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• W1994911221 abstract "The influence of catalyst geometry and topology on two model catalytic reactions, the hydrogenation of alkenes and the oxidation of carbon monoxide, has been studied by Monte Carlo simulation. We discuss the application of an efficient algorithm for simulating catalytic reactions in cases where diffusion of adsorbate molecules occurs on both the catalyst support and the metal particles. We first consider the influence of metal particle size and geometry on the kinetics of a series of hydrocarbon hydrogenation reactions and demonstrate that the reaction kinetics can be described by an extension of the ensemble theory. This result is in agreement with previous simulations of hydrocarbon hydrogenation reactions conducted without accounting for adsorbate surface diffusion. In the second part of the paper, we consider the extent to which the kinetics of reactions occurring on small metal particles are influenced by reactant adsorption on the support and reactant supply from the support. As an example, we discuss the kinetics of the CO oxidation reaction." @default.
• W1994911221 created "2016-06-24" @default.
• W1994911221 creator A5001780992 @default.
• W1994911221 date "1999-10-28" @default.
• W1994911221 modified "2023-09-30" @default.
• W1994911221 title "Monte Carlo simulations of heterogeneous catalytic reactions on highly dispersed supported metal catalysts" @default.
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• W1994911221 doi "https://doi.org/10.1016/s0920-5861(99)00122-4" @default.
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