPSHOT# ?:ENTER LABEL FOR SNAPSHOT # ?:ENTER LABEL FOR SNAPSHOT # ?:

The question marks are replaced by the rlunl[)ers of the time snapst_ot,s select,cd. Allowabl(. l_.lt,clsare

a_ly character strings up to 80 cllaracters long. The (h,fauh, value is the sllapshot t,ime giw_n iii t,h(._timeunits specified in the DYNAMICS input-data file. There are a,s really prompts msspecified tilliesnapshots.

tlowever, if choic,, 3 wa.s select.cd on the conceiJt,rat, ion-plot menu (plot, matrix and fracture

concentrat, ions roger.her), t.hell t,he labels used are the words MATRIX arid FRACTURE, with Hechoice allowed.

O(.ITPLOT now asks where to locate the legend:

E_TER r_un LOCAT!tJN'__R

-m A discussion of how t.he legend is placed on the plot, and [)ossi})le, respo;lses to t,his prompt i:_giwm in-mm

4.6. COMI- U1Etl-GRAt_HICS MODULE (OUTPI,()T) 283

Section 4.6.3.3. For concentrat, ion-versus-elevatiorL plots, the default legend location is LEFT. TOP.

OUTPLOT now indicates that ii, has ali the infornlation t,o define the plot block of concentration

w_rsus elevation, and that it is writing it, in the plot-definit, ion file:

Exa, n_ples of plot blocks for concentration versus elewtl, ion are given in Figures 2.12 mid 3.46. 'I'he

concentration versus elevation plots are shown in Figures 2.11 and 3.41, respeci,ively.

4.6.5.3 Plots of Concentration versus Elevation versus Tin,(: (Choice 7)

"lh delin(.', a three-dimensional plot of the c.oncent, r.al,ion versus elevation versus filll(:, ("ill,Ct clLoice 7 in

response to t,he O U'IT'PLO'I' (TNA N S RES U LTS) nl(::llU.

ENTER CIIOICE: 7

OUTP LO'l" responds:

DEFINING CONC-VS-ELEVATION-VS-TIME PLOTS...

Three-din_ellsiona] plots of concelltrat, ioll versus eleva(,ioll %,_l'StlStillle ShoW I,he c.oncent, ral, ioil of Oile ()r

more contamina.nts, in either l,he matrix or the fractures, a.s at funcl, ion of eh._vation altd tim(.,..

To define this plot,, OUTPLOT asks t,he user whether concentration in tlm matrix, the fractures, or

both should be plotted, t,hml the view coordinates, axis labels and data scalirlg, axis limils, the

contaminant, to be plot, ted, and I,he number of elewt.tion and time lines.

O I.ITPLOT begins with the three-dimetJsional-plot tnettu:

O. STOP

2. PLOT CONC IN THE FRACTURES

3. PLOT CONe IN BOTH MATRIX AND FRACTURES

ENTER CHOICE:

If choice ] or choice 2 is selected, a ttlree-dim(!nsiona.l plot, is defined for each cozltamiI_ant specified

(see below), If choice 3 is selected, t,hen two separale plots are defined, one for lhc concentraticm in thematrix and one for the concentration in the fractures, for each conlal'llin;ull, sp,,cilied.

OUTPLO'I' continues prompting as follows:

ENTER VIEW RADIUS (DEFAULT=I25.):

ENTER VIEW POLAR ANGLE (DEFAULT=75.):

ENTER VIEW AZIMUTHAL ANGLE (DEFAULT=340.):

i The view coordinates defii|e the piace in space that, tile viewer is located wit,h respect to t,he!

_|:i-ili-If

254 CIIAPTER 4, GENERAL REFERleJNCE

three-dimensional plot. The view coordinates are specified using spherical coordinates, with the radius

in centimeters and tile angles in degrees. The radius can be ally nonnegative number, the polar angle

nmsl, be between 0 and 180 degrees, and the azimuthal angle must be between 0 and 360 degrees.

Only linear axes are allowed for three-dimensional plots; therefore, rio prompt, s are issued for axis

types. OUTPLOT continues prolnpting:

CONCENTRATION AXIS...

ELEVATION AXIS...

SET AXIS LIMITS...

TIME AXIS...

A discussion of these prompts and the possible respoIlses is contained in Section 4.6,3,2.

OUTPI.,OT now asks for til(.' contandnant that is the subject, of this plot,:

ENTER CONTAMINANT :

A discussion of contanlinanl, llallleS and nurnbers is contained ill Sectiolt 4.6.5.1.

If the user enters the number of more than a single contarninant, at least one plot for each specified

contamirlant is produced. If more than a single contaminant is specified, ali data entered for this plottype apply to ali plots produced. That is, if two contmninant numbers are entered, then the specified

view coordinates, etc., apply to each contamiuant plol,. The exception to this rule is if the default axislimits are selected, then each plot could have different auto-scaled axis limits.

7'O1 'AC now asks for the number of tile elevation lilies and tinle lines t() make tip tile fabric of thethree-dimensional surface'

ENTER # OF ELEVATION LINES:

ENTER # OF TIME LINES:

All acceptable entry is ali integer or tile word ALL, implying that the plot should }lave ali available

data on it. The default number of elevation lines is either 100 or the nunLber of mesh points, whichever,I +i _ i, i ,*

_,_, i_ )' '_" ' tj[' ' " " ' ' i_ re_t bna.n _,ne nut.nt)er ol nmsll po n s,e_ev_uiun em, ereu g _nebile11btllgllel'. 11 H llllJt'.r [,el[",Ine,_ i i,

_! number of mesh points is used. The default number of time lines is the number of tirne snapshots. Iflm

4.6. COMPUTER-GRAPHICS MODtJLE (OUTPLOT) 255

tile number of time lines entered is greater than the nund.)er of tinu-, snapshots, t,he nun lber o1't,intesnapshots is used,

The number of elevation lines actually drawn in the plots will generally I,e sol lmwhat higll(_r than thenumber specified, because of the following require.ments. The elevatiotl litres correspoJtditlg 1;othe topand bottom of the column are always drawn. The elevation lines in the source region _m...alw,'._ysdrawn.Beyond that, elevation lines are drawn for every multiple ot' some number. For example, consider theplot in Figure 3.42. That calculation had 2302 cells, and so 2302 potent, ial clevat, ion lines. 'l'he def'ault

number of elevation lines is 100, and 2302/100 ,_ 23. 'Elms, ali cells that are zmlltiples o[' 23 a.rc dra.wJl(cells 23, 46,..., 2300); the top and bottom cells are drawn (cells 1 and 2302); an<l source-r,.giotl cellsare drawn (cells 1006, 1007,..., 1025), This makes a tol,al of 122 eh'.vation lines for Figure 3.42 eveitthough 100 were specified,

OUTPLO'I' now indicates that it has the information needed l.o define l,l._ plot, I)1oc1¢fl)r cotlcent, ratiottversus elevation versus time, and that it is writing it in the plot-.detinition tile:

Examples of plot blocks fbr concentration w;rsus elevation versus tinm a.re given in l"igures 2,12 aad3.46. The resulting plot,s are shown in Figures 2.10 and 3.42, respectiw.qy.

4.6.5.4 Plots of Concentration versus Time (Choice 8)

Plots of concentration versus time are selected when the user r(.'ponds to the OUTPLAY[' ('I't(,ANSRESULTS) menu with choice 8:

ENTER CHOICE: 8

OUTPLOT responds with the followhlg message:

DEFINING CONC-VS-TIME PLOTS...

Plots of concentration versus time show the concentration of one or more contaaninanl, s, in either thematrix, the fractures, or both, at one or more elevations, a.s a function of time. 'I'hese plots are similarto plots of con :entration versus elevation (choice 6), except that they h_ve elevation lines over a limeaxis rather than time lines over an elevation axis. This plot has much of l.he same ilfforna;:_tion ats thethree-dimensional plot of concentration versus elevation w:!rsus time (choice 7) but allows the user tomore easily analyze concentration values.

'Ib define this plot, OUTPLOT asks the user if concentration in t,he. matrix, the fractur(._s, or I)otllshould be plotted, then asks for the axis labels and data scaling, axis limits, the contaminani t,o l,eplotted, the elevations to be plotted, and information concerning a legend.

OUTPLOT begins with the concentration-plot menu:

256 CItAPTER 4, GENERAL RI_b'ERI,_NCt_

O. STOP

2, PLOT CONC IN THE FRACTURES

3. PLOT CONC IN BOTH MATRIX AND FRACTURES TOGETHER

ENTER CHOICE:

l?or choices 1 or 2, aLplot is made for each contarninant seh:cted (below), with lines tbr eac.h eh:w_tion

selected (below), For choice 3, a plot is n-lade for each contanlinant selecled at each elew_l,ion selected,

and each plot has ,just two lines, representing matrix and fi'acture concentrations.

OU'['PLO']' continues protnpting as follows:

ENTER CONCENTRATION-AXIS TYPE (LIN, LOG, NEGLOG):

SET AXIS LIMITS...

DO YOU WANT TO CHANGE AXIS UNITS 01% SCALE DATA (N OR Y):

SET AXIS LIMITS...

A discussion of these prompts and possible responses is contained in Section 4.6.3,2.

OUTPLO'1' now _-tsks tbr the coiltaminanl that is the subject of this plot,:

ENTER CONTAMINANT :

A discussion of contanlinant names and numbers is colltained iri Secl, io,l 4.6.,5.1.

As previously mentioned, if more than a single eontanlinant, number is entered, ali data entered fi)r thisplot type apply to ali plots produced, That is, if two contaminant xmmln,xs are entered, then the

specified orientations, elevations, and legends apply tc, each cont, aminan_ plot. The exception to thisrule is if the default axis limits are selected, then each plot could have different axis linlil;s.

1t' the user wants to plot different contaminants with different elevations or legends (or ii' the userwants to specify axis limits other than the default), the user can do so by entering a plot block R_r each

contaminant separately, entering the data for that COlil,al|linaltll., returning to tile ()UTP I,OT (TRANSRESUI;I"S) menu, t,hen rel)eating the process for the next contaminant, lt is generally more ettici,mt to

specify several contaminants in one plot definition, rat, her than in several plot definitions; how(.ver, the

user then loses the freedom to specify individual axis limits.

TOSPAC now asks for the elevations at, which concentrations arc to be plotted:

ENTER ELEVATIONS TO BE PLOTTED:

" _bW¢,,_*,?fl!_,"','_""-",_l,l_l',m,_ell...... '...........

" _ 7" ;' " ' _ '_ I"" )''4,6, COM/ [ FEI_-GR, A_ HICS MODULE (0[ 1 PL(. _ ) 257

Ali aoccepta.ble elevt_tion is a_re_d number or one of t,he following words: ,5'OU£CE (corresponding to

the center of tile source region), trod MAX or MAXIMUM (plot; t,he mt-_xi_nu,'n conceJltr_l, ion _s a,

function of time, at whichever elevation ii, occurs), glew._tions should be between the minimum _uDdmaximum elevations tbr a TEAMS calculation; ii' an elevai, ion lies b(:,yond tlmse boumlaries, it, is reset

to the nea.rest boundary during construction of the graophics-driver file, Iti more than one nul_fl)er is

entered, they must be separated by spaces or commas, Ali tile nunfl)ers ;rod wc,rds must be entered onone line before the user enters a <CI?_>, TRANS c¢dculaU;s concentral, ions _l, the midpoint of a cell; i,e,,

h_lfway between mesh points, OUTPLOT allows entry of any elewttion, If the entered elev_t, ion doesnot correspond to the midpoint of r, cell, the concentratioll w.due is line¢_rly inte.rtmlated between the

t,wo closest cell midpoints. The default is the elewl.tion of the cenU.'.r of the source (SO UItCI;2),

leach elew),tion plotted h;ts aodifferent type of line _md _ legend of the line types is cre_ted, TOSPAC

now prompts tbr aole.gelid _s follows:

Ji.espoI-lses to this prompt, plus a general description of' the legend-related comlll;_llds, are offered inSection 4.6,3,3,

If the riser enl,ers }'ES', OU'I?PLOT continues with legend-rela.ted prompts. If one of l,he. first two

choices wa,s selected in response to (,he concentration-plot menu then the following prolllpt, s are given:

SPECIFY LABELS,..

ENTER LABEL FOR ELEVATION CURVE # I:

ENTER LABEL FOR ELEVATION CURVE # 2:

ENTER LABEL FOR ELEVATION CURVE # 3:

Allowable ltd)els are ¢:my character strings up to 80 characters long, 'l"he default is t,h(_ ehwa.l, ioJl va,lue,

There. axe as In;.my l)rompt,s _-_sst)ecilied elew._tions.

ttowever, ii' choice :ii wa.s selected on l,he conceni, ratiomplot menu (l)lot l_la.l,rix and fra.('.l,ure

concentrations together), then the labels used are the words M A'I"RIX a._d Ii'I{,AC'I'UII, E, with n()choice _dlowed,

OU'I.'PLOT now _sks where to locate the legend:

A discussion of how the legend is placed on the plot a[_d possible resl)o_ses to this pro,nt,t is giwm in

Section 4.6,3,3, Fbr concentr;_tion versus time plot, s, the default leg(eHd location is L£'f'7', 2'01 ),

OUTPLOT iiow indic_:_tes tt_a,t ii, has _11 the information to define I,J_e l)lot block for ('on('e]_l, ration

versus eleva.tion, and that it, is writing it, in the plot-definitmn Iile:

An example ofa plotblock forconcentrationversustithein a plot-definitionfileisgiven inFigure 3.46.

• " 9r 1 _ ."1 "_ _ 1 "_258 CHAt 1EN 4, GENERAL RI_F I,,RbNCE

The resulting plot is given in Figure 3.43.

4.6.5.5 Plots of Release versus Time (Choice 9)

Plots of release versus time are selected when the user responds to th'e OUTPLOT (TRANSRESULTS) menu with choice 9:

" ENTER CHOICE: 9

OUTPLOT respondswiththe followingmessage:

DEFINING RELEASE-VS-TIME PLOTS...

A plot of release versus time shows the amount of a given contaminant tltat crosses a specified problemboundary (either upper or lower boundary) during the problem time, There are three ways of detiningthis release, as follows:

1) actual amount outside boundary: a running total of the contaminant accounting for radionuclidedecay; and

2) cumulative amount reaching the boundary: a running total of the contaminant withoutconsidering radioactive decay;

3) rate of release across the boundary.

If the contaminant does not decay, the first two ways are equivalent. The cumulative amount reachingthe boundary is the time integral of the rate of release across the boundary.

The release can be presented in terms of mass, radioactivity, or EPA ratio. The EPA-ratio release tyl)eis a special plot of release versus tirne. If a plot of the EPA ratio is chosen, the releases for eachcontaminant are divided by the EPA release limit for that contaminant. To get the quantity specitied inthe EPA regulations, cumulative releases should be chosen (from the mmlu for this plot type presentedbelow). The regulatory EPA sum is the sum of all the individual ratios. Note, howew:r, that the EPAsum is not, correct unless ali significant contaminants .... radionuclides and daughter products--expectedat the repository are included in the input to TOSPAC (the contaminant-property block of the TIIANS

input-data file). The EPA limit for a contaminant is specified in the input-data file (Section 4.2.16).

qb deiine a, plot of release versus time, OIJTPLOT asks the user whether the cumulative release, actualquantity present, or release rate should be plotted, then asks for the rele_use type, the boundary toconsider, axis information, the contaminant to be plotted, and a legend.

OUTPLOT begins with the release-plot menu:

4.6, COMP UTER-GRA PHI(:S MOD UL E (0 [I'I'PLOT) 259

OUTPLOT (TRANS RESULTS) RELEASE MENU

O. STOP

1. PLOT BOTH ACTUAL AND CUMULATIVE AMOUNTSTOGETHER

2. PLOT ACTUAL AMOUNT PRESENT

3. PLOT CUMULATIVE RELEASE

4. PLOT RATE OF RELEASE

ENTER CHOICE:

For choice 1, a separate plot is produced for each contaminant (below), wit,h each plot having two

curves, representir_g aet, ual and cumulative releases. [,'or elmiees 2, 3, and 4, one plot is defined with

curves for each contaminan_ selec.t, ed (below).

,._nd OUTPLOT continues pronlpting as follows:

ENTER RELEASE TYPE (MASS, RADIOACTIVITY, OR EPA RATIO):

The relet_se type determines the axis label and the t,ype of data used. Acceptable a,nswers are the

words MA,5',.5', .I{.ADIOACTIVJ'I'Y (or RAD), EPA 1_A770 (or EPA), '1'he default is MA,5'S. Theradioactivity and EPA-ratio responses only apply to radioa, ctive contaminants.

OUTPLOT now asks fbr the boundary across which t,he releases are to be coasidered:

ENTER RELEASE BOUNDARY (BOTTOM, TOP, OR BOTH) :

An acceptable response is one of the following words: .BOTTOM (corresponding to releases across t,helower boundary), TOP (corresponding to releases across the upper boundary), or BOTH

(corresponding to the stun of the releases across both boundaries). The default is the salne a,s the wordBOTTOM.

Continuing, OUTPLOT asks lhr information about the axes:

ENTER RELEASE-AXIS TYPE (LIN, LOG, NEGLOG):

SET AXIS LIMITS...

: ENTER RELEASE-AXIS MINIMUM:

ENTER RELEASE-AXIS MAXIMUM:

DO YOU WANT TO CHANGE AXIS UNITS OR SCALE DATA (N OK Y):

SET AXIS LIMITS...

ENTER TIME-.AXIS MINIMUM:

A discussion of these prompts and possible responses is contained iri Section 4.6.3.2.

OUTPLOT now asks for the contaminanl that is the subject of this plot:

ENTER CONTAMINANT :

260 CIIAP'I'I:;R 4, GENERAL I_Eti'ERI:._NCE

A discussion oi' contanlinant nalnes and i._umbers is contained ill Sect, ion 4,6,5,1,

If the, user e,nters the names or mlmbers of rnore t,har_ a single conta|_tinant, ali contalnir|a, ni,s areplotted roger,her, along wii,h a c.ttrve for tlteir sum, Ali exception is Inade, however, when the aerl.lMand cumulative relases are plotted t,ogether (choice 4 in response to the release-plot menu); iri this case,a separate ploL is produced ff)r each contaminant that is specified, For an EPA-ratio plot, {,hecumulaLive releases of ali individual contaminarlts are plol,ted with various line Lypes, and tlm sum isplotted as a solid line,

For each contaminant I)lott,ed or, in the case of the actual/curnulative-release, plot (choice d), tbr eachrelease type, a different type of line is used and a legend of the line Lypes is created if desired,'I'OSPAC now prompts f.,r a legend as fbllows:

ll,esponses to this proml_ , plus a general description of the legend-related cornnmnds, are offered inSection 4,6,3,3,

Kelease plots are like dispersion-coefficient plots (Section 4,6.5.1)in that there is no choice about thelegend labels and thus t|o prornpLs, 1t'the user asks for orie of the first three, choices in response to therelease-plot menu, Lhc labels will be the contaminant nmlies, ats given in the contami||ant-propertyblock of the TH,ANS input-data file, If ali contarnilia||Ls are being plotted, a curve for Lhc sum isdr_wn, lt is labeled by the word TOTAL, If the user _sks for plots of the actual and cunmlativereh:a.ses togetlmr (choice 4 in response to t,he release-plot menu), then the legend labels are the wordsAC','I'UAL and CU M[5LA'fIVE.

OU'I.'PI, OT now asks where to locate t,he legend:

A discussicm of how ttw legend is placed on the plol, and possible responses t.o Lhis prompt, is giwm inSec{,ion 4,6,3,3. For release plots, the default legend locaLion is LE.Ii'T, 7'0P,

OI.!'I'PLOT now indicates that it has _-dll,he inforn|at, ion to define tlm plot block tbr release wwsusLinm, and that it is writing ii, in the plot-definition tiD.:

Examples of plot blocks ['or release versus tilne are given in la'igures 2,12 and 3,46, l{elease versus tilneplots are shown in Figures 2,9, 3,44, and 3.45.

4.6.6 Construct Graphics-Driver File

Entering a choice of 4 in respor|se Lo the OUTPI.,OT main rnenu allows the user to construct plols in a,

form l,haL can be read by a graphics output device, 'I'wo files are manit)ulated: ['or input, an exislingplot-definition file is required; for output, a graphics-driv(:r file is created, (see the beginning ofSection 4,6 and Sections 4.7.12 and 4,7.i3). T.he plot-defi||ition file is spe.tiffed upon initial mltry intothe OUTPLOT module, before the OUTPLOT mair_ menu is presented (Section 4.6.2).

l:*,pl t , ){ )'+ @, ,i lr, tpq, ,,pqr_ , ,x,, 'I'"'" ' S''lIIt rll 'I " Irllpllq'IP"ll' ,,itlF, irl,_i+ '" wrllPllll''''Pa Pl" 'mlalI++ll_l "IPll ,,,irpl,i 11[I,,I"_"'lip ..... +,i,

,t,6, COMPUTEI?,-G'IL4PHICS MODULE (OU!I'PLO'F) 201

OU'I'Iq, OT prompt,s for the n_-une For l,he graphics-driw:r file iillmetlia.t,ely aft,er select, ing clloice 4 t'rolnl,he OU']?PI.,OT rnaill lllenu:

ENTER OUTPLOT GRAPHICS-DRIVER FILE (DEFAULT=OUTPLOT.DRV):

Aec.epl, a,I)le file nmnes are discussed in Sect, ion 4,2.2,

117ali ploL-da, t,a file nallles have been specified in l,lle ploL-delinit, ion Iile, OU'I?I_I,O"I ' proceeds t,o

construcl, t;lie graphics-driver file (below), If rely plot.-dat, a file. names are nfissing (see Sect, ions 4.(;,3,4,6,4, and 4.6.,5), OI.J'I'I'I,O'I' prompl, s Ibr l,he nalne.s, It' t,lle missing [lies are lhr S'Pti3AI)Y plots, t.he

following prompt, is issued:

'1'he deft-mit, file r, mne could be different, if a. S'I'I.!',A I)Y plot-data filt_ llad beell defined ea.rlier iii l,ll¢_

session, Aft,er the user enl, ers a S"I'I!;AI)Y plot,-d_Ca file Ilallle, the pl'Olnl)l, is repeated, alkd rel)(:at.edu_(,il no more file naiades a.re (mt,ere(t:

Up 1,o fen S']'t';ADY l_lol,-daJ:a, files cml 10t-,specitic, d.

II' plots for DYNAMIC:S resull,s are defilmd, btll, a. I)YNAMI(:S ploL-(la.l,a file is uoL SlmCified iii t,lle

l:,lol;-defillition file, tile t'ollowiJlg prolnl_t is issued (ag_dll t,lle ¢lel'a.ult, file ll_lll(: could be dift'erezll,):

ENTER DYNAMICS PLOT-DATA FILE (DEFAULT=DYNAMICS.PLT):

1t' plots for TI/.ANS rcsull,s are defined, but, a, '.I'I(ANS l)lot-daJ, t_ [:ii(, is not ,'.;l)ec.ilied in (,li('plot-definit, ion file, t,he followizlg prompt, is issued tr,he det'a.ult file naltru could be different,):

ENTER TRANS PLOT-DATA FILE (DEFAULT=TRANS. PLT):

OUTI"I.,O'I' now reads t,he. individua.l plot, bloc.ks from l,he plol,-defilzil, ion file, a.__d c.onsl,ruc.l.s glw

grtq_hics-driver tile, wril,ing a. sl, at,us message l,o the screen l,elli_g each plot, Lira,t. it is working or,. (At,this poinl,, for some i_sl,a.llal, ions of TOSPAC, l,he act,ua.l plot, s will al:,pe.a.r ol_ l,he user's t,ert_it_alscreen, In these cases, aft,er a, plot is drawn, il, will relnai_ on tilt; screen unl, il t,tm user m_t,ers a. <U.lg>.

The next, plot, will l,heI_ be drawn,) 'l-'he following is a.n exalnph.', o[' l,lle sl,al,us _l_essa.ges wl'itte_ I,o l,hel,erminal sere.en.

STEADY PLOT SECTION

CREATING MESH PLOTS.

CREATING VELOCITY VS. ELEVATION PLOTS.

DYNAMICS PLOT SECTION

CREATING CHARACTERISTIC CURVE PLOTS.

CREATING WATER MASS PLOTS.

TRANS PLOT SECTION

CREATING RELEASE PLOTS,

CREATING CONCENTRATION VS. ELEVATION PLOTS.

262 CIIAP_I'I,,'I_ 4. (;I'_Nt_H,AL I_I_Ii'I,3_.t,:NC.'I(_

Wile.'.. t,he _,ndo1'i,lle t:,lol,-defillit,iotl Iih: is rc.',_.c',lleda.lld _).1,1I_lol,sh_.webc:c_llc'.ozlsl,l'tlc'.i,edoil t,hc,gea.I:)hic's-driv(.;r file, i,lle l'ollo,,villg zlle,ssa.ge_q)l_ea.rs:

NORMAL OUTPLOT TERMINATION, ?? PLOTS PRODUCED.

where i,he _luesi.iotl Illa,rks _:u'erel)l_ced by (,he al>l>rOl:)l'i_).i,eilulnher, 'l"tietl I,lle O l.J'l'l_l..O'l' llmill I_l_'lJurea l)l)_;ttrs on l,he user's tornli,ia.l screen,

'l'he gI'_l.I)llic:s-cll'ivel'fil¢_eo_(.ai.s 1,1_¢;ploi,s il_ a,gr_-).pl_ic'.sla.gU_.g¢',ei(,hel' i_l i,h_ fiI_a,ldriver la,nguag(_'of(,he gral)l_i¢'.s device, or solne, i_i,errnecii_:_t,el_mguag¢,.(.l_(, l_t_sl, I)e l)O,_tl_roces,se.c[before, suh_nil, i,_.di,o a.gra.phies device. Iri eit, lu._rcase Lhe file wil[ prob_d_ly I)e m_ _ll_t'orlna.i,(,edfile (bina.ry), _.l_c[(,fie use/'would uol, be a.ble t,o ex_urli_le or c.'.c[i(,ii,, '1'o a.c(,utdly c'reim:, (,lie plol,s, l;lle user I_us(, s_,,nd (,l_c.,.

gra.phic's-drivee tile (,o t,l_eal)l_rOl)ri_e gra.phics dc'vie'e,wii,h _ c'orrHllm_d t,o exe.c;ut,e ii,, 'l'his proeo.s,_ issysl,elri-del)elic[elll,. 11,is l'c_colrl_er_ch_dt,[l_:_(,(,he user c'.ol_(,_,cl,(,herliall_tg(.r or co))sult,_mt,for 1,11(_cc)_)_l)U(,ersysi,e._n(,ha.(,is bei_lg used 1,odei,erlr_iue i,hc.:_lec(;,s,s_:).rye.onH)la,)_c[s(or l)roc(:dures),

4,7 ' _ 'PA(' ,' '', 10,_o ., 1 11,I!,,_ 2(i;;

4.7 TOSPAC Files

Tile 'I'OSPAC, rno(:lules comnmlli('.al,e wit,h ea,cl_o[,l._r (,llrollgll dal,a, files, 'l'll(_se files are zla,Illed by (,l._user during exe('.ul,ion of 'I'OSI'AC',, alld retnaill availal_le 1_otil(: tls(.,,ral, I,Ile collll)l('l,iol! ot' a 'I'OSI'A(',run, ilowever, l;he 'I'OSPAC Iii(; syst,ell_ has I)een (l('siglle_l lo I)e op_ulUe 1o {,1-.!tls(_r, 'l'Yl)ic'._dly,t,ll_ userwould oilly lle(.'.clt,o kllow o[' l,he inl)Ul,-(lat,a files alld l,lle gra,t)hics-driv(:'r file (wllicll, a,l'l,era. 'I'OSI)AC,l'ul_, the lJser would s_l)lllit, t,o l,he gral)llics device availal)le etl IJis ('(,nJl)Ul,('rsyst,elll),

']'OSPAC uses l)ol,h foi'J1_a.t,t,ed (l.exl,) and unlk)rl_m,l,l,(.:d(bil_a,ry) files, 'l'('xt, files _tr(:,us(_dwl_('re ii, isiml)orl, a.nt,['or the user 1,ol)e able _o read or (:rca,l,e l,ll_m (e.g., i_li)ul,-(lat,a fil(_s, i_ii,ia.l-(,o_(lil,io_ files,l:,lol,-definil, io_l files, el,c,), 'l.'Im binary [i](',scan_ic,l, be _'xa_lli_ed or _l_odilied l)y l,l_euser, lii_a.ry fil(_s_-u'eused t,o mi_infize Sl)a,c(.'(e.g,, l)lol,-(la,l,a fih.s) or where reql_ired by exl,er_la,l (levices (e.g., gral,l_i(:,s-,Iriw::rfiles). Binary files co_t,ai_ d_:d,a,as il, is sl,ored ill l.he c_)I_l)U_.(,r,told l,l_erel'ore,are _lla('l_i_,-(lep(_de_l,.Bina,ry fih:s ['ro_l_e_(_[,yl)e o[' (_'oI_l.)ul,ern_ay nel, be r(.'a(la.l:)leby al_ol,l_er l.ype.

'I'OSt)A(.?, als() uses several "scrat, cl_" files (,o (,e.n,t)orarily sl,ore cl_l,a, 'l'l_(_selih's a,re au_o¢_a,l,ic.a,lly

(h-,let,ed by TOSI)AC: _md are riot, mel_t,iol.:_d il_ l,his scct,iol_,

A discussion c)t'each 'I?OSPAC file ['ollows. 'l'he discttssiol_ it_cltl(les l,lt(' for_nal t_allie,o[' LI_(,lih_, a,nd il,s

l,ypical defaull, na_(:', in va.rious 'I'OSI:'AC', i)ron_I)t,s, 'l'lte. init,ial deI'ault, mlsw(?rs t.o t,hese qtterit_s aret,ypically a.s shown (e.g., S'I?EA DY, I)A'I', S'I'ii;A I)Y, I)SI, S'I'I:;ADY,I.,IS, el.c,), llowever, it' atl iltl.)Ul-dal;afile l_a,d I)('en ('.rea.t,ed previotlsly i_l a 'I'OSI:'A(: sessiolt, cl!('_tt,ha.t, tt_llt(' is file default,, 'l'ltis sch(.!_l_el)resent,s 11ol)rol)le_n ()_I co1111)ul,ers {,ll_-tt,_dlow _ll,il)h' files wil, ll t,he sa,II1eI_a_('. 11',for exa,_nple,a,_oUi,l)Ul,-lisl,ing file already exisl,s wit,l_ l,lle ilmrle (.)U'I',I.IS, a_d l,l_is_a_m is I,I._.(lei'a_It l,hat, l,he _s(!rselects, l,l_e_a _le,w version or cycle o1'OU'I',LIS is creal,ed l)y 'I'OSI)AC, al_d l,l_euser llas l,wo files. I['ti_e user enters l,l_e na_e o1'an (.:xisi,i_g file ol_ a, ('ol_l)Ul,er sysl,e_r_1,1_a.l,¢1(,(:_t_of _dlow _n_lt,il)le fil_swil,h Lhc s_-m_ename, 'I'OS!'A(;: tel,urals _I_ error message a_d asks for a_(,1,1_(_rfile na,_e.

Also disc.ussed in (,lie [i)llowing sul)sec{,ions is I,l_el)llrl_()s(, ()1'eacI_ fibs, }_()wil, is _s(.:(lby 'l'OSI)A(:, th_,sul_)roul,i_w.swithin 'I'()SI'A(", i,l_a,l,rea.d _:u_dwril,e i,l_e,tile, and t_des('ril)(,i¢)l_of l,he file ('oni,el_l,s al_(l

t'or_nt_l,, l?',xanlples or r_:l'erences I,o exm_q)les a,re givel_ wl_ere a,l)prol)rial, e, l';xa_ll)l¢:s of I)i_rs' files ai'(_1_oI;give_ because l,he contel_l,s cal_¿_ol,I)(: l)ri_t,ed; for I,hese files, i,he l"Ol(:l'l(,A N sl,a,t('m(_lls l,llt_l, writ(:l,]_e files are giwm, and the user can surmise l,l_e ('o_[,el_l,s I);_s('_(lon t,l.-:se sl,al,el_(..'_l,s, '['he dis(:ussioll ofl,he gra.phics-driver file ('.ont,a.ins no exa.ml)h' or Ii'OI:CI?I:LANsta,l,e_enl,s; l.l_esl.ru('.l.,ure_)l'this Iii(' isconl, rolled I)y l;he proprietary CA-DISSI)I.,A so['l,ware.

l:'igul'(-:4.25 shows ,,vt_i('.llTOSPAC lno(l_h:_s use (,he v_u'ious 'I'OSi:)A(I files,

4.7.1 STEADY, DYNAMICS, and TRANS Input-Data Files

DcJ'a'_lt Name: lnil, ia.l (:h'.t'ault na_nes for STI!'A[)Y, DYNAMICS, a,_d 'I.'FI,ANSinl)Ut,-(lal,a files a.reSTIi;AI)Y,i)A'I', I)YNAM ICIS.DA'I', and 'I'I'LANS,I.)A'_[', resl)e.cl,ively, These defaults can cllm_ge a.s a

"rOSPACsession progesses.

| Purpose: The 'rosp:,c input,-dat, a files define l,he input, data _mce.ssa.ryl'or si,ea.dy-sl,al,e.-ilow and

i ransient-flow calculations nm.t,erial ca.l(:ulat,iolla,l n_esh [i:_rthet)ararrlel,ers, /.)rol)erl,ies,

inite-difference schem(_, I)oun(lary conditions, el,c,), a,l_d "'.ol_l,amil_a.nl,-l,ransl)ort calculal,ions (source

arameters, contaminant prol)erties, boundary con(lit,io_s, el,('.),

264 C:IIA P'I'EI_ 4, (_I,;NEI_,A l, I_.EI,'I';I_.I';N(71'',

F_igur(• d,25: Inl_'rr(.'l_(,ionsllil_ of 'I'OSPAC', files,_m=i

4,7. I OSt AC ./_1LI:,S 2(;5

Use: Use of {,he STEA I)Y inl_ut.-dala file by t,he S'I'ti_AI)Y nloduh, i,_discussed in Sccl,iolls 2,6, 3.2,and 4.3. Use oi" t,he I)YNAMI(IIS inl:>ut,-dat,a file by tll¢_ I)YNAMIC.S tnodule is discussed in S¢,('!,iolls3.1and 4.4. l,Jse of t,he 'I'RANS input-data file by the TRANS module is discus,seri in Sections 2.7, 3.2,and 4.,5.

7_pe." Input, t,o tJle calc ulationaJ _nodules (STEAl)Y, DYNAMI(:S, and TllANS); oulput t'rolnl Nii)ATA.

Read ,5'ubrouln_e: Subrout, ine SINPU'I' reads S'I'EAI)Y and I)YNAMI(N inptlt,-data lilts; sul>r(ml.iw.,'I'X'I"I N VI' reads '['RA NS input.-data file,,s.

(:re,_lc SubrouliT_c: Various subrouti_ies in INI)ATA.

l"ormal: Text. ["lie.

!2,_<_.:cr'ipt_oT_:Sect.ion ,1.2 contains a collll_le!,e description of t,lw dat,a thai 'I'()SPA('. ii,put-ria1 a lil,'shold. Wha',. follows ht,re is ,'-tdescriptioll of tll¢, si.rLlcture of these fil_'s a_,l tile rllles tLr t,lacelll,,l_t, ofdata.

Ali TOSPAC il_l_ul.-dat.a files are seqtl_,n('es of d_tla blocks collsislitlg of wt:'ious characler altd lllltllc, icdata and coJnl_lents, l)ala blocks can Iw in atly ord_,r.

'I'(3SPAC re('ogl_izes tl_e beginning o[' a data i>lo('k I)y a lil_, cu_l,ai_i_g _t1_'k_,yword IiI,()('K ,tiedam)l,her keyv,,ord, li_put-dala files use t.he [Lllowing k,.:.ywor,ls:

'I'I'['LE

('.O NS'['

(i:;EO LO

SATIi R

MA'I'E lt

MES li

BC)UN 1

SO U R.('

(2;ON'FA

I:"ILE

Keywords recog_iz_,d in STEADY i_l>Ut-¢lata tile's ar_:,,'..isI\,llow:_: "I'I'I'I,E, ('()NS'I', (_t'._()iA), MAII';It,MESI[, BOI.tN[), atm ["[[,E. Keywords r(.cog_ized i_ I)YNAMI('S i_,Imt-ttala !ih,s ar,. _s ti,ll,)w_:

_] "F['['[,[:;, ('()NS'I', (,I_X)[,(), MA'I'I£t(, MI:;,";It, [](){?N[), iN[li, arid ["ii,i';. [_,,,,'w<:)rdsrec¢,f,_iz,.<i i_- TRANS i_put-data tih's are a.s follows: 'IT['I:I';, SC){.:lt(', (_;1:;()1,(),SA'IU t'l, ('()N'I'A, l_()t! :\1). INIIi.

-;N;lm ahd FILE. Keyv,,ords NII:;Stt and FI[,[(; must t,e followed by a sl:act, ([iv,. char:_ct_¢s lotal)' _tl_,,r-_ keywords can be end:>edded in text., l,,i¢,yw,ords('a_z t_e writtczl in an': coznbiz_z_fiozzof upp_,r ,_r ]<.a,<¢'r

=_=|51!

'2_i6 CItAPTEI_ 4. (,ENEtL,_ REb ERb, N(,I.,

case and can be parts of longer words; e.g., "Constants Block" is an acceptable block designator. Theuser must not combine BLOCK with another reserved word anywhere ezcept ill the first line of a datablock.

Input data are of two types: character and numeric. (_'haracter data are the problem title, notes, names

of geologic units, materials, and cont.'tminant, s, and names of files, Character dal,a can be arbitraryst,rings of characters up to 80 characters long, e×cept for names of files which cannot include spaces or

tabs within the name. If the character data begins with spaces or tabs, these characters are stripped offbefore TOSPAC uses the data. The vertical-bar character ([) is a special character in titles and names:it, can be inserted within the I;itles and narnes to force OUTPLOT to make a line break at that positionwhen computer graphics are produced. The vertical bar is removed when the character string is used.

Numeric data are formatted a.s follows:

1) zero or l_ore spaces or tabs,

2) a number (integer or real, in any F()l_'rRAN-rc(:ognizabh_ format),

3) one space or one tab,

4) a character string containing t,he units comment (optional),

5) one or nlore spaces or tabs,

6) a character string containing a comment (optiotr,,l).

The number must be irl the first, 20 characters of the line, The units and the comment are optiollal, ifa units corjmaent is included, tile number and the unit,s should be in the first 20 characters of the line.

If a units conament is not, included, a minimum of two Sl.)a('es or tabs must be present [)et,weea thenumber and any or,her conmlent,.

TOSPAC allows the user to place the units after an illput value in thr input-data file. But 'rosI'ACdoe,i not read and understand the units ......they arc only a note to t,t., user, TOSPAC, colJsiders theunits to be a special type of c(mmaent. During modification of an input-data file, the units rerJlaiJt

attached _(:)a value, but oi,her cormnerlts do not,. qb r,;'tam this fe.ature, there must br a single Sl)ace ora single tab bet,wee, t,l._ input value and the correspon(ting unit.

Whei_ INI)ATA creates a STEADY, I)YNAMICS, or TRANS input-data file, INDATA includesc(.)nlments that describe t,he various data elements, at_(.l t,h("user ia allowed to enter units. It, is perf(,ctlyaccel.,tablt" for t+heuser to circumvent INDA'I"A and create or _nodify input,-data flies with his or tiercornpul+_r system's text. editor. 'I'h<' user can then create or modify input-data files wit,h<)41tthecorllrnel_t,s, or with the user's own coinments. However, although tile number,;s and t,itles can t)(:,eltter(_dalmost in free format, three rules must be followed:

I) ali required block designators (see above) must be prr,sent,;

2) each line in a, block must contain at most one datum; and

_il 3) aii dar_a must, be in t,he proper order', as given m Section 4.2 (if a datum is unknowlj, type the__,ll word unknown .... t,he file will not, be sat,isfactory for a calculation, but at least proper order is

maintained)

-iii==,lll

4.7. TOSPAC FILES 267

A block terminator (a blank line, another data-block designator, or an end-of-file) is lmcessary, but isfulfilled by the first, rule,

Figure 4.26 shows all example of the STEADY input-data file used irl Chapter 2 in a minimized form,created on a text editor. Compare this figure with Figure 2.3. Note the absence of comments a11d howdifficult it would be to know if a mistake were made.

Example: Examples of S'FEADY input-data files are given in Figures 2.3, 3.20, and 4,26. An exmnph,.of a DYNAMICS input-data files is given in Figure 3.2. Examples of TRANS input-data files are giwmin Figures 2.4 and 3,2:1.

4.7.2 STEADY Solution File

, r _(" "_ ) "_ ,Default Name: S'I'Ii;AI)Y PSI (this default could change as a I 3S1 AC session progresses)

Purpose' The _:;3P_AI)Y soiution file defines the pressure-head values for a given calculationa[ mesh, as

constructed by the steady-state solver (STEADY). 'I'he S 1 t,AI)Y solution file is only us('d byTOSPAC as an initial pressure-head condition for a dynm_fic-ttow (1)YNAMICS) calculation..Th,,STEADY solution file is also called the initial-condition file when used a.s such by DYNAMICS.

DYNAMICS can use a facsimile of a S I LAI Y solution file as arl initial-condition file (discussed below).

Use: Cr_atmn of the STEADY solution file is discussed in Section 4.2.11; its use by the DYNAMICSmodule is discussed in Section 4.4.

c .... )"" '"' (can be used as input to DYNAMICS),7'ype." Outpu(, from ,91 J.at:_

t_.ead Subroutine" SINPUT (if specified by name in a file block in a DYNAMICS input..da.ta file) orI)INTLZ (ii"specified by default,).

Create Subroutine: SI I Wt111_,.

f'br'mat: 'I_xt File.

De,seriplion: The STEAI)Y solution file is writ,terl with the followhig FOII:I'I{AN st,alem(!nt:

WRITE(ICFL,.) (PH(J), J=JR:I:N, JM._X)

'1'o elaborate, it, is written as a sinai)le free-formatted list. of the pressure-head wdues at every meshpoint. In DYNAMRI:S, the initial-condition file is read the salne way. Thus, I)YNAMICS cml wad anylist, of p.tlmbers as ata initial condition.

The user can construct an initial-condition file by making a list, of r,'al numbers: the first tmmber iathe list, is the pressure head that is to be assigned to mesh-point number I; the secon,t nulnber in thelist. is the pressure head t}_at is to be assigned to n_esh-point ro,tuber 2; the third nund)er.., etc.

This feature is useful for siI,mlating a column that is initially dry (or at, least, near residual sataration).

-I For instance, the user creates a list. of nuznbers as Ioiiows:

-1.. g+g

. .. , ., .i.. '- ' lp _1

)r 1 1 -1 1 • - _ i -I268 GilA I 1 BR 4. GENERA L lt_,F I,_RENCE

title blockSimplified Mill-Tailings Problem

constants block1000.4.3E-61 .E+60.10.5topbottom0

eologic-unit blockunit 1SandstoneO.100.11O.O.O.

material-property block1material 1Sandstone (van Genuchten, 1980)0.25II.0.6120.7910.41.25E-5

mesh block5001submesh 1O.100.500

boundary-condition blockiI

snapshot i0.12O.-1.585E-I0O.

file blockSTEADY.PSISTEADY.PLTSTEADY.LISI

-,| b'igure ,t.26: STEADY input-data file crealed by a t'ext editor, containil3g the sanie dat, a as the input.-data-_.| file shown in Figure 2.3.

, '1 ill4 7, TOSPAC _ILLS 269

-I.E+5

-1 .E+5

-i.E+5

More than one number call be o,1 a line; nund)ers must be separated by space.s, tabs, colnrrlt_, orcarriage returns. If this list is entered _s an initial-collditkm file for DYNAMICS, I)YNAMI(.',S se_severy mesl',' point to an init,ial pressure head of --10 5, which in the c_se of nlost characterisl,ic curves isvery near residual saturat, ion. (Note that van Genuchten-defined characteristic curves approach apressure head of negative infinity at, residual saturation, and therefore, residt_al saturation can never I_ereached. Note also t,hat the above initial condition can be entered without using a fih', by choosing aninitial-condition flag 3 in tlm initial-condition block; Section 4.2.12.)

Be.cause I)YNAM1C, S is not particular about the Iii,.: it reads for an initial condition, l,ll(._user CaZlinadvertently enter the wrong data, DYNAMIC, S will only issue ar error if the file; is too short (i,e.,does not contain a number for every mesh point); if t,he file is lo,g enough, DYNAMICS will acceptany list ot' numbers.

Example; None.

4.7.3 STEADY Output-Listing File,t

'"" " eSt AC session progresses)Default. Nam.e: S .[LAI)Y.IAS (this default could change ns a T "') "'

Purpose" The S'I'EAI)Y output.-listing file contains the res',:'!,s of a steady-state calculation iii tabularft,rra. It, is used primarily to check the detailed behavior of one or inore variables.

: Use: lhc S.I I_,AI)Y output-listing file is mentioned in Sections 2.6 and 1t.2. Section 4.2.11 cent,lilts a.discussion of how to control the arnourlt of data written to the output-listing file.

7'ype: Output from S'I'EADY.

Read ,5'ubroutme." None.

Create 5'ubroutine: SIN WII,ITE and SITWRITE.

Format: Text .file._

" Description: The STEAI)Y ,.,utput-listing file repeats the S'I'I;AI)Y input-data file that wa,s used t,o4 create it,; this repetition is to create an audit trail.i:m

r,After the replicated input,-data file, the. S'I'EAI)Y out l_ut.-listitig til(, cent;tins t,he results c,f the

•' S'rEADY run. First, a list. of mesh points where the s(,ltlt.ion may be unacceptable is giv,,n. [t,:re, ifI bile CS.I(;UIItLC.U IIUX t'Xv.t'l_tlb t,ll{'3 llllt)t)Dt._U 11112,. (bllll_, Vt-l, lllt'_ 1_ IXllt.)'_%'ll tl.a flit: Ill.l,h k.lLZVlt,%t, lk)ll] liy [iiO[C t,,_xt_

10% anywhere in t.lle solution, then a message is writ, fen for each mesh point where tiffs ('onditioll..al

occurs, reporting t,he flux deviation, the mesh-point number where ii occur,s, a_jd the corresponding|lie

270 CIfA_ I ER 4, GENERAL Itt_JI_'EI{t,;NC;'E/

,,_ , //

elew_tion, If Lilt'. caleu._a(.,ed/tlux does not exceed the i_nposed flux by rnore than 10% anywhere, (,herronly a single message is given,'rep0rging thegreatest flux deviatdon, the lnesh-point number where il,occurs, and the corresponding elevation.

Nexi,, information concerning the condil, ion of t,he ehi,ire colunm is presented,

1) The average saturation of the ehi,ire coluiml.

2) 'I'he total voi(l volume of the columll (the sum of the volume occupied by air and by water),

3) The volume of tlm colunm occupied by water.

,1) The volume ot' the column occupied by air,

5) The mass of water ill t,he, column.

The boundary conditions t,hat were used in the calculatio_t are. stated next,

'I'hcn, iii tabular form, the final conditions at each mesh point are given. The number of mesh poin/,sfor which va.lues are written can be controlled in the tile block of the S1 i,ADY input-data file. 1h :'table columns are dc,fined a.s follows.

1) The, mesh-point, number (J),

2) 'l'he correspollding geologic-unit, nuliibe.r (UN i'I').

3) 'I'he Jnatrix-nmterial number for the unit, (MAT).

4) 'rbe t'racture-lnaterial number for the unit (FRK).

5) The corresponding elewCdon (Z),

6) The conlputed pressure head (PIt, ES HEAl)) .....the variable for whi.'h STEADY acl.ually solves.

7) rI'he rat, io of how much the calculated flux in t,ll_ cornposite llmterial (ii,e., both matrix and

fractures) (teviat, ea f'ro_n _;he imposed ttux (QDEVIATION) .....wnu_til,ly this value by I00 i,o Illa.keit, a percentage.

8) The calculated ftux in the composite material (I"I,UX).

9) 'Itie ca.lculated flux in the matrix (FLXMAT),

10) The calculated flux in the fractures (FLXFRK).

11) The calculated hydraulic conductivity in t.he colnposil:e material (1tK).

Following this group of results is aiiother section of colunlns, as follo,,v:_:

1) The mesh-point, number (J).

¢)_ r!"'.l ................. )', ......... '* ......... I-_. /llR'llrl'_

_,) II 11(; L.k)ltl_._I/_,Jl|klllt_ tllllb llUtlllEl_.-I _I.)l_l lt J.

;I 3) The mat, rfx-material number for the unit (MArl'),_|

4.7, TOSPAC FILES 271

4) The fracture-rnaterial number for the unit (FI{K),

5) 'Pile calculated saturation ill the COml)osite material (SAT),

6) The calculated derivative of the saturation with respect to pressure head in the colnpositematerial (DSA'r),

7) The calculated saturation of the matrix (SATMAT),

8) 'I'he calculated sattlration of tile fractures (SATI;:I:{,K),

9) The calculated average linear velocity of water in the composite material (VEt),

10) The calculated average linear velocity of water in the matrix (VEI,MAT).

11) The calculated average linear velocity of water in the fractures (VI!:LI_'RK),

The final part, of the STEAI)Y output-listing fih: gives G V'/'I"I' information for the distallce betwce,tthe start, and end positions specified iii the constants block of the S'I'EAI)Y inl_ut-data file. Fourtravel-time values ;tre specified: the minilnum, or average-fastest-particle travel t,inm, thecomposite-velocity travel time, the travel time of wat,(_rin the lnatrix, and the travel time ot' water illthe fractures (Section 3,2). In the travel-time calculal.ions the part of the distance not; carrying al least1¢7¢of the ttow is olnit, t.ed, because often the travel time is extremely long iii these areas (when thevelocity is zero, the travel time is infinite) and would thus not be useful int'orlna_,ion. This 1% cutoff ispresented as a reminder in the last, line of the STEADY output.-listillg file.

Example: Figures 2.5 and 3.22.

4.7.4 STEADY and DYNAMICS Plot-Data Files

Default Name: Initial default name for the STEADY plot-data file is STEADY.PH'; default name forthe DYNAMICS plot-data file is DYNAMICS.PLT. These defaults could change t_s a T()SPAC. sessionprogresses.

Purpose: The STEADY plot-data file stores input data and calculation results tbr steady-state tlow. lt,is used by TRANS t,o provide the hydrologic background for a transport calculation., ft is used byOUTPI, OT for plotting steady-state results. The DYNAMICS plot-data file stores transient-flow inputdata and calculation results, lt is used by OUTPLOT for plotting transient-flow results.

Use: Creation of the STFAI)Y plot-data file is discussed in Sections 2.6, 3.2, and 4.2.11: its use by theTRANS module is discussed in Sections 2.7, 3.2, and 4.5; its use by the OUTPLOT module isdiscussed in Sections 2.8, 3.2, and 4.6, Creation of the DYNAMICS plot-data file is discussed inSections 3.1 and 4.2.! 1; its use by the OtITPLOT module is discussed in Sections 3.1 and 4.6,

Type: 'rbe S'rEAI)Y plot-data file is output from STEAl)Y; input to 'I'I_,ANS and OtI'I'I_I_OT. TheDYNAMICS plot-data file is output from DYNAMICS; input to OUTPIA)'F.

Read Subroutine: TINPT, ttINIT, and IIDATA.

-__ Ureate Subrout'_ne: blN WIt,I'I'E and SI'I'WRITI_ create the S'I'I'_ADY plot-dat.a iile; I)INWll, I'I'E al_l

i_ DITWR, ITE create the DYNAMICS plot-data file.-=i

272 CflAPTI'SH, ,t. GI'JNEI(,AL II,li'I"Ii;t{I';NCE

For.mat: Bindery file.

Description: l_,eca.use tjle plot-d_tLa files _.tre writ,ten in binary forrn_.tt (t.he t'ornla, t thttt is used inside

the compnl,er), they cannot be examined or modified by the. user, Binary f'orma.t is used for these filesbectmse it, l,ypictdly requires less spa.ce anci is more quickly read by t,he colnputer, but _lso bec_mse the

user should nol, be extmdning or modifying t,hese flies,

'Po describe these tiles, l,he I"OI{TIt,AN st_l, elnents us('d 1,o create l,llenl _tl'_ pres,.ml,ed below, In the

following list, illgs, HPI/1'VI, is the vt_riable l;hat c.ont,a.ins tim I"()IiJT'I{.AN logical-unit nuntber for theS'I I!3AI)Y trod 1)YN A M I(3S plot-dtl.l,a files.

Notice Lh_t. lnany ot' t,he w.lriables concern tilne; l,hese variables _re not, used by S'I'EAI)Y, bul, _..m_

included for eol_lp_-t(,ibility wil, h _,he I)YNAMICS plol,-dat, a file, Tin' S'I'!!;.AI)Y l)lot,-dal, a file is aln_osl,

i,l,,nt, ic_d t,o a I)YNAMICS plol,-dat,_:_ file; l,tle only difference is (,hat, in S'I'EA1)Y, one sect, ion of sci, u[_

(t;,.ea _Lll(t one sect, foil of r(_sults _re writ, unl; in I)YNAMI.C,S _:_fl,ert,he set.ul)-(tat_ sect, ion is writl,ell,

Ilmltipl,, copies of the resull, s l:_re written .......one copy for e_(:h time sn_:tl)ShOl,,

'l'he f( _m l','r [he sel;up-data, section R)llows, li'irst, til, le (la.t_._are writl, eu:

WRITE (HPLTFL) I+NUNITS+NMAT

WRITE (HPLTFL) PTITLE

DO 34 I=I,NUNITS

WRITE (HPLTFL) GTITLE(I)

34 CONTINUE

DO 36 I=I,NMAT

WRITE (HPLTFL) MTITLE(I)

36 CONTINUE

wher,. _ I+N U NITS'+NMAT is the _mmber of til, les, 1_'['1"I'1,1/3is the l)robl_._n tithe, GTIT1.V, ('.ont_d_,s the

n_unes ot' l,he geologic units, and M'I'ITI, Ii', contains the names of l.he m_tl.erials,

Nexl,, l,he nunmrical w_ri_d_les are written:

WRITE(HPLTFL) TCONVERT,ICONVERT,TMSG

WRITE(HPLTFL)

• IT,TIME,DT,ASAT,AWT,TOTVOL,WATVOL,AIRVOL,JMIN,JMAX

WRITE(HPLTFL) TIME,DT,RHOWAT,ACOL,STDY,FUDGEI,OMEGA,VAXMIN,

• VAXMAX,PI,JMAX,JMIN,IT,NDUMP,NUNITS,NMAT,MAXIT,NPRINT,NPLOT

WRITE(HPLTFL) (NOUNIT(J),J=JMIN,JMAX)

WRITE(NPLTFL) (MAT(J),J=JMIN,JMAX)

WRITE(HPLTFL) (MATFRK(J),J=JMIN,JMAX)

DO 38 I=I,NMAT

WRITE(HPLTFL) (SATD(J,I),J=i,8)

WRITE(HPLTFL) (HKD(J,I),J=I,8)

WRITE(HPLTFL) SATRES(I),BETAC,G,IFLAG(I)

WRITE(NPLTFL) MAXTAB(I),

• (PNTAB(J,I),3:I,MAXTAB(I)),

(SATTAB(J,!),J-!,MAXTAB(!)),

_i * (DSATAB(J,I),J:I,RAXTAB(1)),

4.7, TOSPAC FILES 273

* (DS2TAB(J,I),J=I,MAXTAB(I)),

* (HKTAB(J,I),J=I,MAXTAB(I)),

* (DHKTAB(J,I),J=I,MAXTAB(I))38 CONTINUE

NDUMP=I

WRITE(HPLTFL) NDUMP,

* (TDUMP(J),J=I,NDUMP),

* (IBTOP(J),J=I,NDUMP),(IBBOT(J),J=I,NDUMP),

* (FLXTOP(J),J=I,NDUMP),(FLXBOT(J),J=I,NDUMP),

* (PHTOP(J),J=I)NDUMP),(PHBOT(J),J=I,NDUMP),

* (PONDMX(J),J=I,NDUMP)

WRITE(HPLTFL) (Z(J),J=JMIN,JMAX)

WRITE(HPLTFL) (PH(J),J=JHIN,JMAX) ,

WRITE(HPLTFL) (AF(J),J=JMIN,JMAX)

WRITE(HPLTFL) (ACOMP(J),J=JMIN,JMAX)

WRITE(HPLTFL) (FCOMP(J),J=JMIN,JMAX)

WRITE(HPLTFL) (PORM(J),J=JMIN,JMAX)

WRITE(HPLTFL) (PORF(J),J=JMIN,JMAX)

WRI%E(HPLTFL)

* TOPMASSIN,BOTMASSIN,CALCMASS,

* ORIGINALMASS,WATERBALANCE

WRITE(HPLTFL)

* PPSTART,PPEND,

* PPAFP(KOUNT),PPCOMP(KOUNT),

* TIMEIN(KOUNT),TIMEAFP(KOUNT),TIMECOMP(KOUNT),

* ITAFP(KOUNT),ITCOMP(KOUNT),TTFLA_

whc're KOUN'F is tile number of tilne snapshots reached (EOUNT = 1 t'()r the setup-d_ta, section), told

t,he other variables and the quantities they represent g_re as follows:

1) TCONVI_3I_T (doul_le precision) is (,he (,into conversion factor;

2) 1CONVI!]I_I[' (integer) is (,he time COllV(u'sion ,,tl,nl>(;r from t,h(, inl)tJl,-dal, a, (",_(:;

3) 'I'MS(_ (chara, cter*8) is the tinm units;

4) IF (integer) is the number of iterations;

,5) TIME (double precision) is (,he prot)l(.nj (,iiII(,;

6) DT (double precision) is the (,inlest, el);

7) 'I'O'FVOL (double precision) is tlm volun)(:' of (,]Jv voids i. rh(, (:l)l ii,, colu)lln;

8) WA'FVOL (double precision) is the volunm of tile waler in l,h(_ colulllll;

9) A1RVOI. (double precision) is the volutlle of the air iii tile col_lzxm;

10) .RIIOWAT (double precision) is the density of water;

11) ASAT (double precision)is the aver;._ge saturation of the coluI,_n;

274 C,HAPTEt_, 4. GENERAL IHiJFEREN(:E

12) AWT (double precision) is the mass of water in the colunm;

Ill) JMIN (integer) is the mesh-point number of the lower boundary;

14) JMAX (integer) is the mesh-point number of the upper boundary;

1.5) ACOL (double precision) is the cross-sectional area of the column;

16) STDY (double precision) is the steady-state convergence-tolerance value;

17) FUI)GE1 (double precision) is the timestep factor; OMEGA is thc.' implicitness factor;

18) VAXMIN (double precision) is 10-as;

19) VAXMAX (double precision)is 10+as;

20) PI (double precision) is the circumference of the unit circle (not used);

21) NDUMP (integer) is the number of time snapshots;

22) NUNITS (integer) is the number of geologic units;

23) NMAT (integer) is the number of materials;

24) MAXlT (integer) is the maximum number of iterations allowed;

25) NPR, INT (integer) is the flag that tells whether to write the output-listing file, and if so, numberof mesh points to skip when writil_g the file;

26) NPLOT (integer) is the flag that tells whether to write the plot-data file;

27) NOUNIT (integer) is the array assigning geologic units to mesh points,

28) MAT (integer) is the array assigning matrix materials to mesh points;

29) MA'.t'FRK (integer) is the array assigning fracture materials to mesh points;

30) SA.TI) and ItKD (double precision) are arrays holdillg cn'_racteristic-curve information;

31) SATI{ES (double precision) is the array assigning residual saturations to each nlesh t)oint;

32) BETAC (double precision) is the compressibility of water;

as) c_ (double precision) is gravit, y (not used);

34) I[,'LAG (integer) is the array assigning characteristic-curve flags to materials;

35) MAXTAB (integer) is the array containing the maximum size of the characteristic-curve datatable for each material;

36) PItTAB (double precision) is the data table for pressure head;

37) SA'rTAB (double precision) is the data table for saturation;

38) DSATAB (double precision) is the data table for the first derivatiw: of the saturation;

39) DS2TAB (double precision) is i,he data table for the second deriw_tive of the saturation;

40) tlKTAB (double precision) is the data table for the hydraulic conductivity;

' 41) DHKTAB (double precision) is the data table for the first derivative of the conductivity;

.... _1 . n 14,7, TOSPAC f,ILES 275

42) TDU MP (double precision) is the array of time-snapshot _imes;

43) [tiTOP (integer) is the array of' upper boundary-condition flags;

44) IBBOT (integer) is tile array of lower boundary-condition :flags;

45) FLXTOP (double precision) is the array of upper-boundary flux boundary conditions;

46) FLXBOT (double precision) is the array of lower-boundary flux boundary conditions;

,'t7) PttTOP (double precision) is the array of upper-boundary pressure-head boundary conditions;

48) PtIBOT (double precision) is the. array of lower-boundary pressure-head boundary conditions;

49) PONDMX (double precision) is the array of maxinau_n-pond-heigh_ boundary c_)nditions;

50) Z (double precision) is the elevation at, each mesh point;

51) Pit (double precision) is the pressure head al, each mesh point;

52) AF (dot, hie precision) is the fracture porosity at each mesh point;

53) ACOMP (double precision) is the bulk-rock conlpressibility aL each mesh point;

54) FCOMP (double precision) is the fracture compressibility at each mesh point;

55) POgM (d,-'uble precision) and PORF (double precision) are the porosities of the matrix rnaterialand the ir,,..c.ture material, respectiw.'.ly, at, each Inesh point;

56) TOPMASSIN (double precision) is the cumulative mass of water entering (leaving) the top of thecolumn;

57) BO'I/'MASS1N (double precision) is the cumulative mass of water entering (leaving) the top of thecolu nm;

158) C,AI,CMASS (double precision) is the mass of water that should be in the column (the sum of, N _';TOPMASSIN BOTMASSIN, and OPdGI ALMASS)

59) O f:iJGINALMASS (double precision) is the mass of water originally calculated to be the column;

60) WA'FERBALANCE (double precision) is the mass balance---the difference between the m_uss thatshould be in the column (CALCMASS) and the ma_ss calculated to be in the column (AWT),divided by the the calculated mass (AWT),and expressed as a percentage;

61) PPSTART (double precision) is the start position where particles are released for tile GWTTcalculation;

62) PPEND (double precision) is I.he end position where particles are removed for the GWT'['( alculation;

03) I PAFP (double precision) is the array that keel,s track of the present positions of the averaget._stest particles;

64) PPCOMP (do_lbh, precision) is the array that keeps track of the present positions of the particlestraveling at t,he composite velocity;

65) TIMEIN (double precision) is the array that keeps track of the time that particles were relea.sed;

66'; T!MEAFP (do::No proe.i._ion) is t,he ,.:,.rraythat keeps trac.k of the present time for average t';mtestparticles--if the particle is removed from the colunm, the time the particle leaw:s is saved;

276 CHA PTEI_, 4, GENERA L t_EI,'Etl, I',NCE

67) TIMECOMP (double precision) is t,he arra,y tha, t, keeps track of tlm prescnl, l,inte forcornposit, e-veloci!,y parl, icles--.if l;he pa,rl,icle is removed from l,he colunln, t,het, ime l,he part, icleleaw..,,sis save:l;

68) I'I'A lep (inl,eger) is t;he arra,y t,ha,t, indicat, es whet;her an error ha,s occured in l,rackizlg a,vera,gefasl,esl; pa,rt,icles;

69) ITCOMP (inl, eger) is l,he array t,hat, indica, t,es whet, her an e,rror has occured in l,rackingcomposit, e-velocit, y part, icles; and

70) T'I'I"I,,AC.I (logical) is (,he flag t,ha,t, iJldica,tes whet,her l,raw;1 times a.re I,o be ea,lcula,l,ed.

l.'illally, tlm tbllowing resull,s sect,ion is wi'itt,en, ollce for a, STEAI)Y cah:tlla.tion, a,nd Imce for ew_rytinm snapshot, for a. I)YNAMICS caleulal, ion:

WKITE(HPLTFL)

• IT,TIME,DT,ASAT,AWT,TOTVOL,WATVOL,AIRVOL,JMIN,JMAX

WRITE(HPLTFL) (eH(J),J=JMIN,JMAK)

WRITE(HPLTFL)

* TOPMASSIN,BOTMASSIN,CALCMASS,

* ORIGINALMASS,WATERBALANCE

WRITE(HPLTFL)

* (PPAFP(I),PPCOMP(1),

* TIMEIN(I),TIMEAFP(I),TIMECOMP(I),

* ITAFP(!),ITCOMP(I),I=I,KOUNT)

E,r,ample: No,he.

4.7.5 STEADY And DYNAM" 7,S Saturation-Curve File

Default Name; SA'I'.C, RV.

t'urpose: 'l'he saturai, ion-curw.' file defines t,lle dat,a for a saturation characterisl, ic curve for a lnat.erialin t,he lnat¢,rial-property '-lock ot' a S'FEAI)Y or DYNAMICS input,-data file, The data are readdirectly int,o pressure-head and saturation data fables.

Use: l.isc of t,liis file' is discussed in Sect,ion ,1,2,8.

-,r, ia7}lpe: lnpul, to S I LAI)Y and I)YNAM1C'S.

Read Subroutine: SIN PUT,

Create Subrouti.e: None.

Form at.' Tex t, file.

4,7, TOSt_AC I;'II,ES 277

Descriptio_: The sal,uration-curve file must, be Etlfile tbllowi1lg formal,, The firsl, nunlber must be aliinteger that indicat, es llow rn_my d_t,a pairs are in Ciae(t_d,a,t,_:d)le(t,o a, lna.xitllttln of 1()00), 'l'lleremainder ot' I,he numbers must, consist, of order pairs of Imlnb(.',rs: a pressure-la(_ad valm: (sllottld I,e _tnonposiLive real Ilumber), imnmdi_Lely followed by a sa,t;urat,ion value. (shot.tld be a, real nutnberbetween 0 and 1, inclusive), 'Phc first ordered pair must be l,he pressure ht;ad alld l,h(:,sal.,ura.t,ioll (,b',s)corrt'.spondi'ng to the air-eutry pressure head, '.l?helasl. ordere(l pair must be l,he pressltre he_:ul _m(I (,ltesa,Curat,ion at the residual saturation fS,,), '1't1_:ordered pairs betweell tlwse ext,relnes lrmst, I:)(,decreasing in l)ressure head (i,e., t,he pressure head values intist, progress t,o ixlcreasing nega£iw: values),Figure 4.27 presents the formal, of a sat;ttrt_t,ion da,l,a ta.hie,

Example: Figure 4,27,

4.7,6 STEADY And DYNAMICS Hydraulic-Conductivity-Curve File

Dcfault Nam.e: II K,C,I:LV,

Purpose; The hydra.ulic-con(luctivity-curve file defines t,he (t_tl,_tfor a hy(lraulic-collduct, iviLyeharacterisLi(: curve tbr _.tnl_l,erial in the maLeria.l-t)rol:)ert,y block of _tST!!;AI)Y or DYNAMI(',Sinput.-dat;a file, The dal,a a,re rt-ad direct, ly into l_ressurc-hea.d aJld tlydratllic-c.ollducl, ivity (.lat,a. l,al_les,

Use:: Use of t,llis file is discussed in Sect,ioa ,'1.2,8,

C _7_pe: Input to S'I'EA1)Y and I)YNAMI ...S,

Read Subroutin.e: SINI:'U"I',

Create Subroutiuc: None,

Format: Text tih-.'.,

Descr'iptiou: '['he hydraulic-condtlc.tivit,y-curw.' file is idmltiea.1 in form 1,,.,a sat,urat,io11-curw:_ fil(_, ']'l_isfile must be paired wit,l_ a sa,tura.tio_-ct_rwz file, This file _ust, have t,he sa._l_ei_uml)er of l)oint,s as t,ll(.saturation-curve file; furthermore, ali oreh,red pairs ta_u,._thc al, the satn(_ pressltre-head values as {lte

corresponding poi_l,s ia I,he sat;ura, tion data t,al)h,, lly(trat_lic-co_(tt_ct, ivit,y valm_s sl_ouhl I)(:,i)ositivereal immbers, Figure ':t,28 presents an cxan_ph.', hydraulic-co_ld_._('t.ivity-curvc fil_',

Example; I"ig_re ,:I,28.

4.7.7 DYNAMICS Output-Listing File

D@_ull Name: I)YN A MI(',S, L,IS (this dcl'aull, could cha,_g_:a.s a 'I'()SI'A(.! s,.,ssi(,i_l)rogr_sses),

Purpose: 'l'he I)YNAMICS output-listing file defin(_s t,tw results of a l.ra_si('nt.-tlow calculal.iol_ i_lt,at)ular for_, lt is used primarily to check the (Icl,ailed behavior of _.,nec,r l_.)r_, w_riablcs.

Use: 'l'he DYNAMICS outpuL-lisLil_g tile is xnenl,ioned in S(,('t,ion 3,1, A discussion or how t,(,('(:,t,t,rol

the amount of data written to tlm outpu_,,-[isting file is giv(_n in S(_ct,iot_ d,2, ll,

278 CItAt 1 Ell, 4, GLNI,J_AL RI,_/_I'_t_t,;NCE

NUMBEROF PRESSUREHEAD(_ SO)

DATAPAIRS fSATURATION (0s S_ 1)

-a og99Q98 FIRSTPAIRMUSTBE"4 0,0999950 ATTHE AIR-ENTRYPRESSURE-5 0,9999872-6 0,9999723-7 0,9999468-8 0,9999066-g 0,9998461

-10 0.9997697-11 0.9996405-12 0,9994806-13 0,0992716-14 0,9990037-15 0,0986665-16 0,9982488-17 0,9977380

-18 0.9971213 PAIRSMUSTbE ATTHE-19 0.9963844 SAMEPRESSUREHEADS-20 0,9955124 > AS GIVEN IN THE-21 0.9044898-22 0,9033001 SATURATION MATERIAL--23 0,9910260 PROPERTY FILE-24 0,990349?-25 0,9885529

-BSO 6 0525328E-02-860 6 0524106E'02-870 6 0522955E'02-880 6 0521871E-02 _-890 6 0520850E-02-go0 6 0519889E-02-910 6 0518980E-02-920 6 0518123E-02-930 6 051731JE-02-940 6 0516544E-02-950 6 0515821E'02

-960 6 0515139E-02-970 6 0514487E-02-980 6 0513873E-02-990 6 0513288E'02

-1000 6 0512736E'02_LAST PAIR MUST CORRESPOND

TO THE RESIDUAL SATURATION

Figure 4.27: . ormat of t,h(, saturai.ion-curve lile.

.t.7. TOSPAC' F[LES "_

NUMBER OF PRE_SURE H,EAD (V S 0)DATA PAIRS //

/ ./HYDRAULIC C'ONDU, CTW.Y (K_ 0)

.. . 481482E-0'9_

-2 3 1481482£-0g "IP",-,,_. FIIRST-3 3 1481482E'Og . PA,IR MUST BE-4 3 1481482E-0_ AT THE A_R.ENTRY PRESSURE-5 3 1481482E'O0 --6 3 1481482E'00-7 3 14Bl4B2E'Og"8 3 1481482E'09-0 3 1481482E-Og

-10 3 14B1480E'0'g-II 3 _481475E'09-12 3 1481462E'Og-13 3 14B_442£-Og"i4 3._481402E'Og-15 3 1481320E"09,16 3 1481180E'09-17 3 1480940E-09-18 3.1480543E-Og"10 3,14798g'gE'O9-20 3,1478888E-O9 >PAIIRS _UST BE ORDERED-2t 3,1477332E'09 MO,NO'YONICALL¥ DECREASING-22 3 1474987E-Og-23 3,1471519E'Og

-24 3 1466_69E'00-25 3.1459244E-Og

-850 7,gB30629E'21-860 7.1058glSE'21-870 6,3572352E'21-SBO _.69469,63E-2t _-.-Sg'O 5.I075535E'21-g'O0 4,5865202E-21

-910 4.12353_C_'21'_20 3,711_,063E-21-930 3,3446285E'21"940 3,0172'025E-21-950 2 7249'611_-3_-'960 _ 4635801E_21-970 2 22_5997E-21-gSO 2 0_9g'078E'21-9'90 I 8317733£-21

-I0_0,0 ! 6627950E- 21 'q1_,LAST PA,_R :_UST BE

AT RESIDUAL SATURATION

Fig_ure ,I,,2_: [%rmat oft,hehydraulic-comluctivity-cu, rv. filc.

280 CtfA PII'Et_ 4. (; EN ERA 1.. t_EI.'ti;t._ ENCE

i/)i.,e. Oiit put. f'rolli DYN A hlICS.

Read 5'_.:bT'o_.tti_c.' Norm.

(Male ,_;ub',o'_ltine: I)INW[/I'I"E _nd l)l'F\._,r['l.['['[";.

Formal: "[oxt. iiilo.

.l)_:.,cr_pt'_<,_t; The coammt s of the I)YN A N!ICS OUtl,_lt-,l ist,i I_i/.','til_:,art., a.s f_,llows.

First, the DYNAMICS out.put-list, ing file repoats the I)YNAMICS illput.-data file that wa,s used tocr_,ate it.; this r.I, otition is to create an audit t.rail.

Noxt, the initial comliiions c,f t,he. l,roblenl are presented in tllrc.e part.s. '.I}, _ inforlliat ion concer_lingtile entire colul_lll is a.s follows.

1) 'l'he averag,:, saturation of l.he entir.e columll.

'.2 The total void v_,lunle _:_f'the colullin (t. ho suzn of th_.' volun._ occupied I_y air al!d t,_,' wat,,,r)

.'.l 'l'he volul'lle of rho colullm occut,ied by water.

,1 '['fie vol_lllle of rho ,':'oltllllll occupiod by air.

5 'I'he llia,ss (_f wat_,r ilt ltl,, COlUlllll.

S('('Olld, t,}lt" [_,:_lllldary colldit.iollS lh;tr wor,,, i.lS_,:tat. iho i,li'_ial tillle aro given.

Third, irl tabular ft,rill, the illit.ial conditions at each lneslL poiIlt arv given. 'l'ho number of llJesh ),oint.s

tk_r which values are written can be ('ont.roll+,d in the tile bl.ck cf the DYNAMI(;S input-data file, Thetable colutlms at,., defit_ed as follows:

1) The tn+.,sh.-l,(,izlt, numb+:'r (J).

'2 'Ihe ('orrespol_(tit_g g,i+,ologic-i_nit t_u_nb,.+r ([tNIT).

:_ 'l'he lnatrix-_Ja*orial num'b<,r for the uliit (MAT).

4 The fracturv-tnatvrial null+b,'r for the unit (l;'[tK),

,_i The corr,:spol.tditig elevatiolt (Z).

t; '.['he conlfmted pressuro bead (PRES ti EAI)) the variable for which I)YNAMI('S actually solves.

7 'lh,-, cal<'ulat,_d saturation in the coxl,q:,osite _nat_rial (SAT).

8 '.Ih,:_ calculated flux in the composit,.' _aterial (I"L(JX).

9 The ca.lc_llated averag,, linear velocit.y of water in th,. COllq:,osite rlmt._:rial (VI:q,).

10 The calcu}at,:!'d hydraulic conduct.ivity in the COiltpOstte inaterial ([tK).

11) The calculat#d capacitance (storage ,rapacity) oi" the colliposit,e materlaI (CAP),

4.7. T'OSPA(? t:'H..ES '2_1

1_) The ,:'alcutated derivative of the sat _rat ion with reslw.ct to prcssur't' h<.ld in th_, ,.,,Jjjpo_dt.,,mat.erial (DSAT).

Fk._llowing the initial coiMitions, t.he inff, rlll.aticm conccrni_Jg the st_t,, c,f _b<' pr'o}_h:r_j al _._,cb _i1_u!.

sllapshc, t. is prt_,st,llted irl fot|r p_rt.s. First., a suHHl_ary of th,' pr,.,!_J_'lll is I,r'<-s,'llt,-,.l, in,:'lutiilJg t]w star,,of' the entire colunln arm the re_sult.s of a Rlla,ss..balaltcc calc,_lat.k.m.

l) tlw ileration nunll:)_:.r;

2) the sllal)sllot, lmlnber:,

3 1}1_2l_robleltl _itll,:,',

4 t.lw hmgt.h of t.he i)revious t,ilnvstep',

Y) the average sat.ur0,t.icm of the tilt.lr,., coJu_ttlJ;

6) the total void voluim:, vf the colut_m (the sul_t of tlm volutm:, c,CCul_icd by air a_,t t_5,w_xt,,r);

7) t,h,:., volun,v of the column occupied by watt, r;

8 t.he volun_e of the coluctln o_ccupit'd |>y air;

9 t.he total mass of water iI_ th,:_ colu_n;

10 t.h_, culm_lat.ive _mss of water t.hat, t_,:s ent,"red {hrougl_ the to[_ of tile colui_l_,;

I I t.he cunmlative tnass of wafer tttat, has t:,llt.t:.'r{_d through the [)Ott,Olll _,)f {.lie C()]tllllll;

12 t.lm n_a.ss of water that. should be in t,he column (the sul_ of l,hc llla,Ss that, CF()S..%,'({L]If' [,_)U¢_,l;.trics

arid the t_a.ss t]tal, was originall.',. in the colt_nm);

13 t.he difference bvtweeI_ ',he total Inass o[' v,'aler i_ t.lw colunt_t and t.lw itla.ss that sllou[d [,,: iii t.[_,,

CO]I.IIIIII; alld,

14) t.he dilf_r,>_ce expr__ssed as a, percelll,age of the tot.al l_mss iI_ t[_e c,)[uttl_ (i.he III;iSS [_l];_ll¢'O),

Second, t,]m bou_Mary conditions t,hat. w,,r'e used at. t]w t,in,e s_apsh,..,t, ar,, given.

'Fhird, in t.abul_.tr ('¢),'_, the (int.erntediat.e) results at each _,esh point, are givcl_. '['h_' ,.abh, f,',r_l is l Jl_.san_e _-_sthat ,tescribed tbr t,he initial con_lit.ions.

l:"ourt.h, (;WT'l" result.s are presented (if t.he GWT'T ca.lculat.ior: was sp_.,cified il, the inl_Ut-dat _ tiic).

GW'["I' is calculat.ed by tracking the posit.ion of wat_cr part, lc!cs. '['h,, sl,'.tr't al]d ,'rid i,,:,siti,.;l_s f_,r Ilwcalculat, iol_ are given, followed by two tables. ()_w table presents the results I_r t.hc

average-[a.stest-particle lltet.hod; the other for t.h,_ comlmsit,_-velocit._; n_,'tl_od. I;_ot.h ta|,l,, ,:o_ll.aiu t.lw

R_l/ov,,ing i_dorn:mt.ion.

1) the particle number (corresponds to t,he srtapshot, nuttfber);

:2) the t,ime the particle wa.s released (corresponds t,o the snapshot, t,in_e);

3) t,he current, position of the part, icle .......or if t.he particle ha.s exit_:,d the GV',;'.I'T ravage,, either by the

start, posit.ion or the end position, then either the start, posit, ion or the end posil.io_ is given:

RLI" ERt',2\(,.E282 (/ttAI2"I'Et_ 4. GENEtlA1, _' "_ "''"

4) the current t.ime........or ii"t,he particle has e×it.ed die GW'PT range, t,he t,ime of exit,;

5) the travel /,ilne .....or if the particle is still h_ die range, a note st,atirig STII.,I., IN I-(AN(',I_: a l_d,

(5) in t.he event of an error in the part, icle tracking, the word WARNIN(.',.

The travel-time tables only list. released partich_s; i.e., particles t.,.)bc relea.sed al. future tillle sual,stlolsare not listed.

A particle flagged with the word WARNING has an inaccurate travel l,in,e. Typically, a reverse flowhas occurred, and the partich., hms exitted the GWT'T range via t,he start positit,tl.

Ea':ample; Figure 3.3.

4.7.8 TRANS Source File

l) efault Na m c' TRANS.SR(?.

P'urpose: The TRANS sc)urce file cont,ains the data necessary to define a source term for a t.ra_lSl,Orl.calculation. It specifies contaminant releases fron_ the source regioll at, given tinws. This file is (lseful

for t,ransferring _lat.a froln an independent source-ternl conlputer I)rogranl into 'I'OSPA(7!.

Use: Use of t,he TRANS source file is invoked by source-.terrll tlag 3 in the source block ()t"a 'I'I(ANSinput.-data, tile, as discussed in Section ,1.2. I3.

T'ype: Input t.o TI:IANS.

Read ,5'ubrout i_2e.' F{,g A I)SRC.

Create 5'ubr'outine," None.

For'mat' Text file.

Descr_ptio_J: '['he source file consists of a list, of real numbers. The first, nt, lut)er reprcs,.,nts a t.ill_,,.Then, a release rate is given for each contaminant listed in the contamil_aut,-1)roperty block. Th,: rat.,'., ist,he amount, of contaminant released into t.he source region per unit time. ekfter the release rat.es, a u(,w

time and new release rates can be given. The values for tinm and release rat.(:'can be l'ornml.t,_d in _,,'faMaion, but ea,ch new time must start on a new line. Any number is a.cc_,pted for time; the releaserat,_s must be nonnegative real numbers,

[ OSI"At,..,linearly interpolates t,he rele_Lserate from one t,inie to the next. For instance, coTJsidcr that.contaminant 1 has a rele:.._serate of 10 at time 0 that increases to 20 at, time 2: if 'I.'RANi'; t.ak(s a

t,irnestep from t = 0 to t = 1, it, uses a rate of 12.15(corresponding to the llSddle of the ti_n('stel),t =0.5).

It, is recommended t,hat the last time in the source file coincide with the final problenl tizam. If thetimes given in the source file exceed the problem time, the extra data at,, i.g_m,z'('dwh_m 'I'RA NS is

executed (except for the aext time after the final problem tin,e, which _=_¢:','be used for the linearinterpolation). If the problem time is longer than the la,st time given in the source file, ii, is a.ssunmdthat the l_st rat,es given are constant until the end of the problem.

4.7. TOStL4C FILES '283

'l'he source-tile, tonnat is summarized irl l_'igure ,t.2!/.

Example: Figure ,1.29.

4.7.9 TRANS haiti.al-Condition File

L)eJ}lult Name: '['RANS.CON.

Purpo,,_e; 'l'he 'Ii(ANS irJit.ial-coljdit.ioll tile dci:ines the iniidal concent, r_tti,.m dat,a tbr a 'I'I{ANScalcutat.ion. [1.is tlseful iri solving _elaxation problems; i.e., problenls cxantilling t.hc sl_rcad of _,dissolved contamilmnt, already l:,re'-;ent in t.he lncdia at. thf-' start of the probler|l.

Use: Use of axt inlt,ial-condit.iorJ, tile: is specified through m_ initial-.condi'..ioJl flag 2 in lhcinit,ia.l-condit, iozr block of a TRANS int)ut,-data file, as discussed iH Section .t.2. !8.

Type.' Input to 'I'ItANS.

Read ,5'ubroutzT__': 'I'IN I'LZ.

("vra/c ,5'ubro'uliT_<."N_.A'ie.

Fo'r'mai: Text tile.

l)escrzptzou: '['he il_itial-conditiotJ fih, is f'ortll:tttcd _.,,sa scqu_,ltce of groul_S. Each gro_tt) corJtaiJJs .!_tnesh-point nulllber and the co|tcentrat, ior|s ill t,he lnal,rix and iri t.h,: fractures for ali t.bc Sl,:cics. 'l'hat.

is, ;t group is of lhc for,,,' J, (:,_,,.i,(::),j, ('';;,,;' (".?,a" ...(.',1,,.,.,' (.J,./ , whet,.; ('i',,..i ind,cates tt,,: ,,,,'.trfixconcentrat, ion at, mesh point, j for contaminant, nullJl)('r i, aral I is t.hc rlt|inber of colllatrtitlant, Sl,cotesfor the problem. Wit, hizt a. group, t,he j|u|lfi:_ers can be [br_tmtted on lir|cs in any fa.shio_, I,tll, _;a¢'tlgr'oUl) l_l,>t, st._trt cdt a new lille. (.!oncen{.rations (,f conta_v_inar)t.s at any _wsl_ l_oi_Is t]l;tl, (1o 11(_I,appear in the ir_itia.l-condition file are a.SSUl[ledt,.)be zero. Every cc,_c(q_lrat,io_ value rlIIISI, I)('_onucgat.iw3. Figure 4.30 pr,.'.ser_tsan an_ioi.at.ed ,_xal_iple c,f ;lit il|itial--coi_dil.ion til,,

Exam.pie: I/'igurc ,1,30.

4.7.1,0 TRANS Output-Listing File

Default Nam.e: TRANS.IAS (t,his default, could change _t,sa TOSPAC s_-_ssionprogr,,sscs).

Purpose: '1'he TRANS output-listing file defines the result,s of a corttan|i_|ant-transpovt calcul;,tion i_tabular fornt. It. is used primarily to check t,he detailed behavior of one or _lor(: variablc, s.

Use: The TRANS output.-listing file is mentioned irt Sections 2.7 and 3.2. A discussi_)n of [tow t,ocontrol the amount of data written t,o the output-listir_g file is given in Section ,1.2.11.

r3(. ,'l_pe. Output from 'I'.R.ANS

l{ead Subroutine: None,

284 CItA/"I'ICt{ .1. (,ENEHAL Itl:_l l',Hl_,_ (E

CONTAMINANT1 RELEASERATE

F_ CONTAMINANT2 RELEASERATETIME__.. _--" --- CONTAMINANT3 RELEASERATE

"x f---lObO I 18080E'07 35880bE'Ol 7 52414E'041100 ! 7440OE'07 326308E-O1 7823}0£-04II&O 2 332BOE'07 438113E'01 100323E'0312OO 2 6402OE'07 4 6801}E'0! I Obg33E'03

1250 3 bb_OOE-07 B _6) tO_-01 170284£-031300 643200E-07 I 85_03E,00 3 7820BE-031350. 7 80BOOE-O? I 87204E,00 3 86100E-03}400 0 216[)0_'07 2 |7]04£,00 462011£-03

1450. I 02400£-06 2.11004E,00 462011£-03}500. } 17120E-06 ? 32705£,00 501_13£-03IbbO 132J60E°08 221008£,00 4 g8314£-031600. I 72160E-06 319808E,O0 666620E-03

1650 2.08320E-06 3 43200£,00 7 26023£-031100. } _5750E-06 16_007E,00 3 66318£-031750 I 86560E-06 2.15808K,00 4.42221£-03

1800 }.4720GE-0_ 5.5776i£-01 I 372gBE-03J850 125120E-06 3.75752E-01 7 4_634E-041900 1.27650E-06 3.b6253£-01 755834E-041050 119360E-06 1.1t[08£"CI 28_233£-042000 } 08480E-06 I 77241E'02 5._B822£'05

40000. 830400E'07 2 gQg10E'05 g 52380E'084}000. 6 27200E'07 2 _3_80E'05 g 33_00£'08

42000 6 2_000E'07 2.88470£'05 gI7400E-0843000 _ 20BOOE'07 2.854BGE'O& gO7500E'0844000. _.20BOOE'07 2.82100£"05 8.gB2BOE"0845000 517600E'07 2.77420E'O& 8.85060F'08

46000 6.14400E'07 2.74040E'05 8.77140E'0847000 8.11200E'07 270660E'05 B6bg2OE'O848000. 611200E-07 2 672BOE-05 8.54700£-08_000. 60BOOOE-07 9.63000E'05 8.43480E-08

50000 6.04BOOE'07 2 60520E-0_ B 3_560£-0860000 6BBBOO£-07 2.32830E-05 7 5_000£-0810000. 6 7_000E-07 2.14370E-05 7.17000E-08

80000. 5.69600E-O_ 2.00850E-05 8.B47&OE'O800000. 5 632OOE-O7 1.Bgo_o£-O5 8 84gBOE-O8

100000, 5,50000E-07 1.TgB30E-O5 6,45810E-08200000 5,40BOOE"O7 %.10288E'O5 578688E'O8

300000 5,37800E'O7 8.45260E'O6 5.60835E-0B400000, 5 376oOE-07 6.OB426E-08 5.B3113E-08500000. B37600E-O7 4.4021g£-O6 5.47371E-08600000. 5.3760OE-O7 3,17785E-O6 5.45_B3E'OB

100000 5 37600£-07 2.2_BB3E-06 5.415_6£-08BOO000 b.37600E-07 I 67041E-06 5.37506E-08000000, b37600E-07 1.20509E'06 5.337_8E-08

1000000 5 37600E'07 8.720_2E'07 6._3410E'OB

l"igure 4.29: Format of t,he TITANS source file.

4, 7. "1"0,5't'A C FI L l_iTS '2S5

..._I/....._---- CONTAMINANT1 MATRIXCONCENTRATIONCONTAMINAN'I1 FRACTURECONCENTRATION

/ff__ CONTAMINANT2 MA'I'RIXCONCENTRATION/ // /f /_ CONTAMINANT2 FRACTURECONCENTRATION

3 FRACTURECONCENTRATION

JIIlV_t',_:-.a O.,,,,-_, o_,'tZ-'l C.:L-, OS_-e O

MESHPOINT#...._,o__,,72_.+o,_L-_ o_7_-;, o2,-4 o.,b,_-t',o0 3E-4 O.BbE-6 ObTE-7 0.M.%4 O,BbE-ro 09t'lO 4E-,4 0 B6£-6 0 67E-7 0.4E-40,86E-60

O [,I_-4 0 BbE-80.b'tE-7 0 4E-4 0 _BF.-6 0

o,E-+ o..,,:., olOl

ONE GROUP 0 3E-4 0 [lbl:..6 0 bTE-7 0 4E-4 0 8bE-6 01020.2E'4 0.SHE-'6 0 67E-7 0 4E'4 0 eriE-8 O.1030 1£'4 O.BbE-6 0.57E-7 0.4E-4 0 8[;E-(_ 0

["igtlr(. 4.30' Forwllat, of t,ll<_'rlL, k NS iuit, ial-c(:+tlditic, n tiD.

(.'rea tc ,S'ub'ro, tin c: 'rX'l'l N Iv I', '-rl N'I'I,Z, 'I'\V l{['l _i'_,,;Lll(t _'l_;!_A I.,.

Formal: '['__xt file.

D('scr,l_h()n: The ,:orJt,{wtts of t.llc TIIANS outpllt.-lisl, itlg {lh, ar<, as rc,llc)ws.

"['he TRANS otit, l)ut,..li,'st.ing tih. tirst, ret)eats the 'I.'I_..ANS iilput-da.l.a til_' t,hat, vca.,s used to <'r_,+._t.,,.ii; I.Ili_ret>etition is t,o crc;_te a.u au<tit trail.

Next+, the it_it,ial c()udit.i()tas arc written. For t,he hydrologic (lltarit,il,ies, the water v(q(_('it,i_','-;for I,(+l.h fiji.

llmt,ri× arid t,lw fract.lJres, the tlaoist, tlre cont,(mt,s for tsoth th_ friar.fix and lh(, fra('tttr_'s, at_<l l}_<'cOltl)liagfact.ors arc, gi',,,(:'ti at, ea.ch niosh point,. For t,he t,t'a.ttst)ort, qt_a.ttt,it,ics, I,he _nat.rix ;tnd fra,:'t,tlrc i'(.1;tt'tl;tli()tt

('oelfici(:'t}t,s, t,he t_}at,rix and fract, ur(, dispersiott coelticienls, a_td t lw couplit_g t'act()rs are t_iv_,a _tt,_,+t('ll

tnesh point, (_)r each c(mt, ar_}it_a,r_t,.

I .,}¢' t'esult,,',; of the "I"t:t..A.NS rua are present, cd a<"xt. Firsl,, l,t+e t.ir_e--,'.;+_al_l_ot tit}le i,'.;,_,;,i,,,'c_,;_l()_g wit.l,

how tna.L_y iterat, ious were t,ak_'t_ t,o reach tile Sll,_tl)S]lOl,, ;tll(I t,llt'_ tirr_e:sl.(,p. Also. rho h(m_,l_tryconditions t,hat, were (.lefin<_d at, that, ,st_apshof are ;.;tat(:,d.

Next, on the oul,l)Ut.-list, ing Iii+:,are _lat, rix amt fractt++'<, co_c(,tat.rat, ic,n reslllls for each ('ot+t.a_it_;tt_t. 'rbe

c()ncord.rart,iot_ ','alucs a.re spccific, d at, t,he tnidpoirli, bc.iwec.,a sel('ct.ed mesh poit_ts. (Mesh I._c,iut,s arc

28(:; C?t-IAP'I'EIi 4. (.,I,NEtL4 L It.HlCl;_Ii.t,_N(71;_'

selected with the out, put,-listing con_,rol number given in l,he file block of' a 'I'RANS input.-dat, a, tile,Sect,ion ,1,2,11)The result,s are given in colunlns, as follows:

1) The cell nulnl:,er (C.ELI,).

2) The corresponding ullit number (UNIT #).

3) The corresponding elevat, ion a,t the center of t,he cell (ELEV).

,1) 'l'he concen_,rat.ion of the cont,anlinanl, in the llml,rix (MATH,IX C,C)N(.'.).

r-)) The concenl.rat, ioll of t,he cont,anliI_ant in t,he fractures (F'Ia_,AC'I'UI'(I!3CONC,),

i'ollowing t.lle concent.rat, ion informal:ion are dal,a concernilJg l,he nlass collservation in t.heconlputation. The nulJ_ber of it,era.t.ions and the l,ime are repeal,cd, then ;t t;d)le of mass-rela.t.cd v;tluesiS giVCll, s[,rucl, t.lr,,'d ill coltllllll8 /:l,s follows:

1) 'l"he Inllllber of tile ch_dn (C,HAIN).

2) The nunlber of the COlll,a..ininanl,iii 1,hechain (S]-'E(-.'.ll!3S).

3) 'Fhe na._ne o[' file contalninant (NAME).

,t) The ma,ss of the cont,anlillant, in sohll, ion ill t,hemat, rix MA'Fll.IX MASS).

5) 'l'he zlleLssof l,he conlanlinant in solut, ion in t,he. fractures (I"IIACTtJIt.I'; MASS).

6) The _nass of l.he cont,a,nlinallt, adsorbed olito l,he inal, rix (AI)SOIt, I_t,]I) MASS).

7) 'l"he ma,ss of l,he conta, nlin&nL precipit, ated out, of solution (PRECI P MASS).

8) The tna,ss of the cont._mlinant, ill the source (SO U['{(:[!3MASS).

9) The n_ass c,f' conl.arninant, entering t,hrough l.he top boundary ('lP I'I1)I{.YMASS).

10) The rn_tss of conta.minanl; entering t,hrougll the I)ot,tol_l boundary (I] l][)]:{Y MASS).

1t) '.File t oi,al li-!ass of co_l,a_ninant i_ the mesh, plus the a..rllOl.l_ltl.hal, l_as passed C_ll.l.lhrough I[_('

bou_da, ries, calculated by sun_rning t,he values i_ colum_s 4 throug]_ 7, plus the values in colun_ns9 and 10 g lhe_ arv 'nc.qative (MASS IN Mt::)Stt + MASS I{,ELEASEI)).

12) The tot, al mass thai, [l_s }:meninjected inl,o the mesh, adjusted by exponential (Bate_m.r_) decay, ifa,pplica.ble. This ttlllOl.lllt, includes ally init, ial-co_tdit.io_ mass, the mass l,ha,t ha,s:beell ren,_w'd

" from t,he source invent,ory, and any injection through the boundaries ......columns 9 and 10 g_1 positive .......(MASS IN.I ECTED INTO MESII).

13) The percent, dilDrence bet,ween t,he values iq columi_s 11 and 12; i._.., t.hc _,mss t,ala,_ce

: ( l' EI{,CEN'I' D l.gF).

'l'he final group of results is the amount of mass relea,sed a.l ea,ch t.in_esnapshol.. Resuli, s are giw:'.l_forea.ch contaminant, wit,h the information organized in colunms, as follows:

1) The number of the clmin (CtIAIN).

.......... ,............... , ...................... j, ..... _.... _............................................ iii., ,,, III _,Lll .... ,d_.,,!lhl,, .L, III , ,,, ,lll_

,t,7, TOSI_4C FILES 287

2) The nur, ber of the con(,alnirmnt irl l.lw chain (SI:)EC,II!',S).

3) The na,nLe t,he cont,axninant, (NAMt!.;).

,1) 'the _.ctual mass of the contamina.nt out,side the top boundary, wil.lt C:Xl.)ortential(Bal,(qna.n)decay taken into accould,, if applic_d)le (TOt' T()'PAI,).

5) The cunmlal, iw.' ina,ss of t,he contarnltl;.tnt, that, passed out t,hc top boultdary; i.e., t:o decay ('I'OPC 1.3MULATI V E).

O) The actual lna.ss eft, he conl,aminant out,side, i.he bot, l,orrl bounda.ry, wil,t| eXl)Onent,ial (Balenmn)decay taken int,o account, if applicabh-: (tie'['TeM T()TAI,).

7) T'he cumula.t.iw!_ llm.ss of the conta, ntinant, l.hat t)a.ss('d out the I)(.)l,l.,.:)lllboul:dary; i.e., no ttcc;ty

(I:_O"I?TOM CU M11bA"I'IVE).

li,'zample: I,'igures 2.6 and 3.23.

4.7.11 TRANS Plot-I)ata File

l)cJault Nam.c: 'I'F(,ANS.PI/I' (this default, could change as _-_'I."OSI'AC session progresses).

t:'u'rposc: The TRANS plot,-dal,_ file stores the ilq_ut data. ['or, a.nd l,he results from, a trmlsport,calculation. It is used by OUTPLO'I' for plotting conl,anfinant-transport, results.

Use.' Creation of tile TRANS plot-data, file is me_lt,iolwd in ,qecl,ions 2.7, a.2, and 4.2. l 1; its Ilse by theOU'I'PLOT module is discussed in Secl,ions 2.8, 3,2, and 4.6.

7}ll,e: Outl)ut file in 'FI:(ANS; input file for OI.JTPI,OT.

Read SubroutZnc: TIN I'I_and 'I'DA'I_A.

Create Subroutiue: 'I?XTINPT, TINTI,Z, and TWt'_ITE.

For'mat: Binary file.

DescT'iplion.: To describe this file, the FOI_Tt(,AN statetnent,s used to cre_tte ii, are presel,ted bdow. Inthe following listings, 'IT'PL"I'I_'I,is the variable thai, contains the FOI:(:I'RAN logical-unit, numtn_r for theTRANS plot-data tile.

I_'irst, in subroutine TXTINPT, title data and other input data are written:

WRITE(TPLTFL) NTITLE

WRITE(TPLTFL) (TITLE(N),N=I,NTITLE)

WRITE(TPLTFL) NUMSPC

WRITE(TPLTFL) (NCHR(1),RSPEC(1),

* hCTIVITY(1),ELIMIT(1),I=1,NUMSPC)

where the variables and the quantities they represent, are a,s fellows:

288 (71tAPTEI_ 4, (H,2,NERAL If,li:,I_'I,;I_,ENC!E

1 NTITLE (integer) is the rnnnt)er of t,it,les that are irl the TRANS illput,-dal, a tile;

2 TITLE (charact,er*80) is an array t,haI, holds t,he t.itles from t,he TH ANS input-data tile (Lhc

i:,roblenl t,itle, t,lle names of the geologic, ullits, and t,he haines o[' I,he conLami.allCs);

3) NI.IMSPC', (inr,egcr) is! the nuznber of conl, anlinant.s;

'I) NCIIN (ilm:_ger) is an array thai, cells in which chain each conl, allfinm_'t, belongs;

5) NSPFC (integer) is an array t,llaC l,ells t.he ordinal posit.ioxl in il,s chaill of ,m.ch conl,alllinant;

6) AC,']"IVITY (double precision) is an array ,.'ont, aining l,he activity tbr each conCalllillant: a.zl_l

7) ELIM1T (double precisioll) is an array coni, aining the EPA lixnit for each contmllinanl,.

Next., in subrout.ine 'FINTI, Z, dat, a c.on,:':rning t, tlc init, ia.1 sl,aCe of t,he problem are writ, t,eIl:

WRITE(TPLTFL) NHTITLE

WRITE(TPLTFL) (HTITLE(I),I=I,NHTITLE)

WRITE(TPLTFL) TCONVERT,ICONVERT,TMSG

WRITE(TPLTFL) JMIN,JMAX,NUNITS,NMAT,JMINS,JMAXS,NDUMP,AREP

WRITE(TPLTFL) (TDUMP(K),K=I,NDUMP)

WRITE(TPLTFL) (THM(J),THF(J),J=JMIN+I,JMAX),

* (VELM(J),VELF(J),J=JMIN+I,JMAX),

* (RATEI(J),J=JMIN+I,JMAX)

WRITE(TPLTFL) ((RATE2(J,I),J=JMIN+I,JMAX),I=i,NUMSPC),

* ((RETARDM(J,I),RETARDF(J,I),J=JMIN+I,JMAX),I=i,NUMSPC),

* ((DISPM(J,I),DISPF(J,I),J=JMIN+I,JMAX),I=I,NUMSPC)

WRITE(TPLTFL) (NOUNIT(J),J=JMIN,JMAX),(Z(J),J=JMIN,JMAX)

where the variables are a.sfollows:

1 ) T(".() N V EI:/:F, IC,ON VEIl;F, TMSG, J MIN, J MAX, N UNI'I"S, N M A'[', N 1)U M F', 'I'I)U M 1',

NOIJNI'I', and Z have t,he same _lmaning as in t,he STEAI)Y and I)YNAMICS l,lol.-da.t.a lih,s(Sect, ion 4,7,4);

2) NII'FITI,E (integer) is t,l,e nurnber of titles that are in the S'I'EAI)Y l:,loC-dal, a tile thaC '['i'(.ANShas read;

3) ltTITI,E (cllaracCer*80) is an array t,hat, holds the Cities fronl the STEAI)Y plol,-daCa, tile (I.he

problell_ tit, le, I,he t.lmnes of the geologic units, and tile m-mms of t,lJ_ lnaterials);

4) JMINS (integer) is the mesh-point, nun_ber for the lower boutldary of au illI,ernal source region;

,7)) J MAXS (integer) is the mesl>t)oint, number ['or t,he upper bollndary of an inr,cilia] source r(_gioll(note thai, for an ext,ernM source, JMINS -.IMAXS = ,IMAX);

6) AH.EP (double precision) is the area oi' t,he repository;

7) T[IM (double precision) is an array cont.aining the nloisl, ure content, in t,he matrix at, every meshpoi l" t, ;

8) THF (double precision) i'J an array conl, ainii_g t,he nloist,urc contrail i,l the fractures at, every

mesh point,;

4.7, TOSPAC FILES 28!)

9) VELM (double precision) is a_l array cont,_dning l,he a,ver_-Lg<,li,ma,r velocity of w;m!r in the Ilml,rixal, every mesh point;

10) VELF (double precision) is an _rr_:_ycont,aining the _ver'age line_:_rv,.,locity of wu.t,er iii til('.fractures sit,every mesh 1)oint;

11) RATE1 (double precision) is the a.dw'.ctive coupling coetlicicnl, al, every lnesh point;

12) RATE2 (double precisi(nl) is t,ll,_diffusive coupling coefficient, for ('a('ll (,Ol:lI,Rlllill;tlll.a,t eV(Ty lilt'sh

point;

13) RETARDM (double precision) is the rel,a.rdatio_l factor of l,]w ,,l_a.l,rixtbr (,a.c]l<:ont,alllitl_l.llt, al,every mesh point;

71.4)I:tETAI;{,DF (double precision) is the rel,m'da.l,ion la,el,or of the ['racl,llrc.s for ca.cb colll,alllillalll, a,l,

ew_ry mesh poinl,;

: 15) DISPM (double precision) is t,he dispersio1: coc.tficienl, ot" the llla,l,l'iX lbl' {:it(:tlCOIIta.lllillalll,al,every Inesh poir_l,; trod

16) DISPF (double precision) is l,he disl)ersioll coelficienl, o1' l,llc fra,cl,urcs for each corLt.arlliilatlt, al,every mesh point,.

And lillally, for every t,izne stlapshot, listed in t,h(' 'I'RANS il_l)tit--<.la.t,n.tile l,hat. was us'cd t.o solw.', tiltl_rot,le_n, subrout, ine 'I'W RITE writes it,eral, ioil, t,ilne, concelll, ru.l,ion, reh,;csc, ai_<lI)oull(lary-c¢,J_litit:)l_

WRITE(TPLTFL) IT,TIME,DT

DO 570 I=I,NUMSPC

WRITE(TPLTFL) (CONCM(J,I),CONCF(J,I),J=JMIN+I,JMAX)

WRITE(TPLTFL) RTAM(I),RTAF(I),RBAM(I),KBAF(I),

* RTCM(1),RTCF(1),RBCM(I),RBCF(1),* FLUXTM(I),FLUXTF(I),FLUXBM(I),FLUXBF(I)

570 CONTINUE

where l,t_e va,riables arc as follows:

1) IT, TIME, mid I)'F are the saJne as in l,he S'I'EAI)Y and I)YNAMI(3S l.,h:)t-dal.a files(Section 4.7.4);

2) CONCM (doubh:, precision) is t,he l,wo-ditucnsional _rray coI_t,a.i_ing the concentration in i,tlem_ttrix of ea.c}_cont, amina.nl, at, ew_ry n_esh point.;

|-_ 3) CONCF (double I)recision) is the l,wo..dimc_sional _rray cont,;dning t,h(. col_cell/,ration i_ _.lt_,

i fr a.ct,ures;

4) RTAM (double i)r(:cision) is t,he act,ual relea.sc through tile lmtl,rix ul, the lep bouudary for va(:]_com, aminant,;

i I:WAF is t,he actual release t,ho fracl, ur_s the for each(double precisioIl) l,h rollg}-i ii[, top boundary

cen t a.minanl;;

290 CIfA PTI_3tf,4, GlgNEI{.AL RrEFIgI¢IqNC'E

6) RBAM (¢louble precision) is t.he acLual release through i,he InaLrix a.l, l,he boit.oin t_ouil,,lary fl_reach cont, aminan 1,;

7) It,BAl" (double preclsioll) is the arct.ual release l,hrougtl t,he fractures al, t,he bot, t,oiil l,ouitd_J.ry li)reach contalninant;

8) I_31"CM(doulJh:: prcclMon) i,.;l,he cutJiulat.iw.', release, t.llrough file niat, rix at, the top I,_t,n,!-,r_ f,.,rca,cb conl,_tlriinan[,;

9) R,']'(:F (double l.,reclsion) is t,he cutlltila.t.;vc re.h..'a.sel,hl'otigli the t'ract,urcs a,t,t.ll<.,t,oi:Jt.)ot,!_,l:try tbre_teh contamina.nl,;

10) RB(:,M (double precision) is t.hc culrHllativc release througlt t,ll_: i_mt.rix ;t.i,t,hc I,,,l,t,,.)i_bo_j..taryfor ea.ch conl.a,nfinanl,;

11) RBC,F (double precmion) is the cumulat, iw: release through t,he t'ractures at rh,:, bol,tolil boull_taryfor each conl,anfina, nt,;

12) FLUX'fM (double precision) is l,he calcula.t,od corltatninant flux l.hrough the matrix al, l,lle 1,epboundary for each contamimmt;

ta) FLUX']'F (double precision) is l,he conl.alniilalJt flux thtougll the fractures a.l,l,tw top bouilll;tl'y

for each conl,a.,ninant;

14) FLUXBM (double precision) is the c,:Jltt.aiililmnl, flux i,hrougtt l,he n,,l, rix ;d, t.l_. bol,t.c,iit ]>oumtaryfor ca.eh c('nt,amina.nt; an(l

15) FLUXBI p (double precision) is the conl, a.i_linanl. [lux il_rougl_ t.l_: tr,_ctur,,s at til,.: ])clt, l,t,lll

bound_._ry for each con_,amin;mt.

lqxample: None.

4.7.12 OUTPLOT Plot-Definition File

Dc'faull Name: OtJ"lPPLOT. PDF (this default could change as a. 'I'OSPAC; sessi<m progresses).

Purpose: '1'he OUTPI.,O'F plol,-.definition file cont,ains the dofinil,ions ot' l,he plots for i_l'oduct,ion ofcoinputer-graphics oul, puL R:q' TOSPAC resull+s. 'Phe I)lob-dclii_it,ion file allows plot,,_ t,o b_,.rc-cfrmf e,.I. ltMso allows development, of a generic packa,ge of plot definil, ions l_hal,ca.n be used sinwly and qliickly I,oget a. set of plots for any TOSPAC result,s.

Use:: The plot-definition file is mentioned in Sections 2.8, 3.1, 3.2, a,nd 4.6.

7}/pc." liiput, i,o and OIlt, ptlt, by ()I.J'I'PLO']',

Read ,.q.'ubroulin.c: Various subrotltiims iri ()UTt"I,OT,

Create Subrout.*nc; Various subroutines in OUTPLOT.

Format: Text file.

Descriptio'n.: OUTPLOT plot-definit,ion files a.re orga.nized in three levels:

4.7. TOSPAC F,ILES 291

P LOT SECT IO N,

PLOT B[,OCK, and

DATA LIN E.

Plot, sect,ions are art n.l:W_r-:leveldivision of t_lo_,-defhlition/iles. Tt:,er_:'ar.e three types of plot..secl.ioEjs,S Ig_- 13Y, I)5.:'NAM ICS, and 'I"t{A NScorresponding :o t,he t,h'ree calculational lnodules oi' TOSPAC: ..... '-_

The GRAPHDIIV sub rout,ine reads t'he plot-defi.nition file until .it,¢o"rien t,o a sect.ion designa.t,or ,and

_,hen transfers cont.rol t,o subrouth,_e SPl, O'r,, DPI.,,OT, or TPLO'I', depending on the t,ype of sect,ion ,ertcountered. TOSPAC recognizes t,he b,;;gincang of a p'lot, section by a !line contai_m,g one of thefollowing set,s of keywords'

S'r'EA DY P I.,O'I"'SFC',TIO N, ii

DY NA ht [CS PLO T $ EC'_I'lO _"/_o r

TRANS t'LOT SECTION.

As with input,-data files, ali keywords words in plot,-definition file,s can be writ.t,en iri any combinationof upper or lower ca,_e.

Once OUTPI, OT has determined a section, i,t.looks for a I;,lot,-block desi_,nat,or. Com, tel is t,helt passedt.o one of several subs'out, ines, where the block is read and t,he appropriate plot(s) prodac,xt. A plotblock contaims ,.tetailed illsl,rt)ct.ion.s that, _pecify the desired plot (e.g,, log or linear axes, limits on theaxes, which species t.,o plot, various labels t,o u,_e, etc.).

Every t,ime a plo.t.-block designat, or appears .iraa plot,-definit.ion file, at. least one [>lot,will be made(except for the plot.-file block and *,he problem-t, it,le block). If onls, the plot-block de:signat,o.t al:q._c_ars,i.e., no data lines following it., defa,ult, rallies are _sul.t_ed for all l:mrameters.

A list. of ac,reptal_le plot, blc, cks follows. P lot.-block de.:signators are ,altown in upper case. V_,'l,.'nplot,.blo<k designators are used in a plot. tlefinition fil_,, t.hey must. I.)e used exa,ct.ly as shown (alt.h{mghthey can be in combinatiot_ of upper or lower c,a,sechara.ct,ers, and of ¢OUPSe the cololl catJ })e omit.fed).

PL()'I" F[I,E B[,()(I:K: t,o name one or more plot-dat.a, flies for a S'IEAI.)Y sect.iort, or a singleplot,-da,ta file fl)r I)YNAMICS or TRANS ,_e.ction.s;

PROE]LEM-T[TLE BI, OCK: t.ose{ a new probtem tj.tie for a plot,, if a tit, le other than th0 defaulttit.le is desired. The new tit.le remairls in effect, unt, il another l:_roblern-t.it.h, block is encoultt,ered ora new plot, section st.art,s, ,4. blank t.it.le line has the effect of reinstating i.he default titl,,,

MEStt PLOT BLOCF{.: t,o plot. mesh, and st,ra t.igraphy set.ups (appli(es to S'I'EAI)Y an,lDYN A51ICS se,¢tion_);

R\ E, PLO'F t,oCFfARA (_.["'"eI,.,R[5............i t't..,.-C.b I " ....I:3LO(...IK" plot sat.urat.ion ver,sus pret_sure head al,tdhydraulic ¢onduclivit.y versus pressure head for material(s) azsigned ll,othe problem (applies. t,o

_rT,,,,,,STEAF_)Y and DYNAMI..S s,e,ct.ions);

COblPOSI I I:,.-CONDLCI'I\, Iii. IaLOT BLOCK' t,o plot, composite hydraulic ,::on_.luctivit,yver,sus pressure head fo_'geologic uni_,(s)in theproblem (a.pl:>}ie:sIo STEADY aa_d DYNAM](:'S_,e:etion_):,

29_ (7t,tAPTER :I. GENERA L. .lfI:"t"l:J_tqN(_7I;;

COMPOSIT_!_-CAPA('I'IL,_,.NCq:2 PI,OT BI,OCK: to plot colnposit,e capacitance versus l}ressiure

head fbr geologic unit(s) in t.he problem (applies to S'['EADY and I)YNAM[CS sections);

PH. ['_SSU.R.t:_-ttEAD ]_"I,OT BLOCK: to plot pressure brad versus elevat, io,_L(applies i.o S']"I:;'A[)Yand 13YNAM ICS sv.etions);

S '_'[ t.lRATION P LOT t_]LOCK: to plot, :saturation versus elevation (apl}li,,_sto STEADY alldI'..}YN AM.1CS sec t,ions),

VEI,OC, ITY ,PLOT BI,OC, K: t,o plot water veloc_,,y versus elevatior_ (applies t,o S'I'EAi)Y,DYNAM[(',S, a,r,l TRANS sec_Aons);

VI.,{iX PLOT BIA)(.IK: to plot watel flux versu,_ elevation (al,pl,i_s :to ST'E:AI)'_' a,:ldDYN A M ICS ,section,s):

N()lt M AI,IZt';[)- t"LU X I}I,OT t#1,O(7;I(: to plot norniMized coiliposit.e flux w:,rsus elevatioli.(applies to S'I'I.:]AD.Y alld DYN AM[(]S b;ectiotls);

('()NI)I.I('TIVITY PLOT 13bOC'.Id:to plot hydraulic condi,lCl.ivit.yversus eleva{,il)ii, (at}plies t{)STI!TA[)Y aiM DY NA M IC',S_mctions);

(PAI>ACI'I\ANC't:2 P[,OT BLOCI_.'. it.} plot capacilarlce ver,'s'us elevation (alipliets l.o fg'l'l-';Al)_l' aild[YfNAMI(?S sect.iolls) ;

Tt{A\_'I:2I.,-TIMtO PI,O'I' BI.,OCK: t,o plot. water travel times between t.v,'ospecified t,oints (al;t,liosto S']"I!]AI)Y seciiolis Olliy);

AV I_;RAGb>SA'I'U RAT'ION PLOT ]!![,O{.'t'(: t.o i:,lot saturMiOll 'versur_ tiilie (appli{_s t,::,DYNAMICS sectioris oil[y)c

WAT ER.-MAS,{'7Pf.,OT BLOC.I'(: to plot. lll&.S,Sviii'si,istittle (applies to DY NAM ICS s{>,ct.ic:.,llSollly);

MOIS'l"t;ttlii2 PL()T BI, OCt(: to f)lof lrioist.i,lre colltellt, VerStlbelevat.ioli (applies, to 'I'IIANSsect,ions oiily);

Itlq'I"Aft.I)A'I'ION PL.O'I.' 13LO('I(: to plot, rei,ardM.ion facl,.orsversus elevation (apl}li{'s tc.>'I"fatA N,.q.secti()ns Olliy );

I)ISPI'glI.SION PL,OT BIX)(;;I_.: t,{:,I}lot, disper.siori coefticie,nt;s verst`Iselevatioli (aPi>lies t,oTRANS s{,('l{ioiis Olily);

CO UPLING PLOT BI,()CK: to plot niat.rix/t'racture couplillg verst,iselevati()ii (at:plies i;}'I"RANS sectioris only)',

CVST PI, OT Bt,()CK: to plot con,"eritration ,,'{,l'Stlst.ilile (applies t.o TR.ANS s_,c.tions only);

(TVSE P LOT t.:1LOCK: to plot. conceiit ration versus ,levatioii (applies t.o TRA NS sectiolls ,}iily);

3-D PIX)'I' BLOCK: t/,}plot. coricentration versilS t.inie itii.d eievatioli (al:}t_liestc, TRANS sect.ioimolliy); aiid "'

IIEI, I:!;ASE PLOT B[,O(;;I(: t,o plot relea,se versl.lS t.il/le (appli,_s to TRANS sectiorls orlly),

Data lines are tiiles of data within a plot-.data t.}l:_ck. [}ata lines have the tY}llowirigff.irllial:

1.) zero or iriore spaces or t.abs,

4.7. TOSPAC bTLES 2_.13

2) a dat.a-line keyword (see below),

3) _ ,delirp,it.er,

4) one or more argutnent,s (dependir|g on the keyword, discussed below) ea,:tt st.paratt.d by adelitniter,

,r._)and, optionally, at|ot,/tei deli,,Itet.cr followed by a collln|e_|t, string.

Acceptable delinfiters +,_,respaces, t.abs, or conill|a+ts.

'['he lbl;owing is a <lescript.ion of the data-.lil|e kvywor,ts rise,lt withill t.!l_,I>locks. V'/ll¢,tlk,,ywords ;.u'<,used, t,hey must, be Sl:,clh,d exa.ct.ly as presented (alt.hcmgh, ally coll|t,inatiotl of upl,er azld lower ca.se isacceptabh_, and the colon must, not be present.). Not _.tllk_.ywords at<, valid in c.very plot block

XI, IMITS: set.s limits oil X-axis: should be ['ullowed I,y two nutltb_rs, til,.' llJiniIllUltl _uldnlaximum. If the word DEFAt_I.,'I" is used ill t_lace of one of til<' I_l|Jl|l,t"rs, that. Ilu'ans Io auloscale(i.e., use the ntinimum or tnaxil|mln of t.l_e plotled &._t.a). in til,+ l,lot I:,locks, th_+X.._._.xis_lwaysrefers to t.he ,+++d,,"l>endc+.+.!vaz'zadJh......either elevation, t,itlte, or pt'essut'v }tca<l, depetJdiI+g ot_ litr,plot, type.

YIAMITS: saltle as XLIMITS, but for Y-_:txis.

ZLIMI'I'S: satne a,s X_,IMITS, hilt. l"or g axis;.

XAXIS: sets type of axis. Should be t_:>llow,..dby I,IN or LI.NI:{:AI_tbr' a li:,t.ar X-axis, i,()(; ofLO(_AI:t[TIIMI(?. for a log X-axis, NE(I;L()(; fo_;a log plot of twg;.ttjv<,data.

L_'AXIS: s+:tll:le a,s XAXIS, but for Y-.axis.

XUNITS: sets the units o+i t+l+eX-axis; could 1>_,u,_;_edii' ,S'/ ul+its arc i_ut.used ft+r lh_, itti>t_t data.[eor exatnple, ii' data are ent+__redilt t't-ll,-s unit.s, to get ali elevaxt+iolJaxis [al,elc'd iii ft ill:_tea_l _>t't.h,.+default n_, 'use X UN.17',G'ft.

YUNITS: same as X(iNITS, but+ f'or Y..axi..,s.

ZUNI'II'S: same as XUNITS, but for Z axis.

XFA(.':']"OI:t: set,:s conversion factor for X-axis; could b_+us_,d iF it were dc._ir,,d t,) ph>t ,.tat_t usit_gdifferent, unit,s t.ha|| the iltput units. For e.'ct_!!q+le,if _nks units w_'r_+used for il_t,ut, t_ttt,eh,v;_tiot|s

in ctll were desired ol_ a plot., the f'ollowi_+g,:or,tit+lands woul<t t:_+givc+_: .\'l:.'_'l_l'.s' cre, .¥t+'A('7'OIglO0. Not.e t.hat, t.his procedure is not necessary for tittw axes if a tittw-cot|versiott was sl,,:.',+'ifiv'dit_tile input file. 'I'l_at is, if Xtlks ultit:s are used for Grit+ttr,but a til|l,.-,+on_vc.esior_factor is st,{,cified sothat. sna+Jshot tit__es art:+entered it; years, t.he._lt.h<,default for tin,t. _._xeswill .b<._ y<'ar's. 't*ll,,ll. itwouht be necessary t,;) sp,ecif:¢ XI,_NI'.[+'Sand XVAC'I'()i:_.;if' units ult_,r t.ltatt yoars wt,re <lesir,.d.

YFA(:TOI:{.: same ;:tsXFACTOR, but. for Y-axis.

ZFA(_'I'()R.: sanle as XFA(YI'OR, but. h>r Z axis.

LEGEND: sets position of legend in t.wo-dimensional plot.. Folt:::,wtd by: N()Nt'I' ;'_:,r_l<::,h:+g,:'_ld;OUT or Ot.ITS1DE to put, the leget:_dto the rigltt, of the plot (only valid i_ ,l_l_dscat,vorient.at, ion); or two nu_nbers, giving the X altd "i' coordinates of the bott,::,tl_left c<¢lwr of Ill<.legend, in centimet,ers. X entry _nay also t,e I.A'¢FT, (.,['.2N'I'f!_t_,or It+IGl['l.': Y entry r'l,ay alst, t:_t+TOP, CENTER, or BOT'TOM.

294 C,'ffAPII'EI_ 4. (.;ENEtL4L tt.b!FI,:t_,ENCE

LABEL: specify a legend entry. WIDatever follows is used in the h-'gend, if one is specified, l,abelscan only be entered after SN APS|I(IT, ELI!;\:A'['ION, or FI[.E comtHands.

ORIENT or OPalENTATION: sets plot orientation; followed by I,A N.I)S(..'APt'_ (longer ,]irect,ionhorizontal) or POIITRAIT (longer direction vert,ical). Plot orient, atioi_, can only be spc,citi_'dwhen some quantity is being plotted against, elevation,

MODE: sets plot.t,ing mode. Followed by MULTI or MI.II,'I'[t"I,15;ii' several cllrw_s (could I:,¢,several species or several snal:>shots or several different sri'gA I)Y runs, tlel,_ading on the tb't_eofplot) are to be drawn on the same plot; SINGLE for the opposit.e ....one sp,,cies or one s_ml,,sllot orone S'rEAI)Y run per plot.

PLOTT'fI._E: chooses anlong differs,ht qumltit.ies that can be plot,ted. The choices t.hat call followPI, O'I.'TYP.E depend on the type of plot. '['he following appear in various places: MA'II?f:I.IXtoplot matrix quantities, I_'R,ACTUI_.E to plot fracture quantitie:_, COM POSI'I"E l.o plot comp, .,lt.__.tualLtit,ies, A1D\:E(;'TIVI_; to plot advective coupling rates, DISPE[tSI\:E to plot dispersiw.,coupling rates, ACTUAl, to plot the a_nount, of comam.inant actually outside the computationalmesh in a release plot, CUMI.JLATIVE to plot t.he sum of the amounts crossing the boundary ofthe computational mesh in _ release plot,, III,AT|';to plot the rate at whicll waste reaches t,lwboundary in a release plot. ALL (and in sollie cases BOT[t is used to plot ali quantities (e.g.,MATRIX and FRACTUIIE, if those are the possibilities for a particular type of plot).

FII, E' specifies which. STEA I)Y file to plot.. Followed by a number i&nti Tying the tile. li'orexalnple, if the plot-file block lists the files FILEI.DAT, I_'ILE2.I)A'[ ', all,_ t,'ILE::I.I)A'r, in t,l_atorder, then FIL.b.: 2 wouht specify that plot. data be taken from ["ILE2.DAT. ALL can be writt.¢'ninstead of a number, to specify th.at ali listed files sllouhl be used.

SNAPSIIOT: specifies a snapshot t.o be plott,ed. Followed by the snapshot nl.lmber. ALL can bewritten instead of a number, Lo specify that ali snapshot,_ shouht be plot,ted.

SPEC[ES: specifies a species to be plotted. Can be followed by either the species name (e.g.,SPECIE,S' U-236) or the species nmnber (e.g., SPECIE,5 _ 3). ALL can also be used, to specifythat ali species should be plotted.

PI, EV or ELE\:ArI'ION: specifies an elevation at, which t,o plot concent;ration versus time.Followed by the elevation, in whatever units were used when specifying the calculational niosh.There are two special designations: SOI.Jt_.CE to plot. concentrat, ion ai, a I,oint in the middh, ofthe source region, hlAX or hlAXI ht LIM to plot the maximum concent, ration in (he ('ntire t_lesh a,sa function of time.

BOUNDAItY: for a release plot, specifies at. which bou_dary rele_Lsesare t.o be plotted. _'ollow(.'dby TOP t,o plot release.s Ii'ore tol:) boundary, BOTTOM to plot, releases from }mtr.ore boumtary,BOTt] or ALI,, t,o plot the sum of the release.s from both boundarie, s.

REI,EASE: for a release plot,, specifies the type of release .......MASS t,o plot release in t,emis ofmass, RADIOACTIVITY or RAD to plot release in ternts of radioactivity, EPA RATIO or li;PAto plot relea,se in terms of EPA ratio.

VIEW: for a three-dimensional plot,, specifies the viewpoint. Followed by three numbers: thepolar coordinat,es of t,he viewpoint-.dist, ance (in centimet, ers), polar angle, and azimuthal, angle.tf l,he word DEFAU LI' is used in place of one of t,he numbers, that means to use the default valuefor that number. The default,s are 12,5,75,340.

NUMX' for a three-dimensional plot,, specifies the approximate number of time lines to draw,I_o}.lm_edby a number or the word ALL or the word DEFAUL, T. I)}:,IaAUL'IFis equivalent to ALL..

4.7. TOSPAC FILES 295

NUMY: forathree-dimerMonalplot, specifies the approximalenumberofeh.watiotl lines todraw. Followed by a .number or the word ALI, or the word I)EFAU LT. I)EFAU g.P is equiwdentto t,he number 100.

BOX: for a mesh/stratigraphy plot, specifies t,he nundmr of nlesh l_oints included in a "box" inthe mesh-point column. Followed by a nund:.,er or the word I) I_;[eAUL'I', I)EFAUH" is variable,depending on the total number of nlesh points.

NUMBER: for a mesh/stratigraphy plot, specifies the size of tlm ixtcretllellt between t,he numericmesh-point indicators in the mesh-point column. Followed by a. nulnber or the word I)EFAI.JI:I'.DEFAULT is variable, depending on the total number of mesll poiltts.

MA'['ERIAL: specifies the material tbr which a characteristic-curve plot is to be nlade. (i_,arlbefollowed by either the nmt.erial name (e.g., MA T'E.I?..IAL ,':';AND,f;TONE) or the iIlat',_rial zmlnber(e.g., MATERIA I., I). ALL or DEFAULT can also be used, to specify that ali materials slamldbe plotted.

UNIT: tbr a plot of colnposite hydraulic collductivit,y or colnposite capacitance, specifies tlmgeologic unit for which these variables are to be plotted. Can I)e followed by either thegeolorjc-unit llaJl]e (e.g., I/N.IT 7;9w2) or the geologic-unit nulllber (e.g., UNI'I'/31). ALI, orDEFA:!LT can also be used, to specify that the conductivity and capacitar_ce curves for ali unitsshould i,e plotted,

Arguments for the above keywords axeoftwo tyl_eS: mu_cric and character. Nul_eric argtlmeltt,sarenumbers (integer or real) in any FOt_TRAN-recognizable format. (:tlaracter argunlents ;tre titlts,names, units, labels, names of files, and special words, stlch ats ALI,, I)EFAUL'I, NONE, etc. (:haracter

arguments are arbitrary strings of characters up to 80 characters long which do not inclll(h' delinliters.If the character da,ta begirls with a space or tab, this character is stripped off b,'t'ore 'I'OSPAC, uses thedata. The vertical-.bar character (I) is a special cba.ratter in titles alld haines: it, can be insertedwithin the titles and nan',es to force O(iTPI, O'I." to make a line break a,t that position when co_nput,ergraphics are produced. The vertical bar is removed when the, character sl.riilg is used.

When OUTPI,OT creates a plot-definition file, OUTI'I.,OT includes coznntents t,ltat describe tire

various data elements. Unlike an input-data file,, the I_lot-detinition lile does riot aCCCl_tu_fits after da.tavalues: unless they occur in the comment sect,iol_ of a data line, or ur,less the (latu_ll t,xpressly calls forunits.

lt is acceptable ['or the user to circumvent OUTPI, OT an,,t create or inodify plot-detinition files withhis or her computer system's text editor. The user ca.n theli create or modify plot-delhlition fileswithout the comments, or with the user's own colnments. Althougt_ the data can be entered allnr.,st infree format, four rules must be followed:

1) at lea,st one section designator (see above) nmst be present;

2) at lcr.mt,one plot-block designator (see above) must be present;

3) each plot, block can contain zero or more data, lines; and

4) a dat,a li;,c can contain at n'mst one keyword, followed by the appropriate nund._er of arguments(with delimiters), followed by a comment if desired.

29(i CttAPTER, ,1. GI'_NERA L H,I;HH_I_.I'_N('E

A block terminator (a blank line) musl follow each plot block.

Figure ,t.31 shows ali example of l,he OI.JTPI.,OT l)lot-delinition file used in (_hat)ter 2 iii a_miniulizedform, created on ¢:ttext editor. Corot)are 1.histigure with l;'igure 2.12,

I_'xam.ple: Figures 2.12, 3.116, 3.46, and ,t.i{1.

4.7.13 OUTPLOT Graphics-Driver File

DeJ'a,tll Nam.e: OUTPLOT.DI/,V (this det'ault could ch_mge ;ts a '['OSPA('. session t)rogresscs).

Purpose: '-l'he OUTI'LO'r gra.phics-driwer file cont,a.ins internlediate-stag(' (,ollq:_uter graphicsinl'orm_t, ion in uiiform_tt, ted (binttry) form, created by the DISSI_LA graphics pack(tge. '.l'ltis lilt IllUStbe submitted to a. graphics device ibr hardcot)y (or tillll or tiche) oul.put of'I'OSPAC plot,s.

Use: The gra.phics-driw'.r tilt is cre_t,ed when choice 4 fronl the OU'I.'P[,O'I' main menu is selected, asdiscussed in Section 4.6.

7;ypc: Outl)ut from OU"['PI,O'I?.

l{ca.d ,%broul_nc: None.

Create Subro'tLliT_.c:Various subroutines in OUTI)I, OT.

l"o'r'_lzat: l:lin,-'tryfile.

DescriplioT_.: '['he graphics-driver file varies in fornm.t and contents fI'oIll one graphics device t,ottnol,her, li. should not I_: inspected or modified by the user.

E.r,am.ple: North.

, _ , , '297,1,7. FOSf AC FILES

steady plot section

mesh plot blockxaxis ]inx].imits default,defaultbox defaultnumber default

velocity plot blockplottv_e matrixmode slngleorient portraitxaxis lin

vaxis neglogxlimits default default

limits default defaultegend none

trans plot section

release plot blockp]otty_e bothmode slnglerelease mass

boundary bottomxaxis fin

yaxis logxlimits default,default

ylimits default,defaultspecies alllegend default

3-d plot blockplottype matrixview default,default,defaultxlimits default,default

ylimits default,defaultzlimits default,default

species allnumy defaultnumx default

cvse plot blockplottype matrixmode multi

orient _ortraitxax1 s Ii[i

yaxis finxlimits default,default

ylimits default,defaultspecies allsnapshot 1snapshot 2snapshot 4snapshot 7snapshot 12snapshot 17snapshot 18snapshot 20snapshot 23snapshot 28snapshot; 33legend right,bottom

Figure 4.31' OUTPLO'[' plot,-definil, ion file created by a text, edit.or, cotlt,aining the salne cla,i;t as theplot,-definit.ion file shown in Figure 2.12.

298 CHAPTER 4. GEN.bJI{AL REFERENCE

REFERENCES

Barn_mI, R.W., and H.A. Dockery, eds., 7i:chltical 5'ummary of the l_crformancc A,s_csa'mcl_tCalculation.al £'xerczscs for 1990 (PACI_;'-90), Vol. 1: 'Nominal 6'ol_figuration' tlydrogeologicParameters and CMculalional Results, SAN1)90-2726, Sandia Natio,laI lm.boratori('s, Albuqu(,r(tue,New Mexico, 1991. (NNA.910523.0001)

C,omputer Associates ll;ternational (CAI), Inc,, CA-DI,%'PLA Uscv MaT_ual, Release I1.0, Gm'denCity, New York, 1989, (NNA.901128,0164)

Daniels, W,I{., K, Woli'sburg, I(.S. l{undberg, A.g, ()gar(t, 3.F. Kerrisk, C,.,I. Duit'y, T.W. Newton, ,I.L.

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Dudley, A.L., R.R. Peters, J.l-l. C-_authier, M.L. Wilson, M.S. Tierney, and F.A. Klavetter, 7)_tal,b_ystem.Performance Assessment Code (7'OSPA@ Volume i: Physical aud Mathe'matical Bases,SAND85-0002, Sandia National Laboratories, Albnquerque, New Mexico, 1988. (NNA.881202.()211)

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Fewell, M.E., S.R. Sobolik, and J.H, Gauthier, Estim.atioTt of the Limitations for Sur]total WaterAddition Above a Potential High Level Radioactive Waste Reposito W at Yucca Mountai_t, Nevada,SAN1)91-0790, Sandia National Laboratories, Albuquerque, New Mexico, 1992. (NNA.911217.0002)

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(NNA. 870406.0444)

Gauthier, J.H., N.B. Zieman, and W.B. Miller, TOSPAC Calculatioas in ,5'upport of the COVE 2./tBenchmarking Activity, SAND88-2730, Sandia National Laboratories, Albuquerque, New Mexico, 1991.

(NNA.910821.00311)

Klavetter, E.A., and R.R. Peters, Fluid Flow in a Fractured Rock Mass, SAND85-0855, SandiaNational Laboratories, Albuquerque, New Mexico, 1986. (NNA.87072[.0004)

Klavetter, E.A., and R.R. Peters, .Au Evaluation of the Use' of Mercury Porosimetry i'n Calculati_tgHydrologic Properties of Tufts from Yucca Mountain, Nevada, SAND86-0286, Sandia NationalLaboratories, Albuquerque, New Mexico, 1987. (NNA.890327.0056)

lX,4u_leln,Y., A new model tbr predicting t,he hydramlic conducLivit, y of' Ul_Sa/,urated porous trlal,cri;ds,

Waler t_esour, t{es., I,_(3):513-522, 1976. (NNA.890522.0250)

()rl, iz, T.S., R.L. Willialns, F.B. Nilllick, B.C. Whit, t,el., and I).L. Soul, h, A 7"hree-l)imen,sional Model of

t?,efer'cnce Th.ernzal/Mc:chanieal and llydrological ,S'lratigraphy at Yucca Mountain, Souti_e'rn Nevada,SAND84-1076, Sandier N'tt, iont.d L_d)ora,l,ories, Albuquerque, New Mexico, 1985. (NN.A.8!I0'315.0013)

Pel,ers, R.R., Modeling Nile-Scale Water Movement *na l:ractured, Poro't,s Medium, SAN1)85-2448C,,Unsal, ural,ed F{_ock/Col,l,antiant, Transport, Workshop l Il, Universit, y of Arizom_, Tucson, Arizona,, !986.(N NA .900403.0012)

Peters, R.R., J.H. (.4authier, and A.L. Dudley, 7'he £JJ'ect of t:_crcolalion t_ate on Water-7'ravcl Time inDeep, Partially ,5'at'uralcd Zones, SANI)85-0854, Sandia Na.l,ion_d Lal)oratories, Albuquerque, NewMexico, 1986. (NNA.870721.0006)

t'elers, R.R., E.A. Klaw.;t,ter, J.T, George, and J.II, Gaul.bier, Mca.suring and nlodeling w_terill).bil)il,ion inl,o tuff', ii] li'low and Tran.,sporl 'l_hrough Unsaturated t,'racluz'ed Media, ((_eophysical

rvlonogr;q:_h 42, eds. D.I). Evans and T.,I. N icholson, Alneric_-_llGeophysical Union, Washillgl,on DC,1987. (NNA.900404.01,11)

Pet,ers, R.I{.., and E.A. Klavet, t,er, A conl, inuurn znodel t'or water movcmenI, in art unsat, ura.ted t'r_e.turcdrock mass, Wa:er Re,sour. Res., '24(3):416.-430, 1988. (NNA.870323.0453)

Peters, ILl{.., _.¢{.,Hydrologic 7'ech.nical Corresponde'l_ce in ,Support of the Site Ch.araeterizatio'l_. Plan,SAN i)88-2784, _';analia INat.iomd l,abor_:_t,ories, AI buque.'.rque, New M{_xico; 1988. (N NA. 881202.0204)

Prindle, R.W., ,5'pecificalion of a 7'esi Problem for ttYDROCOIN Lca:l 3 (',ase :2: Sensili_Jily Anal!/si,s./'or"Deep Disposal in t_arlially 5'aturatcd, t"raetured 7'u.tf, SAND86-1264, S_mdia Nal, ional Laboratories,Albuquerque, New Mexico, 1987. (NNA.870825.0025)

'TFr_vis,B.,I., S.W. Hodson, l f.E. Nutl, al, T.L. Cook, and R,S. Rundberg, Prelinlinary estiJnates ofwater flow and radionuclide I.ransport, in Yucca Mounl, ain, Mat. Res. Soc. Syrup. Proc., 36:10a9-1047,

1984. (t-IQS.880517.1909)

wm (4enuchten, M.Th., A closed-form equal, ion for predicting I,he hydraulic conducl_ivil,y of

uns_tturated soils, Soil Sci. b'oc. Am. J., 44:892-898, 1980. (NNA.8!I0522.0287)

Weasl;, R.C., cd., (.:RC Handbook of Chemistry and Physics, CRC t_ress, Inc., Boca, l{at,o_, Florida,

1990-91. (NNA.901127.0187)

Wilson, M.L., d Simplified Radionuclide Source Term for Total-Sy,stem Perform.anee Assessment,

SAND91-0155, Sandia Nal,ional Laboratories, Albuquerque, New Mexico, 1991. (NNA.911118.0079)

Wilson, M.L., F.C, L_.mffer, J.C. Curnmings, and N.B. Zieman, Tot, al-System Analyzer for performa.nceasse.ssmenl, of Yucca Mountain, it] lli:th. Level Radioactive Wasle Management: .Proeeediws of t.h.eSecond Annual lnl.ernaiional Conference, American Nuclea.r Society, Inc., La. Grange, Illinois, _mdAmc.rican Sociel, y of Civil Engineers, New York, Vol. '2, pp. 1734.-1743, 1991. (NNA.920427.0051)

Wilson, M.L., Compa.rison of t,wo conceptual models of flow using l,t_eTSA, in fli.qh Level gadwactiveWaste Mana.qement: Proceedings of the 199_ International Conference. American Nuclear Society,

Inc., La Gr_mge, Illinois, and American Socie/,y of C,ivil Engineers, New York, Vol. 1, pp. 882--890,1992. (NNA.920505.(X)61)

Appendix A

BATCH EXECUTION

TOSPAC c_-mbe executed in the batch mode ozl inost colnpul,er systenls. '.l'hcuser is required to createa command file (also known its a procedure file) tlla.t tells the conlputer sysl.clll the informaticm iineeds during 'I'OSPAC execution. This information is the s,mm as t,lle il,[brlllal, ion needed duringTOSPAC execution in the int,cractiw_ triode. 'l'he conllnand file is then subrllitl.ed to the colnput.er's

b at,ch-j o b queu e,

13atch execution of TeSI'AC lnodules STEADY, I)YNAMI(:S, and 'I'RANS c_ta be helpful. 'l'ties,:ca,lcul_tional lnoduh.'.s c_n Lake _.,long time to run- especially I)YNAMI(:S-- _-_lJdthey require lit,tieuser int,er_._ction. The data--ent, ry modules, IN DATA ,rod OUTPI, O'[', typically require a grc,tt deal ofuser int, er;._ction, and therefore would require colllplex con_mand lih,s fbr b_l,c]l execul, ioll. Conlzllnndflies for INDATA or OUTPLO'I" data entry cotlld Lake longer to create than the alnoutll, of Cim,: tleededfor an interactive session. The ou'rPI,OT graphics-driw'r subtnodule, however, cazl be ruz_ in bal,dimode if a pre-existing plot-definition file is used.

'l'he retnainder of this appendix gives listings of comnu:md tiles that can bc used to run 'I"OSPA(', onthe {,hre(: extmtple problenls contained in this User's (;uide. These conHnt-md files a.re created forexecution on a DEC VAX con,put, er system using the VAX/VMS operating syst.enl (1)EC, 1988). Thefiles wouhl have to be modified for execution o,_ el,her corllpuLer sysl,ellJs. Ii, is a.SSUlll('dl.]lat the inputflies have been created and are n_med as follows:

r- _ -, __S I LA[ Y.DA'F the STEADY input-data file for t,he simplified mill-tailings prol)lenl fromChapter 2, shown in Figure 2.3;

TRANS.I)AT: the 'FRANS input-data file for the silnplified nfill-tailings t_robhml fl'ol_ (i.:l_al:,ter2,

show__ in Figure 2A;

OUTPLOT.I-_DF: the () U'I'I:_LOT plot,-definitio_ file for t,he si_nplitied rnill-t, aiii_gs prolflem fro_

Chapter 2, shown in Figure 2.1 '_'

DYNAMICS.DA'[': the DYNAMICS input-data file for the si_nulation of the laboratory

imbibition experiment from Section 3.1, shown in Figure 3.2;

EX2OUTPLOT,PDF: the OUTPL(IT t.,lc_t-definition ftle for the si_uulation of the labor_ttoryimbibition experiment from Section 3.1,shown in Figure 3.1.6',

302 A.PI-_I,_'NDIX A, BAT(31 I_'Xt,;(_,U'I'ION

EX3STIe;ADY.I)A'[': l,lm s'r!!;ADY input,-(lat, a file for t,he sinmtation of a

high-level-radioactiw:'.-wast, e reposit, ory irl t,uff ['roln Sect, icul 3.2, shown ill ["igure 3.20; and

EX3TIt,ANS,DAT: the 'I'RANS inpul,-d_-_t,a file for the siznulation of a higl>level-radioactive-wasl, e

reposit, ory in t,uff froln Sect, ion 3.2, shown in lqgure 3.21.

Ii;X3OUTPI,O'I_.PDI": the OU'I'PI_OT plot.-definit, ion file for t,he silnula.t, ion of al_igh-lew_l-ra.dioact, ive-waste reposil, ory in l,ul[' from Section 3,2, shown in l"igure 3.46.

Noi,e l,hat J_mnes for the output, files can be given in the commalld procedure if the inl)Ut-cla.t,a til_, Ilasno file block. However, ali I,l_ree exa.ml._les showll here assume l,hat, t,he inl)Ut,-d_tta file ('ont, ains a. lile

block wit, h the appropriat, e tile names. In the first, exalnple, tile l)lot,-.dat, a. file names are ellI,erc(l in the

OU'I'PI,()'I' part, of the comnmnd procedure because l,he plol,-detinil, ioll file in Figure 2.12 does m:,l,have _ plot,-file block.

The com.nland file for t,he sinq_litied mill-l,ailillgs t)roblem fronl (Jhapter 2 ff)llows, The conllllel_t,s are

marked wit, h a.n excla.lnal;ioxl point, ([). Colnnlent, s a.re opt, ional, The exclmlm.t, ion poitLt, is required by

VAX VMS _s a. conHlient, delilnit, er; ii, is Ilot required on the lines I;hal, are read by 'I?()SPAC,.

! A command file to execute the simplified mill-tailings problem.

! (Everything on a line after an exclamation point is a conuuent.)

$ RUN TOSPAC ! execute TOSPAC

2 ! choice 2 from the TOSPAC main menu -- execute STEADY

STEADY.DAT ! the name of the STEADY input-data file4 ! chcice 4 from the TOSPAC main menu -- execute TRANS

TRANS.DAT ! the name of the TRANS input-data file5 ! choice 5 from the TOSPAC main menu -- execute OUTPLOT

OUTPLOT.PDF ! the name of the OUTPLOT plot-definition file

4 ! choice 4 from the OUTPLOT main menu -- create plots

OUTPLOT,DRV ! the name of the OUTPLOT graphics-driver file

STEADY.PLT ' the name of the STEADY plot-data file

NONE ! there is only one STEADY plot-data file

TRANS.PLT ! the name of the TRANS plot-data file0 ! choice 0 from the OUTPLOT main menu -- return to main menu

0 ! choice 0 from the TOSPAC main menu -- STOP

$ IMPRINT/IMPRFSS 0UTPLOT.DRV ! submit the graphics file to the printer

?Oil a DL(., VAX c.onlputer syst, em, a command file is subwliit, t,ed Lo the bal.cb job quette using t,heSU I3MIT command. Vor exanq_le, if t,he ('onlnmnd file were named EXI.(.',OM, a sub_nit comn_at_dcould be a,s follows:

$ ,9UBMI 7'/NOPRINT EXI. COM

where tile NOPI{INT qualifies specifies t,hatt, he log file should be placed in the user's file space andnot, printed. After t.he batch .job is completed, the out,put flies will reside in l,he user's file space.

The la.sf command in t,lw comma.hd file .... the one t,o submit t,he graphics-driver file to l,he print.er--may

w_ry from inst.allation to inst, allation. With the above com,nand file, the problem could be submit;ted

to run overnight and t,he plots would be wait, ing _x the morning.

The command file tbr tile laboratory ilnbibi(,io)l experiment l>roblenl t'roIll Sl:,c(,ioll 3,1 is as tbllows:

! A command file to execute the simulation of the laboratory

! imbibition experiment_l

$ RUN TOSPAC ! execute TOSPAC

3 ! choice 3 from the TOSPAC main menu ---execute DYNAMICS

DYNAMICS.DAT ! the name of the DYNAMICS input-data file5 ! choice 5 from the TOSPAC main menu -- execute OUTPLOT

EX2OUTPLOT.PDF ! the name of the OUTPLOT plot-definition file

EX2OUTPLOT.DRV ! the name of the OUTPLOT graphics-driver file0 ! choice 0 from the OUTPLOT main menu -- return to main menu

$ IMPRINT/IMPRESS EX2OUTPLOT.DRV ! submit the graphics file to the printer

".['he command tile for the pot, ent, ial waste repository problem t'rom Sectio)l 3,2 is as f'ollows:

! A command file to execute the simulation of a potential

! waste repository in stratified tuff.!

$ RUN TOSPAC , execute TOSPAC

2 i choice 2 from the TOSPAC main menu -- execute STEADY

EXaSTEADY,DAT ! the name of the STEADY input-data file4 ! choice 4 from the TOSPAC main menu -- execute TRANS

EX3ThANS.DAT ! the name of the TRANS input-data file5 ! choice 5 from the TOSPAC main menu -,-execute OUTPLOT

EX3OUTPLOT.PDF ! the nmue of the OUTPLOT plot-definition file

EX3OUTPLOT.DRV ! the name of the OUTPLDT graphics-driver file0 i choice 0 from the OUTPLOT main menu -- return to main menu

$ IMPRINT/IMPRESS EX3OUTPLOT.DRV ! submit the graphics file to the printer

_-1 _ -I y r" "1 • '30-'1 A PI_I_N.I)L\" A, BATCH l_X.l'_(,U 110N

Appendix B

DATA RELEVANT TO THEREFERENCE INFORMATIONBASE

•Y3,1 h:dbrmati(_u from tile Reference Infbrmati()n Base Used in this Report:

This report, contains no inf'orllla_.ion fr(,_m the Refcrer, ce |nformat.iozl Bas('.

B,2 Candidate Information for the R.efer,:mce Infl)rmation Bas_;:

Tt,i,- report contains _o calldidat,e iltformat.ion for t,he Reference lnformat, ion Base.

B,3 Candidate Information fbr tlm $it.¢:,.and Enginr, eri.ng Properties Data Base:

This report, contains lao caH,.tidat,e itaforniat,ion for the ,_Sitem_d Ertgitieeritlg Properties Data Ba,se,

306 A I_PENDIX t:3, I)A 7?i I_.,._.,_.E_,:4_, 1 TO 7'.tte RE.I' Eli l:,N(..,.E INFOR, MA TION RA S'E

Appendix C

REQUIREMENTS FORSOFTWARE DOCUMENTATION

At tile time this User's Guide is written., acceptable software documentatiorL to meet. anticipated

quality-assurance requirements must include the following (Sandia National Laboratories, YuccaMountain Site Characterization Project, Quality Assurance Implementing Procedure QAIP 3-2,Rev. 01, 17 October 1991):

software requirements specification,

software design documentation,

description of mathemat, ical models and numerical methods used,

user's manual,

program listing,

verification and validation documentation, and

program modification and change records.

The requirements that TOSPAC was designed t,o meet, and the top..ievel..design decisions to addressthose requirement.s, a.re given in Chapter 1 of this User's Guide. TOSPAC was intended t.o be ananalysis tool, and analysis software is unlike industrial software--spreadsheet, payroll, inventory,machine operation, etc. In industrial software, the tasks are well-defined and the algorithms forperforming the tasks are known. TOSPAC was intended to investigate a physical regime that, is notcompletely understood. As TOSPAC was being developed, the calculational difficulti,:s _ssociated with

the physical regime were unknown. Therefore, design decisions and requirement.s evolved together.

Requirements consist of defining the function and scope of a computer program, as well a,senvironmental concerns, such as how users will operate the program and on what contput,er systems it,will execute. Section 1.3, Background, contains a discussion of the performance requirements and theperformance attributes, including portability, calculational speed and correctness, and the fa.ciiity of

-|_.| 307

308 A t PENDIX C. IgEQUIt_,EMEN'I'S FOR, S0t"'TWAI:,,E DOC (.,ME_ _lA I ION

use and t,he rest)ol_se tinle of the user interfa(:e. Section 1._5,Capabilities, and Sectiorl 1.ft, Lilnitationsand Assmnptions, contaii1 discussions of the ['unctional requiremeilt.s.

Top-level design consists of decisions that restrict how a conqmter progrmn ineel, s the require_lents.For TOSPAC, top-level-design decisions include the use of modules, including the three basiccalculational modules; the implementation of 1)arcy's Law, t{ichards' Equation, and the generaladvection-dispersion equation; and the restriction to one dimension. Section 1.3, Background, containsa discussion of the decision to use a high-level comput.er language, Section 1.4, Techni(:al Ow_rview,contains a discussion of the major l:)hysical and mathematical models used in TOSPAC and how theprogram structure follows these choices. Various simplifications in the lnodels used in TOSt'AC arediscussed in Section 1.5, Capabilities, and Se(:tion 1.6, Linfit.ations and Assulnptions.

This User's Guide was written in parallel with the developlllent of 'I'OSPA(',. (,haptei 4 of this User'sGuide, General l_.efere||ce, represents the user-iilt, erface design specification for 'I'OSPAC V_:'rsi(m 1.That is, TOSPA(: Version 1 shall operate a.s described in Chapt.er 4.

Both the mathematical models and the nlmlerical methods used in 'I'OSI'AC Version 1 are discussed in

Volume 1. Included are discussions of the purpose, the assumptions and limitat.ions, and thederivation. Chapter 2 of Volume 1 contains a description of the groundwater-flow model and thecomposite-porosit,y model of the flow media. Chapter ll of Volu'me 1 is devoted to describing tilecontaminant-transl)ort model, il_.cluding the submodels for source ternl, I_lat.rix diffusion, distmrsion,radioactive decay, etc. Both chapters offer exalnple problems that show the overall perfortlmzice of themodels and methods. The example problems in Chapters 2 amt 3 o1'this User's (21uicte, Volume _,

supplement that discussion.

rl'his User's Guid_-' is both the user's manual and the refer_,nce manual tbr TOSPAC, Version l.

Chapter 4, General l:Leflerence,contains top-le.wel flow diagrams, descriptions of the input data(Sect, ions 4.2 and 4.6) and the format of the input data (Section 4.7), aJtd descriptions of the outputdata (Sections 4,6 and ,1.7). Chapters 2 and 3 offer sanlph_ problems. System requirements art::dis('ussed in Chapter 1 and Section 4.6.

.A listing of the source code Ibr TOSPAC Version 1 is coi_l.ained in t,he Sandia National [,aboratol'ies(SN I,), Yucca Mountain Site Characterization Project (YMP), Software Configuratioll Management,System.

Verificat, ion and validation doeumel_tation, other than that. mentioned in Section 1.8, Aplflicatioz_s, is

incomplete. Ei.ther anot, her volume will be added to the 'I_OSPAC. docullhentation, or verificat, i(m andvalidation will be addressed I)y each analysis that uses 'I'OSt'AC, _ a tool.

TOSPAC Version 1 has been admitted to the SNI, YMP Software Conliguratioll Management Syst,enland lt,ecords Managernent Syst.em. A con@ere record of all documentation, w;rsions, andmodifications is maintained by this system.

A version mlmb¢:r is shown in the TOSPAC main melm. This number is assigned by t,he SN l, Y MP

Sof'tware Configurat, ion Management System. This User (7,uide should, for the most part, apply t,o aliTOSPAC versions I.

accuracy 8, 18, 33, 61, 84, 105, 146, 163,210, 215, saturated-zone 147, 179, 185, 188.-189221 source 22, 147, 18l.-18,1

activity 23, 191; see also radioactive decay title 15, 52, 146, 148--149actual amount presezlt (of contaminant): see botton_: see location, legend, release boundary

release type bound keyword 265adso_pt, ioa 8; ,,;ce also retardal, ion boundary conditions 18.19, 54-58, 58, 89, 98,advectioll-dispersion equatioll 4, 18, 217 16!)- 177, 194--205,206air-entry pressure 79, 155, 174 changing at tinge snapshots 25, 26, 16._1 177,area of repository 22, 183; see also cross-sectional 19,1.--205

area boundary kcyword 294automatic mesh generator: soc mesh, calculational boundary-c.ondition flagaxis limits 39, 41, 42, 45, 46, 48, 50,233 DYNAMICS 172.-177axis type 38, 41, 45, 50,233 STEADY 19, 172--175axis u.nits 39, 41, 42, 45, 46, 48, 50,234-235; see TRANS 25, 195-205

also unit,s box k(_yword 295

azimuth angle: see view (3-Ii)plots)capacitance, v,,ater 5, 69, 71L,74, 107, 1115

batch execution 136,300-.-303 carbon (1,1) 89Bateman equations 6,217 center: see location, legendblock designator 14.8,266,291, 29,5 chains: see decay chainsblock terminator 147,267,296 characteristic curw_s 5, 8, 15, 17 18, 33, 57, 66,blocks 138, 146..-148, 148,222, 265,291; see also 79, 104, 155--159,233,576.-277,277

plot blocks dryil,g and wetting 57, 79boundary-condition 146,216 van Genuchten 17---!8, 66, 68, 79, 155. 156

DYNAMICS 169---177, 178 characteristic solution 111, 164

S'I'EADY 18, 169..-177 characteristic-curve ttag 17, 155-/59TRANS 24, 194-202,203 combil,ation method: see characteristic curves

constant, s 15, 146, 149--151, 216 command file 300-303contaminant-property 23,147, 189-19,t composite-porosity inodel 5, 7, 151file 1,t7, 216,302 compressibility

DYNAMICS 59, 177-180 bulk rock 17, 69, 153STEADY 19, 177.-180,209 fraclure 17, 69, 153TRANS 28_ 177-180 wat(,r 16, 69, 150

geologic-unit 146 computersS FEA[)_ and DYNAMIC, S 16, 151-154 Data (:,eneral 11TRANS 23, 184--188 IBM PC, 11

initial-condition 1.,47 VAX/VMS 17l, 12, 61, 62, 98, 301I)YNAMI(.:S 180--.-181 concentration 5, 25, 46, 125, 127, 128, 1,(t7

STEADY 180 concentration gradient 197TRANS 28,202-205, 2t15 const keyword 265

material-property 17, 66, 146, 154--159, !60 conta keyword 265inestl 18, 146, 159.-169, 168 (:OVE 2A 9

310 IN DEX

cross-sectional area 16, 1.50; see also area of DYNAMICS 59, 61, 63--64, 171, 179,211,repository 214,277.--282

cumulative rele_Lse: soc release _,Yt)e STEADY 20, 32, 34, 98, 99, 171, 1178,209,269-271

Darcy's Law 4, 18, 74, 1.64,206 rI'I_.A.NS28,33, 36, 98-100, 101.-..102,179,data blocks: see blocks 217, 220,283--287data-table method: see, characteristic curves plc,t-dai, a 37decay chains 89, 189 DYNAMICS 59, 171, 179, 211,214,241,261,decay, radioactive: see radioactive decay 271---276,291defaults 14, 15, 39, 146, 222 STEADY 20,28,32,33,38,53,98,171,178,density 179,209,217,219,230,261,271-276,291,

bulk rock 23, 185 302

water 15, 150 TITANS 28, 33, 44, 55, 98, 179,217,220, 2,17,design documentation 307 261, 287--290,291,302diffusion coefficient 24, 120, 192 plot-definition 37, 54, 65, 81-83,131-134,222,dispersion coefficient 117-120, 121, 186--187, 2,t8; 223,229, 230-260,290-296,297,301,302

see also diffusion coefficient, dispersivity _t, ura.t_ion-curve 156, 157,276..-277,277,278dispersivity 23, 120, 186 source 183,282-283,284DISSPLA 136,223,263,296 STEADY solution 20, 32, 178, 180,209,distribution coefficient 24, 123, 192-193; ,sec also 267.--269

retardation flux

DYNAMICS module 4, 57--65,211-216 cc,lll_aminant 197

wa_er 74, 174,243elevation keyword 294 fl_lx d('viation 33, 88,105, 209elevation lines (3-D plots) 48,254-255 tlux pulse 88EPA ratio 126, 130,258; see also release type F()itT[{AN 3, 62, 135

EPA release limit 2,t, 192,258 fract,ure spacing 23, 186EPA sum 258 fract,tlre surface area 23, 123, 186error check 143-144 fracture-material index 17, 153

file keyword 265, 294 gcolo keyword 265file names 263 geologic units 86, 88, 151, 185,234; .see alsofiles blocks, geologic unit

graphics-driver 37, 39, 53, 56,222,224, GWTT: see travel time260-262,296,302,303

hydraulic-conductivity-curve 1.57,277, 279 half-lille 23, 191; see also radioactive decayinitial-condition header, input-data 148

DYNAMICS 59, 179, 180,214,267--269; _ee hydraulic conductivity 5, 70, 79, 106, 114, 155,also files, STEADY solution 158,277; see also characteristic curves

TRANS 204, 220,283,285 EYI)ftOC, OIN 9

input-data t4, 146-148 hydrostatic flow 19, 181creating 138-144 hysteresis 8, 57, 79DYNAMICS 59, 60, 138, 14g-1_',, 911,213,

263-267,280,301 imbibition 9, 57, 58

modifying 138, 144-.146 in;plicitness factor 16, 84, 150STEADY 14--20, 21, 32, 90---92, 138, 148-181, INDKIA module 4, 13-29, 59, 138--205

206, 208,263--267,268, 269,301,302 il_iti keyword 265TRANS 22-29, 30--31, 33, 93--97, 138, initial conditions 20, 28, 98,180-181,202-.205,

148-149, 177--.180,181--205,217,219, 267-269,283263--267,285,301,302 initial.-condition tlag

output-listing DYNAMICS 180-181TRANS 28,204,283

INDEX 311

input-data requirements 138-205 mesh, c.alculational 18, 40, 57, 84, 88--.89, 103,inventory, contaminant 23, 191 159-169iodine (129) 89 mesh generator 18,166--169, 1(58,170, 173, 196ITALIC font 11, 16 trial a_ld error 88, 1161/.-164

mill-tailings problem 11-56, 116,302keywords mode keyword 294

"' input-data file 265-266plot-del(nit(on file 293-295 neglog (negative logarithmic): see axis type

nonlinearit, y 3, 5, 33, 69, 86, 105, 163label keyword 294 number keyword 295labels, legend 51,238,241,245,252,257 numerical instability 61, 74 206, 20'.), 215laboratory-scale calculations 9, 57-.-84,302.403 numx keyword 294landscape: see orientation, plot l_tlllly keyword 295left: see location, legend

legend 42, 45, 51,236 orient_l,:,,.:,n keyword 294legend keyword 293 orientation, plot 41,50,237lin (linear): see axis type OU'I'PI, O'I' module 4, 37--55, 65--79, 100,222---262location, legend 45, 51,236 output.-lisl, ing control 20, 28, 178, 179.-.-180log (logarithmic): see axis type out,side: see location, legend

lower: see release boundary pentadiagonal-matrix solver 217

mass (of contaminant): see release type plot blocks 291--292mass balance 62, 11)0 plot. sectiol:_s 29lmater keyword 265 plot t.it,le 2,'.t!, 291material keyword 295 plotsmatrix ditfusion 7, 123, 187; see also capacitance vs. elevation

matrix/fracture coupli.ng I)YNAMICS 74, 78,242matrix-material index 17, 1511 STEADY 115,232matrix/fracture coupling 5, 46, 123, 124 capa_citance vs. pressure head 69, 71, 107,231,

matrix/fracture coupling factor 5, 23, 187 242menus characteristic curve 66, 68: 1104,231,242

INDATA hydrology modification 145 composite capacitance: see plots, ca,pacita, nceINDATA main 14, 22, 142 vs. pressure headINDA'rA transport modification 145 composite crmduc,qvity: sec plots, conductivity

OUTPLOT (DYNAMICS results) 66,242 vs. pr_!ssure b,..'.a,dOUTPLOT (DYNAMICS results) flux 243 concentration vs. elew_tion 50-51,52, 125,248,OUTPLOT (STEADY results) 38, 41, 42,231 250---.251t

OUTPLOT (STEAI)Y results) velocity 41,237 COl_cent,ration vs. deva.tion vs. time 46--48, 49,OUTPLO'.I' (TRANS results) 44, 46, 50, 53, 247 127,248,253--255OUTPLOT (TRANS results) concentration 46, concenl,ration vs. time 128,248,255-258

50,251,253,256 conductivity vs. elevation

OUTPLOT (TRANS results) dispersion coeff DYNAMICS 74, 77,242249 STEADY 11.4,232

O!ITPLO'r (TRANS results) release 44,259 conductivity vs. pressure head 66-69, 7(1, 106,O!.:'.i..°Lo'r main 37, 44, 53, 55, 65,230 231, 233. 237,242time conversion 19, 24, 171, 175, 195, 198 coupling vs. elevation 124,248TOSPAC main 13, 20, 29, 32, 33, 35, 59, 65, dispersion vs. elevation 121,247,248.-250

136, 142, 5:_8, 213, 219, 229 flux vs. elew,.tionmesh keyword 265 DYNAMICS ,69..-74,75,242,243-246mesh points per box 39,233 STEADYlI0,231mesh points per number 39,233 mesh/stral;igraphy 38-39, 40, 66, 67, 100, 103,

170, 173, 196,231,232-233

312 INDEX

moisture contenI, vs. eleva.tion 1.19, 247 sal,ura.tion 62, 69, 109, 155, 158, 2,16, 276---277; socpressure head vs. elcwat,ion also charact(_ristic eurw_.s

DYN A MICS 69, 72, 85,242 sa.turat,ioll data-table nlethod: soc characteristicSTEADY 108,231 curves

release vs. time 4,1---.45,47, 129, 130, 2,18, scal(_ dal,a 39, 41, 42, ,15, 46, 48, 50,234-235258-260 section designator 291., 295

re.tardal, ion vs. elcw_l.tion 122, 248 sensil, ivii,y to data 8saturation vs. elevation SItELI_ module 4, 13, 135, 136

1)YNAM1CS 69, 73,242 sit,e-soMe calculations 5, 11.-.56, 86---126,303STEA I)Y 109, 231 sna.phot,s: see time snapshots

saturation vs. time 74--79, 80, 242, 24(3 sna.pshot keyword 294travel tilne 116,232,239-.241 solubility 23, 184, 192velocit,y vs. elevai, ion 113 sourc keyword 265

DYNAMICS 74, 76,242 sour<x_[lag 22, 8!3, 182,282S'.I'I'3AIDY41-42, 43, 112,232,237--2:19 source term, ('olltalllinaHt 6, 22, 89, 181 184,'I'R,ANS 118, 247 282-283

water nm.s_ vs. time 74-79, 8(1 242 al, I)oumtary 22, 25, 182l)lottyt)e keyword 294 collgrm;nt leach 89, 182, 18,4,plutonium (240) 89, 190 SA N [)91-0155 182,183.--184polar angle: see view (3-13 t)lots solubilit,y-limited leach 182pond drain 174 speci_s keyword 294pond max. paramet, er 89, 174 S'I'EAI)Y lnodule 4, 32-33, 98, 206-.210pore-size distribution 7!11 stratigraphy: see geologic unii,sporosit, y 17, 15.'1 subnlcsh 162..-.163

fracture 17, 89, 153portrait: see orientation, t)lol, table lookup 156-157precipitation 219 technetium (99) 89pressure head 5, 19, 69, 72, 105, 108, 173 thoritml (232) 89, 190pressure-head bounds 206 thne lines (3-i[) plots) 48,254

time snapshots 244quality assurance 307 boulldary-condition block 169- 177, 194--202

plot,,ing 51radioactive decay 6, 189; sec also Ba.teman pon_l-drain boundary 17,'1

equations rest._trl, iS1,216radioactivity: see release type selection 18, 24, 58radius: see view (3-1) plots) timesl,ep-control fa.ctor 16, 84, 1,50,215,221rate of release: see release type /;itlc kcyword 265release boundary 4,5,259 top: see location, legend, release boundaryrelease keyword 294 tortuosity 23, 120, 186release limit 23, 191; see also EPA release limit TOSPAC

release type ,t4, 45,258, 259 ca.l)abilities 5-7, 6requirements specification 307 limil,ations 7-8

residual saturation 59, 155; see also characteristic modular stru(:ture 4, 135curves version 1, 308

restart 16, 151,216 TRANS module 4, 33-35, 98,217--.221retardation 7, 120-123,122 traw',l time

Richards' Equation 4, 1.8, 66,211 end position 16, 1151right: see location, legend groundwater 6, 8, 16, 62-65, 111--.117,150.-151,

239--240,271

sample saturation' see saturation start position 16, 1.51satur keyword 265 tracer 6, 8

INDEX 313

tridiagonM..matrix solver 58,206,211tuff 9, 57, 86--88TYPEWRITER font 11, 16

unit keyword 295

units 15, 24, 14(3, 149, 171-.I72,215, 221,234, 266in input-data file 150SI 15, 39, 149, 234

unsaturated zone 5

upper: see release boundary

uranium (2a6)89,1190uranium (238) 11, 89

validation ,307van Genuchten. cha.ract.eristic curves: see

characteristic curves, van Genuchtenvail Genucht, en method: see characteristic curves

van Genuchten table-.lookup method: seecharacteristic curves

velocity correlation length 2a, 120, 186velocity, water 4a, ,58,74, 105-111, 112, 11113,117,

tlS, 237verification 307

vertical bar (I) 266, 29'5

view (3-D plots) 46,253view keyword 294viscosity 1,5

water ma.ss 62,246water (,able 11, 58, 88, 111water-table fluctuation 9

xaxis keyword 293xfactor keyword 293xlimits keyword 293xunits keyword 293

yaxis keyword 293yfactor keyword 293ylimits keyword 293Yucca Mountain 3, 86-88

yunits keyword 293

zfactor keyword 29azlimits keyword 29azunits keyword 293

a: see characteristic curves, van Genuchten

/3".see characteristic curves, van Genuchten

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I J. W. Bartlett, Director (RW-I) i S. J. Brocoum (RW-22)

Office of Civilian Radioactive Analysis and Verification DivisionWaste Management Office of Civilian Radioactive

U.S. Department of Energy Waste Management

i000 Independence Avenue, S.W. U.S. Department of Energy

Washington, DC 20585 IO00 Independence Avenue, S.W.Washington, DC 20585

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Washington, DC 20585 Waste Management

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i000 Independence Avenue, S.W.Washington, DC 20585

I 1 G ".S. GOVERNMENT PR;NTING QF, ,C_: I-?.,-32--G7312g'801C0

u rl r"

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