Analytical Equations of Contaminant Fate and Transport

5.5.7 Analytical Equations of Contaminant Fate and Transport

General equation of contaminant fate and transport in one dimension (e.g., along hori- zontal X axis), known as advection-dispersion equation, is as follows:

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where C = dissolved contaminant concentration (kg/m 3 , or mg/L)

t = time (day)

D x = hydrodynamic dispersion in x direction (m 2 /d)

R = retardation coefficient (dimensionless) x = distance from the source along X axis (m)

v x = linear groundwater velocity in X direction (m/d) Q s = general term for source or sink of contaminant, such as due to

biodegradation (kg/m 3 /d)

This term can also be expressed using the first rate degradation constant, λ (1/d), which gives the following:

C (5.38)

Eq. (5.37) does not have an explicit solution, and approximate solutions, based on simplifying assumptions, have been proposed by various authors. One of the most popular analytical solutions of the advection-dispersion equation is the Domenico (1987) solution. This is an approximate three-dimensional solution that describes the fate and transport of a decaying contaminant plume evolving from a fi- nite planar source. This solution was based on an approach previously published by Domenico and Robbins (1985) for modeling a nondecaying contaminant plume. Prior to this work, several authors presented exact solutions to the same or similar problems (Cleary and Ungs, 1978; Sagar, 1982; Wexler, 1992). However, these solutions are not closed form expressions since they involve numerical evaluation of a definite integral. This numerical integration step can be computationally demanding and can also intro- duce numerical errors (Srinivasan et al., 2007). The key advantage of the Domenico and Robbins (1985) approach is that it provides a closed-form solution without in- volving numerical integration procedures. Due to this computational advantage, the Domenico solution has been widely used in several public domain design tools, in- cluding the USEPA tools BIOCHLOR and BIOSCREEN (Newell et al. 1996; Aziz et al., 2000).

The analytical Domenico and Robbins (1985) solution for concentration of a semi- infinite contaminated parcel, which moves in a homogeneous aquifer with a one- dimensional velocity in the positive x direction away from the continuous finite source (Fig. 5.22), including three-dimensional dispersion, and no degradation, has the follow- ing form:

c(x, y, z, t) = erfc

2(D y x/v) 1/2

2(D y x/v) 1/2

z x/v) 1/2

2(D z x/v) 1/2

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F IGURE 5.22 Parallelepiped source in the Domenico-Robbins analytical solution of the one- dimensional contaminant transport with three-dimensional dispersion. (From Domenico and Robbins, 1985; copyright Groundwater Journal; printed with permission.)

where

c = the concentration in time t at the location with coordinates

x, y, z

c o = initial concentration at the source erf and erfc = error function and complimentary error function, respectively v = groundwater (advection) velocity in the direction of flow

(x direction)

D x ,D y , and D z = dispersion coefficients in x, y, and z directions (longitudinal, transverse, and vertical), respectively

X, Y, and Z = source dimensions (see Fig. 5.22)

In the 1987 solution, Domenico included a first-order decay term (k) leading to the following approximate equation for concentration of a decaying (degrading) contami- nant:

c(x, y, z, t) =

where α x = D x / v, α y = D y / v, and α z = D z / v are the dispersivities in the x, y, and z directions, respectively.

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Although the Domenico solution has been extensively used in the industry and sev- eral widely used analytical groundwater transport models are based on it, its approximate nature continues to be a subject of scientific debate. For example, West and Kueper (2004) compared the BIOCHLOR model against a more rigorous analytical solution and con- cluded that the Domenico solution can produce errors up to 50 percent. Guyonnet and Neville (2004) compared the Domenico solution against the Sagar (1982) solution and presented the results in a nondimensional form. They concluded that for groundwater flow regimes dominated by advection and mechanical dispersion, discrepancies between the two solutions can be considered negligible along the plume centerline. However, these errors may increase significantly outside the plume centerline. Based on a rigorous mathematical analysis, Srinivasan et al. (2007) conclude that the approximate Domenico solution can be expected to produce reasonable estimates for advection-dominated prob- lems; however, it can introduce significant errors for longitudinal dispersion-dominated problems. Within the advective front, the longitudinal dispersivity plays a very impor- tant role in determining the accuracy of the solution. The key assumption used to derive the Domenico solution is the time reinterpretation step, where the time t in the trans- verse dispersion terms is replaced with x/v. This substitution process is valid only when the longitudinal dispersivity is 0. For all nonzero longitudinal dispersivity values, the solution will have a finite error. The spatial distribution of this error is highly sensitive to the value of α x and the position of the advective front (vt) and is relatively less sensitive to other transport parameters. The authors conclude that the error in the Domenico solu- tion will be low when solving transport problems that have low longitudinal dispersivity values, high advection velocities, and large simulation times.

After their analysis of the approximate Domenico solution, West et al. (2007) conclude that its accuracy is highly variable and dependent on the selection of input parameters. For solute transport in a medium-grained sand aquifer, the Domenico (1987) solution underpredicts solute concentrations along the centerline of the plume by as much as 80 percent, depending on the case of interest. Increasing the dispersivity, time, or dimen- sionality of the system leads to increased error. Because more accurate exact analytical solutions exist, the authors suggest that the Domenico (1987) solution and its predecessor and successor approximate solutions need not be employed as the basis for screening tools at contaminated sites (West et al., 2007).

Karanovic et al. (2007) present an enhanced version of BIOSCREEN that supplements the Domenico (1987) solution with an exact analytical solution for the contaminant con- centration. The exact solution is derived for the same conceptual model as Domenico (1987) but without invoking approximations in its evaluation that introduce errors of un- known magnitude in the analysis. The exact analytical solution is integrated seamlessly within a modified interface BIOSCREEN-AT. The Excel user interface for BIOSCREEN- AT is nearly identical to that for BIOSCREEN, and a user familiar with BIOSCREEN will have no difficulty using BIOSCREEN-AT. BIOSCREEN-AT provides a simple and direct way to calculate an exact solution to the transport equation and, if desired, to assess the significance of the errors introduced by the Domenico (1987) solution for site-specific applications.

The analytical models of fate and transport can be used for simple screening-level analyses, since they assume simple planar geometry of the source zones and homoge- neous isotropic aquifers. Numeric models are irreplaceable for actual field problems where all parameters of groundwater flow, and contaminant fate and transport change in all three dimensions.

426 ChapterFive

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