The problems of heterogeneous catalysis are considered using mathematical m
odeling of catalytic reactions beginning from the atomic and molecular leve
l. Some problems of the nonlinear dynamics of heterogeneous catalytic react
ions are discussed. Mathematical models of these systems were designed usin
g a combination of laboratory and computer experiments. The results of simu
lation of the nonlinear phenomena involved in the reactions NO + CO, NO + H
-2, and CO + O-2, which are important for environmental catalysis, are disc
ussed.