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G. T. YEH
Guymon[1970] usedan equivalent variational principle of a where •r is defined as transversedispersivity.Let L denote the
one-dimensionalsolute transport equation. The finite element operator on c in (2); thus
solution so developed required approximation only' in the
Lc = 0 (8)
spacedomain. With a specialexponentialtransformation on
the variable, he was able to convert the coefficient matrix into For the finite element method
a symmetric one. However, for higher dimensionsit may be
difficult to find a transformation similar to the one used by
Guymon in order to obtain a symmetriccoefficientmatrix. A
C• •= •'•ci(t)N
i=1
i=NTc (9)
subsequentpaper by Guymonet al. [1970] developed a vari-
whereN r is the transposeof the interpolationfunction,N.
ational principle for two-dimensional solute transport equa-
The residue become Ld. The principle of Galerkin method
tion without mixed partial derivatives. The case with mixed
requiresthat
partials were later discussedby Nalluswami et al. [1972]. No
transformation was used in either case and discrete time inte- (Ld, W,)• = 0 (10)
gration was required.
Equation (10) states that the inner product of Ld and the
Generalization of the eigenvaluetechniquefor the ground-
weighingfunction Wi over the solutiondomain B vanish.
water solute transport problem has been made possible,how-
The integrations in (10) are now carried out and the results
ever, with the Eispack computer package developed by the
are expressedin matrix and vector notation as follows [Yeh
ArgonneNational Laboratory [Smith et al., 1976]. The major
and Ward, 1981]
feature of interest herein is that this package can calculate
eigenvaluesand eigenvectorsof any real matrix, regardlessof (11)
cr[Md + (K- A + E)c-p] = 0
symmetry.The eigenvaluesand eigenvectorsof an asymmetric
real matrix may be complex. in which
K=IIB
transport in saturated porous media [Hwang and Koerner,
1983a] -3-tlDxy{C3-•xxW
[nD•,•,{c3-•xxW}
{c3•NxN}T r
nR•-•= •xxDxx•x+Dx•y t [x3+
q-nOyx{•yW}$•N•
r rid$•W•r]ax ay (13)
• "-ffB
(['rx{•'•'XW}
{N}T-lt-
['r
•W• j{N)T)
.•[-•y dxdy (14)
- X (V•c) +• (%c)- nXRc + c* (2)
in which
E=•••n2R{
W}{N}
Tdx dy (15)
R
c concentrationof the pollutant;
retardation hctor, equal to 1 + (p•k/n);
M=f•nR{W}{N}rdxdy (16)
p•
k
n
bulk densityof the porousmedium;
distributioncoefficientof the pollutant;
porosity of the porousmedium;
P= c*{N}dxdy+ nD,,,,•xx+ nD,,• )%,
•yy-V,,c
D•, D•, D•, D• component of dispersion
V•, • Darcianvelocitycomponent;
coefficient
tensor; +(nD•,,•x
+nD•y•yy--
V•c)]n•{W}ds (17)
2 first-order decayconstant;
c* mass rate of release of source. The area integral on the right hand side of (17) represents
the "load" from the sourcewhile the line integral accountsfor
Dispersioncoefficientsfor isotropicmedia were givenby Schei- theboundarycondition.The n,,,n• arethedirectioncosines
of
deqqer[ 1961] as outward normal with x and y axes,respectively.
Equation (11) also implies that
rx• %•
Ox•
= DLI• + O•igle (3) Md + (K- A + E)c-p=O (18)
V"•-
D•= DT1-• V•-
q-DLiVi2 (4) or (equation (1))
•= --Bc + Fp
rx%
(5)
Dx•
= D•x
= (DL-DT)i• •' in which
• = -- D• + Gp (25)
where D is the diagonalized matrix having eigenvalues2i of B
•,=•, i=1 G,.iPi.
o- G,.iPi.o*
+a, (32)
i=
G = F-1M -1 (26)
a,=i=
•F,•
1 , - Xci,O
--Z Or,i(Pi,o
- Pi.o*) (33)
i=1
Equation (25) is expandedin matrix form to yield
• r= 1,2,...,n
•r = Fr,i l Ci,o
i
0
Ol,1 G1,2 ... Ol. r ... Ol, n P•
G2,1G2,2... G2,
ß
r ... G2,
n e2
Note that for time-invariantboundary conditions,p• is a
Gr.! Gr.2''' Gr.
r ''' Gr,
n constant,not a function of time. Therefore Pi* vanishes.For
.
suchcases,(34) reducesto
G,,.i Gn.2 '.. G,.,. ... G
(27)
The systemequation is decomposedinto a set of independent
equations:
i=1
•r= --';'r•r
+ • Gr.iPir= 1,2,'",n
i=1 Back substituting{34} or (35) into (22), one obtains {36),
which is the explicit expressionof the solution for each nodal
For time dependentboundaryconditions,pi is a functionof point as a function of time:
time. Integration of (27) yields
CauchyBoundaryCondition -- nyD•y•xx
+ Dyy = 0 onB, (39a)
The Cauchy boundary condition is generallyimposedon
where B, is the Neumann boundaryßIt should be noted that
the flow-throughboundarywith which flow directsinto the these boundary conditions should be applied far away from
region.This boundaryconditionexpressedmathematicallyis the source so that the conditions can be satisfied.
given as
Boundaries on which the Neumann boundary conditions
are imposed are either the flow-through boundary with out-
nx Vxc- D•xx +D•y flowsfrom the region or imperviousboundariesß For the latter
casethe line integral in (17) is zero becauseof (39a) and the
factthat nxV•+ n•V•= 0. Therefore
the corresponding
entries
+ nyV•c-- D•y•xx+ Dyy in p are all zero. For the former casethe normal gradient of
concentration is generally assumed to be zero, as given in
= (n•V•+ n•)ci• on B• (38a) (39a), and the line integral in (17) becomes
wherec•. is the concentrationof the incomingfluid which may
be a Mnction of time and B• in the Cauchy boundary.Consid-
er that the boundary side with a length I connecting the rth
s-{N}(V•n•
+V•ny){
W}
Tds
=-S (39b)
$ is a n x n matrix and should be added to the coefficient
and the (r + 1)th nodes is subjectto an inflow boundary flux matrix for c in (1). The corresponding entries in p are again
with components n•V•ci•and ny•ci.. The line integralin (17) zero. Detailed methodsof applying this type of boundary con-
yields[Desai, 1979] dition can be found elsewhere[Yeh and Ward, 1981].
I Dirichlet Boundary Condition
= ,= + n%)ci (38) On the Dirichlet boundary nodes the concentrations are
For the time-dependentCauchy boundary condition, c•. is a prescribed.For imposing such boundary conditions the Di-
Mnction of time. richlet nodes should be numbered either first or last so that
the matrix size can be reducedwithout complicating the pro-
NeumannBoundaryCondition grammingeffort. For example,there are a total of m Dirichlet
The Neumann boundary condition is expressedmathemat- nodes, and one should number these as first, second ... mth
ically as node, respectively.In matrix form, (2) is now expressedas
1•2
ß
B2,1 B2,2
.
... B2,m
ß
B2,m+
.
1 B2,m+2 ''' B2,n
.
C2
ß . .
ß . .
Bm+2,mBm+2,m+IBm+2,m+2... Bm+2,
n
Cm+2
/ Bm+2,1
•n J
Bm+2,2
ß..
n,1 •n,2 ''' Bn,m
ß
Bn,m
+1 Bn,m
+2 ''' Bn,n
P,n+2
/
Onnodes
1through
mtheconcentrations
areknownforalltime,andtheyaregivenasel, e2, "em,respectively.
Byimposing
the Dirichlet conditions,(40) becomes
1 0 .-- 0 (•1 Pl
0 1 ... 0
ß , ,
ß , ß
0 1
+F bm(41)
Bm+1,1 Bm+1,2 Bm+1,m Bm+1.m+
1 Bm+1,m+
2 ''' Bm+1,n Pm+ !
.Bn,
1
.
Bn,
2 Bn,m Bn,m
+1 Bn,m
+2 ''' Bn,n _ •n
C.m+ bn
By partitioning,
m
Cm+ 2
[•m+
1,m+
1 ,m
+1,n]Cm
+
Bm+2,m+2 Bm+2n Cm+ Fm+2,jPj Bm+2,j
(42)
=_'Bm+i'm+l
ß
iBn,n'
'Cn
ß
Bn,m
+2 Fn,jPj Bn,jC'j
j=l
HWANG
ETAL.:SOLUTE
TRANSPORT 1729
cj.0*= cj* at t = 0
dj,0= dj at t = 0
Fll F1,2 '" Fl,n Pl For time-invariantboundaryconditions,
+ r2', F2,2'" 21,. p.
2 (43)
pj* = 0 Pj,0= Pj = const
cj* = 0 6j,0= 6j = const
or
and (47) reducesto
E F1,jPj-'•'1'+ •1 -----
fl
j=l
i=m+l
• F2,jPj= •2'+ •2 = f2
j=l -- Fr,i • Fi,jPj-- Bi,j •r- • e-
i=m+ 1 kj = 1 j=
SOLUTION PROCEDURES
Notethatin (44),Fi.jareconstant
coefficients
andf l,f2, .-.,
fmareknownfunctions
of time.Thematrix(Fi,) canbetri- By wayof illustrating
theuseof thistechnique,
weassume
angularized,and the multiplication factors are recorded thatan aquifersystem
is sufficiently
welldefinedandthat all
duringthetriangularization
process.
ThusPl,P2,"', Pjcan the hydrogeological
parameters
are knownthroughoutthe
be determinedthroughback substitution.
They are linear aquifer
system;
thesolute
concentration
at anynodeat any
combinations
off•, f2, '", f• and thereforeare functionsof timecanbecalculatedbytakingthefollowing
steps:
time.
1. Assignthe valuesto the matrices
M, K, A, andE, as
Observethat in (42) the matrix sizehas been reducedfrom wouldbedonein finiteelement method,andcompute B and
n x n to (n- m)x (n- m). Usingsimilaritytransform((22), F accordingto (19) and (20).
(23), and (24)) (42) is now decomposed
into a set of linear 2. Applyboundary conditions to obtainp.
independentequations: 3. Calculate
eigenvalues andeigenvector matrices/t
andF,
andcomputeG according to (26).
4. For theproblem in whichno Dirichletboundarycon-
i=m+l j
ditionsis prescribed
(e.g.,isolatedsource),
the solutecon-
centration
at anynodeat anytimecanbecalculated
through
-- •1Bi'J r=m+ 1,m+2,''',n (45)(36)combined
J
with(34)for time-dependent
boundary
con-
ditions
or with(35)fortime-invariant
boundary conditions.
For time-dependent
boundary
conditions,
pj and 6j are 5. Fortheproblems in whichDirichlet
conditions
arepre-
functions
of time.Afterintegrationwithrespect
to time,(45) scribed
ona portionofthebounda.ry, thesoluteconcentration
becomes
canbe calculated through(36)combined with(47)for time-
dependent boundary conditions
or with(48)fortime-invariant
_ F,,i i Fij(eZ,tpj
_ pj.) boundary conditions.
•r i=m+1 Lj=1 ' The matrixB so assembled
is asymmetric
dueto the con-
vective
contributionunlessthedispersivity is assigned
an un-
- • Bi,j(eZ'Tj-cj*) + dZ'•a, (46) realistically
highvalue.Theeigenvalues of a realasymmetric
j=l
matrixarenot all real.In fact,it is expected thatcomplex
in whicha, is the integrationconstantand eigenvalues
will appearas conjugate pairsand so as the as-
sociatedcomplexeigenvectors. The Eispackcomputer soft-
warepackage developedbytheArgonne NationalLaboratory
cj*
=fdj'e
x"
dt canbe usedfor calculatingthe eigenvalues andeigenvectors
matrix of a generalreal matrix.
and6/is thetimederivative ofdj. It appearsthat the eigenvalues computedfor the casestud-
Theintegration constanta,isdetermined throughtheappli- iesareall distinct.
However, it is notnecessary to implythat
cationof initialconditions.
Backsubstituting theexpressiontheeigenvalues for groundwater solutetransport system are
fora, into(46),oneobtainsthefinalformfor4,as alwaysdistinct.
Nevertheless, if theeigenvaluesof matrixB are
notalldistinct,
thematrixmayor maynotbediagonalized. If
•r:{•-2I-'r,i
-1C--[[•-2-•-2 --
i=m+l
i,0 i=m+l
F,,i Ij=l Fu(pj,
o Pj,o*) the matrix
independent
can be diagonalized,
eigenvectors.
Eispack will
If diagonalization
yieldall
is impossible
the n
the
matrixcan alwaysbe reducedto the Jordancanonicalform.
- j=l• Bi,l(6j,o
- Cj,
o e Thedetailedproceduresof calculating
theeigenvectors
of
multipleeigenvalues
otherthan the generalized
one can be
1730 HWANG ET AL.: SOLUTE TRANSPORT
lOO
found elsewhere[Chen, 1970]. A computersoftwarepackage
is available for the reduction of a generalmatrix to the Jordan i=11
canonicalform and calculatingits eigenvectormatrix [Kag-
stromand Ruhe, 1980]. -(1- 0'){-3.573
x 10-8(Fi,•+ F•,•o)
NUMERICAL EXAMPLES + 1.211x 10- 7(Fi,:+ F•,9)
The resultsof an exampleproblem computedthrough the + 7.877x 10-2(Fi,3+ F•,8)+ 0.4521(F•,½
+ F•,7)
proceduresof this method are presentedand comparedwith
an analytic solution I-Cleary, 1978]. The solution domain is a + 0.5600(F,.s
+ Fi,6)]} (50)
rectangle,548 m x 274 m. The grid usedto comparewith the 2, is theeigenvalue
of B•.•,
analytical solution includes81 rectangularelementsof equal
size (60.96 m x 30.48 m). There are a total of 100 nodes. The r- 11, 12,..-, 100
nodal numbers start from 1 at the southwest corner and in- i=11, 12,.-., 100
creaseby one at each node going north along the west bound-
ary. The samenumberingsystemis repeatedon linesparallel j-- 11, 12,..., 100
to the west boundaryand march toward the east boundary. F is the matrix of the associatedeigenvectors.
Consequently, the nodal number is 100 at the northeast The concentrationat any nodal point at any time can then
corner.
be calculatedby
A exponentiallydecayingstrip sourceis distributedalong lOO
the west boundary beginningat 91.44 m to 182.88m north to
the southwest corner to simulate the emission of leachate from
=
i=11
10 CONCLUSIONS
! ! i !
.200
. 100
Distance (m)
The boundary conditionscan be time dependent.The final the analytic solution engenderedby heterogeneousgeologic
solutionto groundwatersolutetransportequationis (36) cou- formationsand irregularboundarygeometry.For someprob-
pled with (47) or (34), dependingon whether there are Dirich- lemsin which only somebut not all concentrationresponseat
let boundary conditionsprescribedon portion of the bound- certainlocationsat certaintimesare needed[e.g., Willis, 1979;
ary. For time invariant boundaryconditions,(47) and (34) can Hwang and Koerner, 1983b], the eigenvaluetechniquepresent-
readilybe reducedto (48) and (35),respectively. ed herein can be very useful.
Using the similarity transformation, the coefficientmatrix B
is diagonalizedor reducedto a Jordancanonicalform having Acknowledgments.This paper is basedin part on the project sup-
eigenvalues
of B alongitsdiagonal.
Thelineardynamic
system ported by the U.S. Environmental Protection Agencythrough Ecol-
ogy and Environment, Inc. (E & E), Buffalo, New York (contract
is then decoupled,and the time integrationcan be done inde- HQ-8111-03B). The program managers from E & E, S. Richardson
pendentlyand continuouslyfor eachnodal point. and J. S. Chieh, are acknowledged.
In contrast to the situation where the coefficient matrices
are all symmetricfor the groundwaterflow equation,the coef- REFERENCES
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