Numerical Simulation of the Generalized Maxwell-Stefan Model for Multicomponent Diffusion in Microporous Sorbents

The results of simulations of transient multicomponent surface diffusion in a microporous adsorbent are given for various conditions. The generalized Maxwell-Stefan theory was applied to describe the diffusion phenomena. The diffusion equations were solved numerically. The transient uptake of a binary mixture and the counterdiffusion of two sorbate species in a slab were simulated. Some striking phenomena of multicomponent diffusion are presented. The relation to the approximate solution obtained by the linearized theory of multicomponent mass transfer is discussed. The simulations are compared with various results found in the literature.