The governing equations describing multiphase flow with multicomponent
solute transport may be cast in a number of forms. While mathematical
ly equivalent, the numerical models based on each formulation differ i
n flexibility and efficiency. The set-iterative compositional formulat
ion, a mathematical formulation that separates the solution of the pha
se-balance equations from the species balance is described herein. A m
athematical model based on this formulation describes the flow of two
mobile phases. Each phase may transport multiple chemical components.
Mass exchange between phases is expressed by a linear kinetic equation
. The numerical model based on the set-iterative compositional formula
tion is shown to model non-equilibrium phase partitioning, to provide
a flexible framework that may be applied to organic mixtures with diff
ering numbers of components and to yield a more efficient solution in
comparison with models arising from standard compositional formulation
s.