Abstract

Abstract Through kinetic Monte Carlo simulations of a catalytic reaction with a complex mechanism, such as the catalytic oxidation of methane, it is shown that the temporal evolution of the adsorbed phase to absorbent states is interpreted by an exponential decay of production. This semiempirical law, which has been used previously for systems with simple mechanisms, describes reactive and absorbent states and is in agreement with the results of the phase diagram. Substrates corresponding to square, hexagonal, and eight-coordination lattices are analyzed. In the first case it is shown that for most of the phase diagram the absorbent configuration of the adsorbed phase complies with the checkerboard structure found by Brosilow and Ziff in the case of a simple mechanism for the CO–NO reaction over a square lattice.

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