MODELING OF PHENOMENA WITHIN CATALYST PARTICLES

There are strong economic forces that demand rational methods for the development of new catalysts. A basis far the solution of this problem are appropriate models of the phenomena within catalyst supports, aug mented with a wide variety of experimental methods. This paper deals w ith models of the porous structures of catalyst supports, multi-compon ent diffusion, chemisorption, reaction, desorption and deactivation. M athematical methods of quantum chemistry and statistical physics will be briefly described. The powerfulness of modern modeling approaches w ill especially be demonstrated with zeolites.