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A Monte Carlo (MC) simulation is carried out of the catalytic oxidation of methane based on the pseudo-LangmuirHinshelwood (LH) mechanism proposed by Iglesia et al., that attempts to interpret the behavior of this reaction, which from experiments is assumed to be of the Mars-van Krevelen type. The results interpret reasonably some experimental findings (reaction order with respect to H 2 O, CH 4 , activity and structural sensitivity) if certain criteria based on the experiment and some laboratory data for the kinetic and thermodynamic parameters from the literature are considered.

Monte Carlo simulations of adsorption on heterogeneous surfaces with a random topography of surfaces sites J. Chem. Phys. 95, 7741 (1991); 10.1063/1.461347 Monte Carlo simulation of the kinetics of heterogeneous nucleationUsing the kinetic form of the Monte Carlo (Me) simulation method, a comparison has been made between the results that predict the phenomenological equations for adsorption kinetics and MC experiments in systems with and without lateral interactions on homogeneous and heterogeneous surfaces with random topography and varying degrees of surface heterogeneity. A very good correspondence exists between the theoretical results and those obtained from the MC experiments. 7672 J.

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