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Numerical modeling of three-dimensional contaminant migration from dissolution of multicomponent NAPL pools in saturated porous media

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Environmental Geology

Abstract

A three-dimensional model for contaminant transport resulting from the dissolution of multicomponent nonaqueous phase liquid (NAPL) pools in three-dimensional saturated subsurface formations is developed. The solution is obtained numerically by a finite-difference scheme, and it is suitable for homogeneous porous media with unidirectional interstitial velocity. Each dissolved component may undergo first-order decay and may sorb under local equilibrium conditions. It is also assumed that the dissolution process is mass transfer limited. The nonaqueous phase activity coefficients of the NAPL pool components are evaluated at each time step. The model behavior is illustrated through a synthetic example with a NAPL pool consisting of a mixture of TCA (1,1,2-trichloroethane) and TCE (trichloroethylene). The numerical solution presented in this work is in good agreement with a recently developed analytical solution for the special case of a single component NAPL pool. The results indicate the importance of accounting for the necessary changes in the organic phase activity which significantly affects the equilibrium aqueous solubility.

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Abbreviations

C :

liquid phase solute concentration (solute mass/liquid volume) (M L−3)

C s :

single component aqueous saturation concentration (solubility) (M L−3)

C w :

equilibrium aqueous solubility (M L−3)

D :

molecular diffusion coefficient (L2 t −1)

D e :

effective molecular diffusion coefficient (L2 t −1)

D x :

longitudinal hydrodynamic dispersion coefficient (L2 t −1)

D y :

lateral hydrodynamic dispersion coefficient (L2 t −1)

D z :

hydrodynamic dispersion coefficient in the vertical direction (L2 t −1)

I():

integer mode arithmetic operator

k :

local mass transfer coefficient (Lt −1)

k * :

average mass transfer coefficient (Lt −1)

L :

length

l x ,l y :

pool dimensions inx andy directions (L)

ll x ,l y :

x andy Cartesian coordinates of the pool origin (L)

M :

number of moles remaining in a pool (moles)

M′ :

initial number of moles (moles)

n :

finite-difference scheme time level

R :

retardation factor (dimensionless)

t :

time (t)

U x :

average interstitial velocity (Lt −1)

x, y, z :

spatial Cartesian coordinates (L)

X :

dimensionless mole fraction

γ :

dimensionless activity coefficient

η w :

viscosity of water (=0.8904 cp at 25°C)

λ :

decay coefficient (t −1)

τ * :

tortuosity (≥ 1)

i,j, k :

finite-difference scheme grid indicators

p :

component number indicator

P :

total number of components

s :

pure single component

o:

nonaqueous phase

w :

aqueous phase

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Authors and Affiliations

  1. Department of Civil and Environmental Engineering, University of California, 92717-2175, Irvine, California, USA

    K. Y. Lee & C. V. Chrysikopoulos

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  1. K. Y. Lee
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  2. C. V. Chrysikopoulos
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Lee, K.Y., Chrysikopoulos, C.V. Numerical modeling of three-dimensional contaminant migration from dissolution of multicomponent NAPL pools in saturated porous media. Geo 26, 157–165 (1995). https://doi.org/10.1007/BF00768737

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  • DOI: https://doi.org/10.1007/BF00768737

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