Simulation and experiment of multicomponent diffusion and reaction in three-dimensional networks

A random three-dimensional pore network of interconnected pores was-taken a s a model of the porous structure of catalyst supports. Multicomponent Knud sen, molecular and surface diffusion were modelled according to the dusty g as model. In contrast to most previous publications, the present network mo del can be applied to any common reaction kinetics. This becomes quite inev itable in order to make three-dimensional network models applicable to prac tical problems in industry. To solve the model equations a globally converg ent solver for nonlinear equations is introduced which may be transfered to many other problems in chemical engineering. The computations are compared with measurements in a single-pellet diffusion reactor. It turned out that surface diffusion may contribute significantly to the fluxes in a catalyst support. (C) 1999 Elsevier Science Ltd. All rights reserved.