Modeling Heterogeneous Catalyzed Reactions in Porous Media

Developments in modeling heterogeneous catalytic processes are presented, in particular quantum chemical approaches for calculating reactions at the active center and the transition state theory. Additionally, multicomponent diffusion and adsorption inside the pores of catalyst supports are described paying particular attention to these phenomena inside zeolites. The final paragraph deals with the optimization of pore structures inside catalyst supports with regard to specified criteria.