Chapter 3. Model Implementation (Incorporating Equilibrium Reactions)


[TOC]	3.7 Incorporating Equilibrium Reactions	[Prev. Page]	[Next Page]

The inclusion of equilibrium reactions complicates the system of equations represented by equation (3.5). Concentrations at the beginning of the time interval satisfy equilibrium conditions by definition. After advection and dispersion and kinetic reactions, the model adjusts the concentrations to satisfy equilibrium. The equilibrium term in equation (3.5) is a function of initial concentration, change in concentration due to advection and dispersion, and change in concentration due to kinetic reaction. Equation (3.10) depicts the calculation of changes due to equilibrium reactions:

(3.10)

Where: DC_E = change in concentration array due to equilibrium reactions

D C_F = change in concentration array due to solute flux

D C_K = change in concentration array due to kinetic reactions

C_o = concentration array at beginning of timestep

A_j = stoichiometric array of the j^th equilibrium reaction

E_j = equilibrium function of the j^th equilibrium reaction

m = number of equilibrium reactions


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A Two Dimensional Numerical Model for Simulating the Movement and Biodegradation of Contaminants in a Saturated Aquifer © Copyright 1996, Jason E. Fabritz. All Rights Reserved.

Where:	DC_E = change in concentration array due to equilibrium reactions
	D C_F = change in concentration array due to solute flux
	D C_K = change in concentration array due to kinetic reactions
	C_o = concentration array at beginning of timestep
	A_j = stoichiometric array of the j^th equilibrium reaction
	E_j = equilibrium function of the j^th equilibrium reaction
	m = number of equilibrium reactions