Pore-Scale Simulation of Interphase Multicomponent Mass Transfer for Subsurface Flow

A simulation framework is proposed to simulate multicomponent multiphase flow in porous media at the pore scale. It solves equations for the species concentrations in the framework of the volume-of-fluid approach including thermodynamics equilibrium at the fluid/fluid interface. Particular attention is paid to the derivation of the boundary condition for the concentration at the solid walls. The method is validated by comparison with analytical solutions of simple setups. Then, the approach is used to investigate and upscale mass transfer across interfaces in different configurations, including the drainage of water in a tube by a gas carrying a contaminant, mass transfer in thin films, and mass transfer in complex porous structures under various flow conditions.