April 1989 Agronomy and Soils Departmental Series No. 133 Alabama Agricultural Experiment Station Auburn University Lowell T. Frobish, Director Auburn University, Alabama SOLUTION OF THE ONE-DIMENSIONAL ADVECTION AND TWO-DIMENSIONAL DISPERSION EQUATI ON Feike J. Leij and J.H. Dane Graduate Student and Professor of Agronomy and Soils Alabama Agricultural Experiment Station Auburn University Auburn University, Alabama Lowell T. Frobish, Director ii CONTENTS LIST OF FIGURES AND TABLES . ABSTRACT INTRODUCTION THEORY .... . . ... VALIDATION OF ANALYTICAL SOLUTION THE EFFECT OF TRANSVERSE DISPERSION SUMMARY AND CONCLUSIONS .... LITERATURE CITED . . . .... APPENDIX ... .. .... ON SOLUTE TRANSPORT . . . . . . . . . . APRIL 1989. Information contained herein is available to all without regard to race, color, sex, or national origin. iii page iv vi 1 4 14 23 40 41 43 LIST OF FIGURES AND TABLES page FIG.1. Schematic of 1-D advection and 2-D dispersion in a half plane for an isotropic medium..........5 FIG.2. Solution of the 1-D advection and 2-D dipersion equation for various times. ............ .... 16 FIG.3. Comparison of the half-plane solution with the semi- infinite strip solution by Bruch and Street (3) . . . 20 FIG:4. Comparison of the analytical (half-plane) and the numerical (finite element) solution...........22 FIG.5. Physical and mathematical characteristics of transport in a two-layer medium with advection along the interface................ .. 23 FIG.6A. Concentration profiles in the transverse direction at various times, with transverse dispersion (solid line, 2-D transport) and without transverse dispersion (dashed line, 1-D transport), at x=2..........25 FIG.6B. Concentration profiles in the transverse direction at various times, with transverse dispersion (solid line, 2-D transport) and without transverse dispersion (dashed line, 1-D transport), at x=6. ......... 26 FIG.7. Concentration profiles in the transverse direction at x=6 for various times, using a first- and third- type boundary condition. .............. 26 FIG.8 Concentration profiles in the longitudinal direction in layers I and II at jyj=1 for various times, with transverse dispersion (solid line) and without transverse dispersion (dashed line).......... 29 FIG.9. Physical and mathematical characteristics of transport in a two-layer medium with flow perpendicular to the interface...... ........................ 30 iv FIG.10A. Lines of equal concentration, C/C0, at various times with( T )=(x T)........................ 31 FIG.10B. Lines of equal concentration, C/C 0 , at various times 0 with(T( I TII.......................................31 FIG. 11. Concentration profiles in the longitudinal direction for various values of y and t................... 33 FIG.12. Breakthrough curves at various positions during transport in a two-layer medium with the interface perpendicular to the direction of flow........ 34 FIG. 13. Characteristics of the flow and transport problem from the soil surface to a drain...............3S FIG.14. Grid system, velocity field and equipotential lines for the problem sketched in figure 13. ........ 37 FIG. 15. Lines of equal concentration C/C at various times with a- equal to 1 cm (solid line) or 5 cm (dashed line) . 38 FIG. 16. Breakthrough curves at various positions for transport to a drain ........ .............. 39 Table I List of Physical and Mathematical Parameters for Calculations.............. ..................... V ABSTRACT For many transport problems involving 1-D flow, a significant amount of solute might move in the direction transverse to the flow. The analytical description and the experimental determination of transverse solute movement are more complicated than for longitudinal solute movement, and quite often simplifying assumptions are made to predict transverse transport. This publication reports how the advection-dispersion equation was solved analytically to study transient solute transport in a two-dimensional semi-infinite isotropic porous medium (half-plane) with a step change in concentration along the inlet during i-D flow. The solution was obtained with Laplace and Fourier transforms and verified with various numerical and analytical solutions. This solution can be used to determine longitudinal and transverse dispersion coefficients in a relatively fast and straightforward manner. It can also be used to evaluate the validity of simplifying assumptions (steady-state, no longitudinal dispersion) for other solutions. The importance of transverse dispersion for solute transport was investigated numerically for three cases with a finite element code. The first case involved 1-D flow parallel to the interface of two layers with differing pore water velocity. The early arrival of the solute in the low permeability layer and the increase in solute vi spreading for both layers, as a result of transverse dispersion, were demonstrated. Two other examples concerned transport of a pollutant from a point source located at the soil surface. The magnitude of the transverse dispersion coefficient influenced the region to which the pollution extended, as well as the intensity of the pollution. Finally, transverse dispersion was shown to affect the movement of a pollutant to a drainage pipe. vii INTRODUC'rION Transport of soluble chemicals in porous media, an important topic for many researchers working in engineering, agriculture, and hydrology, is generally assumed to occur by advection and dispersion. Because of the large variability in the field, use of the mass balance equation, on which the advection-dispersion equation or ADE is based, is being questioned to describe transport in natural soils. Although this subject is still under active investigation, application of the ADE is likely to continue for research purposes and as such will be used in this study. From the two terms contributing to the total solute flux, the advective flux is generally known or can easily be obtained by solving the flow problem. The autonomous dispersive flux occurs because of differences in concentrations. Much work has been published on dispersion phenomena, in particular to investigate the dispersion tensor (1). The dispersion in the direction of flow (longitudinal dispersion), is noticeably different from the dispersion perpendicular to the direction of flow (transverse dispersion). The mechanisms causing transverse dispersion are molecular diffusion and "wandering" from the flow path (17). Solute movement in the transverse direction has to be taken into account for transport modeling whenever a gradient in concentration occurs in that direction (e.g., in the case of a non-uniform solute source or velocity distribution). Assuming that the medium is 2 isotropic, the 2-D transport equation needs to be used to describe solute transport and both longitudinal and transverse dispersion coefficients need to be known. The solution is generally achieved with numerical methods. However, analytical solutions are available for a number of situations. These solutions possess a greater flexibility and do not suffer from some of the errors associated with numerical solutions. Ogata (12) solved the transport equation analytically for radial dispersion from a circular source while ignoring longitudinal dispersion. Harleman and Rumer (8) presented an analytical solution for the 2-D ADE for steady conditions assuming that longitudinal dispersion could be neglected. Analytical solutions for steady transport, which accounted for longitudinal dispersion, were provided by Grane and Gardner (6) and Verruijt (22). Bruch and Street (3) obtained a series solution for 2-D transport in a finite system. Yule and Gardner (23) used an analytical solution to describe transport from a line source, ignoring longitudinal dispersion. Van Duijn and van der Zee (20) obtained approximate solutions to describe transport parallel to an interface separating two different porous media while neglecting longitudinal dispersion. Furthermore, Bear (1) discussed methods to obtain analytical solutions for some specific problems. All of the above solutions have some disadvantages, notably the neglect of longitudinal dispersion. Therefore, the objective of this study was to provide an analytical solution for the two-dimensional transport problem which accounts for both longitudinal and transverse dispersion. This solution can be used to determine the two dispersion coefficients simultaneously. Quantitative information about the dispersion coefficients is generally obtained by displacement experiments (15). The magnitude of the dispersion depends not only on the flow parameters, but also on particle size distribution, particle shape, heterogeneity of the porous medium, the presence of a stagnant phase, and differences in density and viscosity of the displacing and the displaced liquids (14). Compared to the work published on the longitudinal dispersion coefficient, DL, relatively few results have been reported on the transverse dispersion coefficient, D T. Values for Dare more difficult To T to obtain than values for D L, because the concentration distribution needs to be measured in a direction perpendicular to the flow. In some instances, D T is therefore considered to be equal to the coefficient of molecular diffusion. However, Grane and Gardner (6) concluded that "the mechanism of transverse dispersion at high flow rate is dominated by the structure or grain size of the porous medium and influenced only slightly, if at all, by molecular diffusion." Measurements of transverse dispersion coefficients were reported by Simpson (17) and Harleman and Rumer (8). A number of studies have been performed to determine the dependency of D T on the pore water velocity, and the Reynolds and Peclet numbers (9, 10). Yule and Gardner (23) measured both D and D for unsaturated media. Han et al. (7) used media with L T various particle size distributions to determine values for D L and D T o Although analytical solutions are useful for simple laboratory investigations (to determine transport parameters), they are of limited value for field and more complex laboratory problems, for which numerical methods need to be employed to predict solute transport. In addition to the development of an analytical solution, a finite element code was therefore employed to study some more complex transport problems. These problems were selected to meet the primary objective of studying the role of transverse dispersion in transport phenomena. THEORY The assumption is made that the transport of a solute is adequately described with the ADE. The advection term is one- dimensional and the dispersion term is two-dimensional. Transport in a homogeneous and isotropic medium during steady flow conditions is given by: ac a 2_C ac a 2 c at DL ax2 8x +DT ay2() where C is the solute concentration [ML -3 t is time [T], D and D 1.T 2 -1 are the coefficients of longitudinal and transverse dispersion [L T ] respectively, v is the pore water velocity [LT_] and x and y are positions at -the coordinate axes parallel and perpendicular to the direction of flow [L]. The solution domain is a half plane with x-aO and' the other boundaries at infinity. The problem is solved for a prescribed concentration at x=O (a Dirichlet condition). The initial and boundary conditions are (see also the section on the effect of -00 Ky<+oo t? 0 c (0,Y, t)=gy = C c R C(x,y,0)=f(xy) ac =0 yo 00 Oo Oo 1:0 CiCi 0 R 00 ax x-P-000 I Solutions for this problem were earlier presented for steady- state conditions by Grane and Gardner (6), Harleman and Rumer (8) and Verruijt (22). Grane and Gardner applied a transformation to parabolic coordinates to obtain a diffusion equation. A disadvantage of this procedure is that the transformation complicates the boundary conditions, which is a well known disadvantage of the solution of the 1-D ADE if a moving coordinate system is used. Among others, Harleman and Rumer (8) presented an analytical solution for a semi-infinite _ac a~c) system where longitudinal dispersion was ignored (DLa 0 (26-a) 1 F 00 ' k~y) jkMa) exp(-ixy) da - 427-!.00 - x exp[ [X-v% 44rL v 4 D L9 1 2 0D (26-b) exp F From Eq. (23) it follows that: h*k= 1 i27u 00 -00 xh ( v) DT expDLp 2 DT exp[- ()2] (27) This expression is evaluated by using the substitution p(v-y)/2jCDT Eq. (26-a) and the properties of the error function (4): exp) [- ;"'] 2 o4D cL 2 erfc[ yu rfc[ Y ~T 4 T This result can be substituted in Eq. (22) to obtain the following expression for C (x,y,t): t (29) exp II x-vj] 4 DL~ 2 erfcLr y I C R fc [- y 4 T 4 T The second term, C 2 (xyt), is given as follows: h*k= x vD (28) t' To0 x V~ 4 TcDL 13 x1 +x-vt vx+Vt -12 C 2 (xy, t)=-erfc - +exp [ erfc [ v fexp(-DTat) (30) 2 DLt 2 Dt The Fourier inverse term in Eq.(30) is obtained with the convolution theorem, with: h(a) = (31-a) k(a) = exp(-DTa 2 t) (31-b) For convenience, it is assumed that the initial concentration is constant, viz. C.. Making use of Eq. (25) results in the following 1 inverse functions: h(y) = f(x,y) = C. (32-a) 1 r 2 k(y) = exp -(32-b) -4DTt V2DTt The inverse transformation can now be carried out by using the properties of erfc and applying the same substitution variable p: J-1 exp(-DT(2t)J= h*k = exp-(4DT2 dv= C (33) Hence: C 2 (x,y,t)= -2C irfc x-vt + exp I erfc X+vt(34) L DL The last term, C 3 (x,y,t), was already evaluated in Eq.(33): C 3 (x, y,t) = -1[ Y exp(-DTa~t)1 = C.(S The resulting expression for C(x,y,t) is: 14 t C C x {L Ry C(x,y,t)= x {L erfc + 2R erfc - x 0 24DL 2 2DT 2/DT (36) (36) [ x 2- C i x-vt vx It x+vt exp - d _ {erfc[ x-v- ]+exP [-Derfc t +C. 2 A 2[2 D2 L L L The integral in Eq.(36) needs to be evaluated numerically, which is conveniently done with the Gauss-Chebyshev quadrature. The computer program to calculate C(x,y,t), including the function EXF(A,B) to obtain exp(A)erfc(B), is given in the Appendix. Notice that the solution was kept quite general by not specifying f and q. In many other instances, a simpler expression arises if C L or C R and Ci are equal to 0. Transport of solutes which are linearly retarded, because of reactions with the solid phase of the medium, can be described by dividing the parameters DL, DT and v with the retardation coefficient. L' T' VALIDATION OF ANALYTICAL SOLUTION The solution presented in Eq.(36), including the numerical integration of the first term, was validated via comparison with various numerical and analytical solutions for specific values of CL) C and C. First, the steady state solution of Eq.(1) is used under the assumption that longitudinal dispersion can be ignored. This solution was obtained via the Fourier transform of y (18): C(x,y) = ~C erfc[ + erfc - y (37) v 4Dtx/v a 4D X/V The program to evaluate Eq. (37) is also listed in the Appendix. 15 During the validation a porous medium with the following 2 arbitrary transport parameters was assumed: DL=25 cm"/d, DT=5 cm2/d, v=50 cm/d, see table 1. All concentrations were conveniently expressed as dimensionless quantities C/C , with C being equal to unity. The dimensionless inlet and initial concentrations were: CL=1 CR=O C.=0. Figure 2 shows the solutions for various times according to Eq.(36). The solution for larger times was virtually identical to the steady-state solution given by Eq. (37). The "invasion" of the solute into the medium and the flattening of the step front can clearly be observed. The solution of equations describing transport problems usually requires experimental determination of the transport parameters. Experimental conditions as sketched in figure 1 allow the simultaneous determination of D L and D . Breakthrough curves, C=C(L,y,t), can be Table 1. List of Physical and Mathematical Parameters for Calculations Fig. Units Layer v 0 aL DL cT DT Ax Ay At L T LT -1 L L2T -1 L L2T - L L T 2 2cmd - 50 - - 25 - 5 - 3 4 m d - 0.4 0.4 20 8 4 1.6 60 30 100 6 1 10 0.4 2 20 0.5 5 .Sor I cm d 1i. 0.01 S cII 100 0.4 0.5 50 0.1 10 .25 8 I I 2.5 0.4 2 5 0.1 0.25 A11 1m h 0 . . 11c r II 2..5 0.4 2 5 .1/.5 .25/1.25 1 . . 12 14 15cm d - t 0.4 10 - 1.0/5.0 - 1 1 0.05 16 tSee figure 14 for additional information. 16 T*ime = 0.25 d 1.00 0.75 0 0.50 0.25 0.00 Time - 0.50 d 1.00' 0.75 0 0.50 C) 0.25 0.00 ../...... / Ip 0//~f 10 ~ \ \ 20 \ 30 lo, X [C] 4 7'.. 7~'v. 7- .7 7 ' ~- .7 .2' 7 'K 7 / / 7 I, ~ / / / i/il ,( 'N". I / / / I lii I ii I / I I . I I J . I 7 I 1 4 1 1 I / / / I / / ii I / 1~ / I~ / 4 1~ I 1' / I I' / / I' I I I ki I / /i/ 4' i' /2/41 I / ,' / 4 7/,~ ,~ / / ,, ,//.7 7 7 / 10 / 20 / X fcmj 30 0 40 F'JG.2. Solution of the 1-D adveetion and 2-D dipersion equation for various times. 17 Time = 0.75 cd 1.00 0.75 0 0.50 - 0.25 0.00 Steody-state 1.00 0.75 0 C) 1/ 7 J I I I~It , 1 . 15 1 1 1/1 1 1! jijI;!_4- / / ~ I / i ,/\ \\ 0 -I------ Ctij I I / .~ / \/ 5 10 I------ 30 40 40 1/ 'I//i -f I- ~ I 'I I I I' I I I [ ~ ~!/ I I- jill/i! I/Il I'll I li/I I' /I II I I I I I I I I ,I I~ I I -i I I I II, / / / / / I / / i/ 0.50 - 0.25 0.00 X( [CM, 40 FJG.2. Solution of the 1-D adveetion and 2-D dipersion equation for various times. -10 ~-10 / OA 18 measured at an arbritray position x=L for a sufficient number of y-values. The steady state profile, C=C(L,y,w), can be used to determine D T according to Eq.(37). Values for D L can be determined subsequently with Eq.(36) via an iteration procedure. Next, the half-plane solution (Eq.(36)) was compared with the solution by Bruch and Street (3). The mathematical problem studied by these authors obeys the following boundary and initial conditions: 0t> C(0,y,t) = (38-a) 0 -:5y-: n t > 0 C a 0 x > 0 t > 0 y O (38-b) y=0 aC c 0 x > 0 t > 0 (38-c) ay y=n C(cx,y,t)l = bounded 0 - y n o t > 0 (38-d) C(x,y,O) = 0 x > 0 0 - y - n (38-e) o The solution presented by Bruch and Street (3) is: C(x,y,t)= o fc x-vt + Pvx- 4 x+vt J o .(nme nry erfc +exp erfc + sin(-)cos(-) 2n D' n r n n Lo L(39) V 2 2 D T " S XP(v 2 J D ]erfc[ x-DLt (D]+(2nJ D [exp - v '.2nno T erfc L L S X + D 4D + t exp + 1nal erf oL 19 This solution was evaluated numerically with a computer program containing the EXF(A,B)-function. The geometry according to figure I was obtained by shifting the y-coordinate by a distance c to the left. figure 3 contains the results obtained with this solution as well as the results obtained with the half-plane solution. The results are almost identical. For many situations, numerical methods need to be employed in order to solve the 2-D ADE. To demonstrate the effects of transverse dispersion on contaminant transport, some simple problems, which were solved with a finite element code, will be presented in the next section. But first the input parameters of the code will be discussed and a comparison will be made between numerical and analytical results. The code solves 2-D flow and transport problems in isotropic media and was validated for a variety of transport problems. Somewhat arbitrary values were used for the calculations, which represent situations encountered in the laboratory or field. The relevant data for the calculations of all examples are listed in the table 1. it should be noted that dimensions of parameters are quite often omitted, since any set of consistent units can be used. The apparent dispersion tensor, Da) accounts for mechanical dispersion and molecular diffusion and can be defined according to Bear (1): F = xx Dxy] (40) a yx Dyy with 20 x -7,25 cm TIME - 0.5 d l.OT 0.8 ("/Co 06 0.2- 100 -5.0 0. y r X= 50 cmf TIMP .Oi + Bruch and treet xThis work 0 5.0 n 0.& 0.6C C/Co 0.41 0.2- 10.0 -5.0 0..0 0.75 d F Pruch and Street xihis wor k 5.0 10.0 Y[cm] Y 25 cm TIME- 0.75 d 0.8. + DrUch aridS t lreet xThis work C/Co -10.0 -5.0 0.4- 0.2- 00 5.0 r. Y [cm] X-5Ocm TIME =1d 0.8 C/Co 0.4 0.2 -10.0 5.0 0.0 Y [cm] + Bruch ond Street x This work 5.0 100 X2 5cm TIME =1.0 d 1.01 0.81 + rc xThisw C/Co -10.0 -5.0 X -- 50 cm TIME-- 1.25 d i-OT iand Street ,ror k 0.1 0.0 5.0 100 Y [cm] 0.8 .61 C/Co\ 0.4 0.2- 10.0 -5.0 0.0 Y [cm] X - 25 cm Steady stole o.1 + Bruch \ I x This w and Street aork C/Co 0.4- 0.2- 10.0 -5.0 0.0 5.0 100 Y [cm] X=50 cm Steady stole 0.8- ? Bruch x Thisw 0,6, C/Co \\ 0.4- and Street Nork 0.21 100 -5.0 0.0 Y [cm] 5.0 10.0 FIG.3. Comparison of the half-plane solution with the semi-infinite strip solution by Bruch and Street (3). + Bruch and Street xThis work 5.0 10.0 \,,IV . r 21 2 * D = a TjqI + (a -aOT )qx /Iql + D xx TL T x xx D = (a -a ) qq q = D xy= L- T xqy /Iq Dyx (41) 2 * D = a Tq + (aL -a T ) q /Iql + D yy T L y yy where q denotes the average Darcy velocity with components qx and q and vector norm ql [LT-1 ], a:L and aT are the transverse and * * longitudinal dispersivity [L], respectively, and D and D are xx yy components of the apparent coefficient of molecular diffusion [L2T-]. For a volumetric water content 0, the velocity and dispersion terms in Eq. (1) are rewritten as v=q/0, D =D /0, D =D /0 and it is assumed x L xx T yy that D =D =0. The grid system and the time step are chosen based on yx xy Ax the dimensionless Peclet and Courant number. The restraints were: --<5, L vat Ay 0 C(0,y,t) = o (42-b) 0.5 C y > 0, t > 0 o The resulting concentration profiles in the transverse direction, for various t and x, are given in figure 4. The comparison between the analytical and numerical solution is fair, with the best agreement found at larger times. 22 X 300 ry I1(ML -- 500 cd 10f C/Co 0.6 0. 4 0.2 X 600 rn I IME - 1O0 ( 1.OT 4 Numerical solution xAnlytical solution 50 0 50 100 150 Y [in] C/Co 0.8 06- 0.4. 02- 150 10.(C) 0 0 Y [rn] + Numerical solution x Analytical solution 50 1(.)() 150 X- 300 m TIME 1000 d l.OT + 4. +08. 06 ao 0.4 0.21 150 -100 -50 +Numercoal ouin xAnalytical solictin 0 50 100 150 / 600 111 SteaCdy state 41.0 0.4- xAnal) ticail solution 02 150 100o 50 0 5)0 100 150 Y [in] X = 300 m :a)teady state 1.0 C/Co 0.-6- + tumii~c4l solution )e Arnalytic at solution 10 100 o 50 0.4 0 50 100 150 Y [mn] X-- 600 m TIMF = 1000 dI 'l0T 0.8 C/Co 0.6 4 + 0.4- 0.2- .15O 100 -50 C + Numerical solution xAnalytical solution -4-----4- .4.+ 50 100 150 FIG.4. Comparison of the analytical (finite element) solution. (half-plane) and the numerical Based on the results in this section, the analytical solution given by Eq. (36) was concluded to be sufficiently validated. 150 100o THE EFFECT OF TRANSVERSE DISPERSION ON SOLUTE TRANSPORT A sensitivity analysis was conducted to investigate the effect of transverse dispersion for three transport problems. Concentration distributions were determined with a finite element code. The first example concerned a two-layer medium, each layer with its own characteristics, and flow occurring in the same direction as the interface. The physical and mathematical characteristics, including the grid system, are shown in figure 5. The influence of transverse dispersion during flow along such an interface has been studied by a number of authors for different inlet conditions (16, 19, 20, 22). The problem is of interest to study the early occurrence of a solute in a -=0 Dy v = IUII/U i aL= 2 cm aT =0.5cm 0 v =l100 cm/d aT = 0.1cm -2 w . _._._ .... . , *, ._* .. ... ._ _ _ _ - aC -0 Dy C(x,y,0)=0 0 0 FIG.5. Physical and mathematical characteristics of transport in a two-layer medium with advection along the interface. 23 24 low permeability layer as a result of transverse dispersion or to study mixing of salt and fresh water. Furthermore, a layered medium is a simplification of a heterogeneous medium, and can therefore be used to investigate transport in heterogeneous media. In particular, the combined effect of longitudinal and transverse dispersion on the overall spreading needs to be considered in such a case. Figure 6 shows the concentration profiles in the transverse direction at x=2 and 6 for various times. To get an impression of the effect of transverse dispersion, results in the absence of transverse dispersion (1-D transport) are included as well. It should be noted that transverse dispersion causes movement of the solute from the high to the low permeability layer. This is particularly important at the early stage, virtually all the solute in the low permeability layer is then present due to (transverse) dispersive rather than advective transport. For- the half-plane solution it was assumed that a first- or concentration-type boundary condition could be used at the inlet. However, Parker and van Genuchten (1984) showed for 1-D transport that the use of a third- or flux-type boundary condition is more appropriate. Although the solution for the steady-state problem is not influenced by the inlet condition, the solution for the transient problem will be. Therefore a comparison was made between results obtained with the finite element code for the two conditions. Figure 7 shows concentration profiles at x=6 which were obtained by using a flux and a concentration boundary condition. As is the case for 1-D 25 0. C/Co X = 2 TIME = 0.04 0. -2 -1 0 1 2 Y X 2 TIME -0.08 C/o -2 X - 2 TIME - 0.16 -2 -1 0 1 2 Y 0.8 0.6 C/Co 0.4 0- 0 2 Concentration profiles in the transverse direction at various with transverse dispersion (solid line, 2-D transport) and transverse dispersion (dashed line, 1-D transport), at x=2. FIG. 6A. times, without 0.21 26 .0f X - 6 IIMF -0.8 C/CoI -2 1 0 Y X 6 TIME ~01 C //Co 2. 4- .- - -4 -1. -2-- 1-012 0.61- Y 6 T-IME 02 L- -1 C/Co 0.4- 0 FIG. 6B. Concentration profiles 'in t he -transverse direction at various times, with transverse dispersion (solid line, 2-D transport) and without transverse dispersion (dashed line, 1-D transport), at x=6. O.E 0.1G C/"" 27 X - 6 TIME - 0.04 1.01 0.8 06- C/Co 0.4- first 0.2 third -2 -1 0 X 6 TIlvE 0.15 1.01 C/Co 0.C I 1 2 -2 -1 0 X 6 TIME - 0.08 1.0 C/Co first third -2 -1 Y X -6 TIME - 0.24 2 -2 -1 0 1 2 FIG. 7. Concentration profiles in the transverse direction at x=6 for various times, using a first- and third-type boundary condition. transport, the profile obtained with the flux boundary lies below the profile obtained with the concentration boundary condition. At the initial stage, a mass balance error is involved in the use of the first-type boundary condition at the inlet. This error is considered to be minor, except for systems with a small length in the longitudinal direction during the inital stage of solute displacement. Transverse dispersion also has an impact on the longitudinal concentration profile because it tends to annihilate concentration gradients orthogonal to the direction of flow. Figure 8 shows concentration profiles in the direction of flow as determined by the 1- 28 and 2-D transport equation. The results imply that application of the l-D ADE to determine longitudinal dispersion coefficients in a (heterogeneous) medium with, for whatever reason, concentration gradients in the transverse direction, leads to erroneous values for D Also included is the front, which would occur if DT=0 (l-D U T transport). Longitudinal dispersion causes the front to spread symmetrically around the step front in the direction of flow. Lateral dispersion causes the front to deviate from symmetry in this direction. Because of differences in D and v for both layers, no symmetry will T occur in the lateral direction. The next example concerns 2-D transport from a bounded surface area in a two-layer medium with an interface perpendicular to the direction of flow. The bottom part of the medium, layer II, consists of particles of a different size and shape resulting in a higher value for a than for layer I. A schematic of the problem is given in Figure 9, which also includes the mathematical conditions and the physical parameters. The problem is symmetrical about y=O. To evaluate how transverse dispersion causes a contaminant to deviate from the advective flow path, the path being determined by the location of the point source and the flow field, solute transport was simulated for two different values of a T for the bottom layer. To illustrate the transverse dispersion, the longitudinal dispersion was assumed to be identical for both layers. 29 Y -1 TIME -0.04 1.0, S0.6- 0.2+ 0 y =--l TIME =0.08 Y 1 TME00 2 4 Y - 1 1IML -0.08 0.4- 0.2- 0.0- 02 Y 1 TIME 0.12 1.0 0.8- 0 0.6- ) 0.4- 0.2-- 0.01- 0 2 6 n.8 0- 0 x y -1 TIME - 0.16 0O81 < 1 1iv1~ 0.1) K Y 1 TIME 4 0.16 00.6- 0.~4- 0.2- 0.0- 0 24 0 C-) 0- 6 NN N. 2 4 6 FIG.8. Concentration profiles in the longitudinal direction in layers I and II at IyI=1 for various times, with transverse dispersion (solid line) and without transverse dispersion (dashed line). 0 C-) C) (-) 0 C-) C-) UJ 'l I 30 -30 v =5cm/hr iI{ctw2cm aTm 1 or 0.2 cm 0 V=277 ... ... ... .. ... .. ... .. . .. .. . .. ... ... ... ..... .. .... ... .. . .. ................... ....................... ..................... ............ .......... ........ .. .. ....... .......... ................. ........ ....... .......... ............. ... ..... ...... .. .. ... .. ... . ... .- . .. . .... . . ............... ... .. ... ... .. . .. ................... ... .. .. ... .. ' ' ' , . .. .. . .. ... .. .. ............ . ... ... . ... ... .. ...... .... .. .... .. . ............ ........ ............... ...... .. ......... ......... ........ ..... .. .... .. . ...................... ............. . ....... ............... ...................... .. . . . . . . . . . .. . . . . . . . . . . . . . . . .. . . . . . . . . . . . . . . . . . . . . . . . . . . . ..... ...... '.3 0 ............ . ... ........... ............. .. .. ...... .... ... . ...... .................. .................................... .......... .......................................... ............................ ....... ...... ............................... ......... .... .................... ...... . . . . . . . . . . .... .......................... ... ................... ... . .. ................................. .... ........... .. ... .......... ................. ..... _.......... J co cp0 0~ Q 0 6:1 x I . 0 Z Co fziio OpV 30 Iv =5cm/hr a w 1 2cm OLT= 0.2 cm 0=0) 86Yy AX = 10 Ay = 2.5 At = 1.25 C (x,,)=0 0< x<60 -30 < y< 30 c(09yo) { 0I0yI>3.75t C 0 IyI< 3.7510 FIG.9. Physical and mathematical characteristics of transport in a two- layer medium with flow perpendicular to the interface. Lines of equal dimensionless concentration C/C0 for various ti mes 600 are shown in figure 10A for equal a~ -values for both layers a nd in T figure lOB for an a T-value that is 5 times greater for the bottom than the top half of the profile. The shape of the plume in figure 10B differs from the one in figure 10A once the front reaches the bottom 31 FIG.10A. Lines (aT I = (aT IIF of equal concentration, C/Co, 80 .40 Xj .20 .05 at various times with steady-state y - 0 2 cm S1 cm .on, '- FIG.10B. Lines of equal concentration, (T I (aT II' C/C, o at various times with t = 2.5 t = 10 32 layer. The plume is restricted to a small area, with relatively high concentrations, in figure 10A, whereas figure 10B shows that, because of the increase in aT, the plume spreads out over a larger area in layer II with relatively low concentrations. Eventhe concentrations in the top layer are influenced by the degree of spreading in the bottom layer. This is also shown in. figure 11, which shows the longitudinal profile for various values of y and t. Breakthrough curves at various positions are presented in figure 12. An increase in transverse dispersion (x>30) lowers the maximum concentration of the solute (e.g., x=60 and y=O), but increases the area where the solute will occur (e.g., x=60 and y=10). The interpretation of these results depends on the type of contaminant. If low levels of solute are acceptable, increased transverse dispersion is favorable in contrast with substances which already pose a threat at low concentrations and need to be removed. The last example, illustrated in Fig. 13, deals with 2-D transport from the surface in an isotropic medium. At depth d, drainage pipes with spacing 1 are present to collect the contaminant to prevent it from reaching an underlying aquifer. A likely approach to do so is to optimize l/d and the flow regime. However, this is beyond the scope of this analysis, which merely concerns the effect of transverse dispersion. 33 Y 0 TIMI - c 1 0.4- o00.6-- ()0.4-- 0.2-- 0.01- 0 layer 11 20 40 0.2t 60 0 T IME 10 lay r lye 1 20406 Y-0 Steady state 0N U)0.4t 0.21 layer I layer 1 U-UL 0 20 40 60 x 0 Y 10 Steady state 1.0-- 0.8-- 0.6-- 0.4-- layer I layer 11 0. 20 40 60 x Y 5 Steady state .) layer Ilayer 11 0.0 I- 0 20 40 60 FIG.11. Concentr'ation profiles in various values of y and t. __T_ 0. 2 cm r :0. 2cm I 1: 1.0 cm the longitudinal direction for 34 X30 y =. 0 1.0. 0.8- o00.6-, 0.4-- 0.21 0 10 20 TIME -A0.0- 30 0 X60 Y=5 10 20 TIME X 60. Y 0 0,7 O 17 10 X60 Y=i10 20 TIME TIME -sm0. 2 CM --------- T :0.2 cm 11:1 .0 cm FIG. 12. Breakthrough curves- at various positions during transport in a two-layer medium with the interface perpendicular to the direction of flow. 0 1 0 T 0.8} 30 0 0.61 0.4- 0.2- 0.0 0 30 ell I 35 l v y = -10 cm/d v.Jx C =0. v y -77................ . ............... . ...... ........ ... ........ ...... ................ ...... ........ .. . .... .......... ........ ...... . .. ... ........... .. ...... .. ...... .................. . . ... .......... . ................... .. ........ ... ............ ............. ...... ............. ..... ............... .... ............ ...... ........ ...... ............ .. ... ................... .. ......... ...... .................. .......... .. .. ..... .... ..... .. .. ...... .......... ............ . .... .. ........ A- C:l 0 Head =0 5 Flow Vy (X,O) =0 0< X< 5 Vx(Oy)zyx(5Y)O0 O< Y<1I1 Hydraulic conductvly{ 1: 100 cm/d 0 =0.40 Transport C (X,1ot) 1 0< X <5 C (X,Y,) 0 0 < X<5 a 1 L = 10cm (XT = 1 or 5cm 2 Do =D Ilcm /d xx yy FIG. 13. Characteristics of the f low and transport problem from the soil. surface to a drain. ............................. ........... . .......................... .............. ............. .......... ............... .......... ................... .............. .............. ............................ ......... .... ............... ........ .... . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .. . . . . . . . . . . . .. . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .. . . . . . . . . . . . . . .. . . . . . . . . . . . . . . . . . . . . . . . . . . .. . . . . . . . . . . . . . tain.. ........... .. ..... ........ ............. ........ ...... ............ ....... ............................. ............ .......... ... .. . .. ... .. . , . ............. ..................... .................... .. .. .. ... ... . ... ... ................ ..................... ............. .. . .................... .......................................... . .. . ... .. . ...... ............. .......................................... ........................................ .......................... ........................................... ............................ .......................... ...... .............. ............ ....... ................................ . .... .. .... ..... .. ........... ....... . . .. ........ ......... ....... . .. ............ . . .............. Cb ol 0 M5 x t> 0 0 O TOTAL SOLUTE CONCENTRATION INITIAL CONCENTRATION LONGITUDINAL DISPERSION COEFFICIENT TRANSVERSE DISPERSION COEFFICIENT PORE WATER VELOCITY INCREMENT IN X-DIRECTION INCREMENT IN Y-DIRECTION INCREMENT IN TIME MAXIMUM TIME FOR ANALYTICAL SOLUTION L2/T L2/T L/T L L T T C C C C C C C C C C C C C C C C C C C C YPOS(1)=-0.5*(NUMY-1)*DELY DO 20 K=2,NUMY 44 PRINT, I****A**A****AAA******AA*******A*************' PRINT, ' ANLOTR * PRINT,'* *1 PRINT,'* ANALYTICAL SOLUTION OF THE ADVECTION-DISPERSION ' PRINT,'* EQUATION FOR 2-D TRANSPORT IN A SEMI-INFINITE * PRINT,'* MEDIUM WITH A STEP INPUT FUNCTION AND A 1-ST TYPE PRINT,'* BOUNDARY CONPITICN AT THE INLET PRINT, * PRINT, ***************************** ****************** INITIALIZE COORDINATE SYSTEM XPOS(1)=0.0 DO 10 I=2,NUMX XPOS(I)=XPOS(I-1)+DELX 10 CONTINUE YPOS(K)=YPOS(K-1 )+DELY 20 CONTINUE c C INITIALIZE POSITION DEPENDENT AND TIME INDEPENDENS VARIABLE C DO 40 I1,NUMX c(I)=vELO*xPOS(I )/DL 40 CONTINUE C TIME=DELTIM WHILE(TIME.LE.TIMMAX) DO C C INITIALIZE POSITION AND TIME DEPENDENT VARIABLES C DO 70 L1I,NUMX STU(I)=1.253314137*XPOS(I)/(UPR*(SQRT(DL*TIME))) B(I)=O.S*(XPOS(I)-VELO*TIME)/(SQRT(DL*TIME)) D(I)=0.5*(XPOS(I)+VELO*TIME)/(SQRT(DL*TIME)) 70 CONTINUE C C EVALUATE THE INTEGRAL C DO 100 K1I,NUMY DO 90 I=2,NUMX C TERM1O0.O DO 80 J=1,UP DUM=( (2*J- 1 )*1.570796327)/UPR ROOT(J)=C05(DUM) FACT(J)=SQRT(1 -ROOT(J) )/(ROOT(J)?1.) LOTERM(J)=SQRT(2*TIIIE*DL*(ROOT(J)+1.)) TRTERM(J)=SQRT(2. ATIME*DT*(ROOT(J)?1 )) HfELP(J)=0.5*TIME*VELO*(ROOT(J)+.)- ARG1=-((XPOS(I)-HELP(J))/LOTERM(J))**2 ARG2=YPOS (K) /TRTERM (J) TERM1=TERM1+O.5*STU(I)*FACT(J)*(CLEFT*EXF(ARG1,ARG2)+ $ CRIGHT*EXF (ARGI ,-ARG2)) 80 CONTINUE CON(I ,K)=TERMI+TERM2 90 CONTINUE 100 CONTINUE C C SUPER IMPOSE INLET CONDITIONS C 45 CON(1 ,K)=(CIN+CZERO)/2. ENDIF 105 CONTINUE C PRINT,' PRINT, 'TIME=' ,TIME c PRINT,' PRINT,' X-COORDINATES' PRINT,' PRINT 113,' ' ,(XPOS(I),I=1l1l) 113 FORMAT(' ',A8,11F8.3) PRINT 113,' ',(XPOS(I),I=12,NUMX) c PRINT,' DO 120 K=1,NUMY PRINT 112,YPOS(K),(CON(I,K),I=l,1l) 112 FORMAT(' 1,12F8.3) PRINT 114,' ',(CON(I,K),I=12,NUMX) 114 FORMAT(' 1,A8,10F8.3) 120 CONTINUE c TIME=TIME+DELTIM ENDWHILE c STOP END c REAL FUNCTION EXF(Q,Z) C REAL LOEF,Q,Z,T,STUP1 ,STUP2,XX,YY,QQ,BOUND/100./ C EXFO0.O STUP1=ABS (Q) QQ=QZ*7 STUP2=ABS (gQ) C IF,(STUPI.GT.BOUND .AND. Z.LE.O.O) GO TO 40 IF(Z.NE.O.) GO TO 31 IF(Q.LE.-BOUND) THEN LOEF=O. ELSE LOEF=EXP (Q) ENDIF EXFLOE 46 YY=T*(.2548296-T*(.2844967-T*(1.4214l4- $ T*(1.453l52-1.O614O5*T)))) GO TO 33 32 YY=O.564l8958/(XX+.5/(XX+.1/(XX+1.5/(XX+2./ $ (XX+2.5/(XX+I.)))))) 33 IF(QQ.LE.-BOUND) THEN LOEFO0. ELSE LOEF=EXP (QQ) ENDIF EXF=YY*LOEF C 34 IF(Q.LE. -BOUND)THEN LOEF=O. ELSE LOEF=EXP (9) ENDIF IF(Z.LT.O.) EXF=2.*LOEF-EXF C 40 CONTINUE C RETURN END / GO 47 SSTR //SSTR JOB (AYL59FL,124),'FEIKE LEIJ',MSGCLASSP, // NOTIFY=AYL59FL,MSGLEVEL=(I1 ,1),REGION=1024K,TIME=(1,59) /*ROUTE PRINT RMT4 /*JOBPARM LINES=10 //STEP1 EXEC WATFIV //WATFIV.SYSIN DD * /JOB FEIKE,TIME=(5),PAGES=60 C INTEGER I,J,K,NUMX/11/,NUMY/49/,UP REAL CIN/O.0/,CON(1l,49),CZERO/1.0/,DT/5./ REAL xPOs(11),YPOS(49),VELO/50./,ARG(11,49) REAL DELX/5./,DELY/0.5/,NO/0.0/ C C VARIABLES C NUMX : NUMBER OF NODES IN X-DIRECTION C NUMY NUMBER OF NODES IN Y-DIRECTION C CIN INITIAL CONCENTRATION C CZERO TOTAL CONCENTRATION C VELO PORE WATER VELOCITY L/T C DT TRANSVERSE DISPERSION COEFFICIENT L2/T C DELX SPACE STEP IN X-DIRECTION L C DELY SPACE STEP IN Y-DIRECTION L C PRINT, *************************************** PRINT,'* S S TR PRINT,'* PRINT,'* ANALYTICAL SOLUTION OF THE ADVECTION-DISPERSION' PRINT,'* EQUATION FOR 2-D TRANSPORT IN A SEMI-INFINITE PRINT,'* MEDIUM WITH A STEP INPUT FUNCTION AND A 1-ST TYPE * PRINT,'* BOUNDARY CONDITION AT THE INLET, LONGITUDINAL * PRINT,'* DISPERSION IS IGNORED.STEADY-STATE APPROXIMATION * PRINT,'* PRINT, ***************************************************I C C INITIALIZE COORDINATE SYSTEM c XPOS(1)=0.0 DO 10 I=2,NUMX XPOS(I)=XPOS(I-1)+DELX 10 CONTINUE c YPOS(1)=-0.5*(NJMY-I)*DELY DO 20 K=2,NUMY YPOS(K)=YPOS(K-I)+DELY 20 CONTINUE C DO 100 K=1,NUMY DO 90 I=2,NUMX ARG(I ,K)=0.5*YPOS(K)/(SQRT( (DT*XPOS(I) )/VELO)) CON(I,K)=0.5*CZERO*EXF(NO,ARG(I,K))+0.5*CIN*EXF(NO,-ARG(I,K)) 90 CONTINUE 48 100 CONTINUE C C SUPER IMPOSE INLET CONDITIONS C DO 105 K=1,'NUMY IF (YPoS(K).LT.-O.00oo1) THEN CON(1 ,K)=CZERO ELSE IF (YPOS(K).GT.o.001) THEN CON(1,K)=CIN ELSE CON(1 ,K)=(CIN+CZERO)/2. ENDIF 10$ CONTINUE C PRINT,' PRINT,' -X-COORDINATES' PRINT,'I PRINT 113,' ',(XPOS(I),I=1,NUMX) 113 FORMAT(' ',A8,11F8.3) C PRINT,.' DO 120 K=1,NUMY PRINT 112,YPOS(K),(CON(I,K),I=1,NUMX) 112 FORMAT(' ',12F8.3) 120 CONTINUE C C STOP' END C REAL FUNCTION EXF(Q,Z) C REAL LOEF,,Q,Z,T,ST'UPI ,STUP2,XX,YY,QQ,BOUND/100./ C EXF=O. 0 STUP1=ABS (Q) QQ9Q-Z*Z. STUP2=ABS (QQ) C IF (STUP1.GT.BOUND .AND. Z.LE.O.O) GO TO 40 IF(Z.NE.O.) GO TO 31 IF(Q.LE.-BOUND) THEN LOEF=O. ELSE LOEF=EXP (Q) 49 IF (XX .GT. 3.0) GO TO 32 Thi.01(1 .O+O.3275911*XX) YY=T*(.2548296-T*(.2844967-T*(1.4214l4- $ T*(1.453152.-1.061405*T)))) GO TO 33 32 YYO0.56418958/(XX+.5/(XX+.1/(XX+l.5/(XX+2./ $ (XX+2.5/(XX+i..)))))) 33 IF(QQ.LE. -BOUND) THEN LOEF=O. ELSE LOEF=EXP (QQ) ENDIF EXF=YY*LOE F C 34 IF(Q.LE. -BOUND)THEN LOEF=O. ELSE LOEF=EXP (Q) ENDIF IF(Z.LT.0.) EXF=2.*LOEF-EXF C 40 CONTINUE c RETURN END /GO 50