Mathematical modeling of heterogeneous catalytic reactions and processes

Abstract

The problems of heterogeneous catalysis are considered using mathematical modeling of catalytic reactions beginning from the atomic and molecular level. Some problems of the nonlinear dynamics of heterogeneous catalytic reactions are discussed. Mathematical models of these systems were designed using a combination of laboratory and computer experiments. The results of simulation of the nonlinear phenomena involved in the reactions NO+CO, NO+H2, and CO+O2, which are important for environmental catalysis, are discussed.