A computational model for the structure of porous materials employed in catalysis

Abstract

Abstract A computational model for the structure of porous materials such as those employed in catalysis is proposed. The void volume within the solid is considered to be composed of two major arrays of pores, centrally convergent and centrally divergent, respectively, interconnected at specified intervals within the arrays. The exact shape of these arrays is determined uniquely from the volume‐area distribution of the porous structure. The model is applied to computation of counterdiffusional flux through a porous solid as measured in a Wicke‐Kallenbach experiment. The effects of dead end pores and of mixing on the results are discussed, and comparison with experimental data reported for a particularly well‐defined system is given.