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Abstract

Diffusion and chemical reaction in a catalyst pore is simulated as a Monte Carlo process. In this analysis the average diffusion distance, calculated for a large number of wall collisions, and the reaction probability are computed as two independent statistical events. This formulation yields results that compare very well with the theoretical values, yet uses minimal computer time. Results reported include typical concentration profiles and effectiveness factors for first- and second-order isothermal reactions using the method described. These results show promise of extension to more complex systems where analytical solutions are not available.