Rate Equations of Structure-Sensitive Catalytic Reactions with Arbitrary Kinetics

Abstract

A general mathematical framework for the quantitative description of the cluster size dependence in heterogeneous catalytic reactions has been developed based on an analysis of the Gibbs energy of elementary reactions. The methodology was illustrated for a generic linear sequence of elementary reactions with three steps, a multi-step mechanism of ethanol oxidation comprising linear, nonlinear and quasi-equilibria steps and a network of parallel reactions in transformations of furfural.