Simulation of molecular transport in pores and pore networks

Abstract

Previous work on the reformulation and refinement of the general theoretical treatment of the transport of simple gases in porous adsorbents in the Knudsen regime and the Henry-law adsorption region is reviewed and developed further by the use of model pores with realistic (‘structured pore wall’) adsorption potentials. Previous conclusions regarding the effects of gas adsorbability and temperature based on simplified (‘structureless pore wall’) adsorption potentials are confirmed and amplified; while the combined effect of gas adsorbability and molecular size is illustrated. The chief factors controlling the transport behaviour of pore networks with randomly varying pore width are noted and examples of their effect given.