EFFECTS OF FINITE REACTION RATES ON THE KINETIC PHASE TRANSITIONS IN THE CATALYTIC OXIDATION OF CARBON MONOXIDE

L. D. López-Carreño ()
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L. D. López-Carreño: Grupo de Fìsica de la Materia Condensada, Departamento de Fìsica, Universidad Nacional de Colombia, Bogotá, Colombia

Surface Review and Letters (SRL), 2002, vol. 09, issue 05n06, 1735-1739

Abstract: Oxidation of carbon monoxide is one of the most extensively studied heterogeneous catalysis reactions, being important among other applications in automobile-emission control. Catalytic oxidation of carbon monoxide on platinum (111) surface was simulated by the Monte Carlo technique following an extended version of the model proposed by Ziff, Gulari and Barshad (ZGB). In the simulation, a simple square two-dimensional lattice of active sites replaces the surface of the catalyst. Finite reaction rates for (i) diffusion of the reactive species on the surface, (ii) reaction of a CO molecule with an oxygen atom in a nearest neighbor site, and (iii) desorption of unreacted CO molecules, have been taken into account. The producedCO2desorbs instantly. The average coverage of O, CO and theCO2production rate for a steady state configuration, as a function of the normalized CO partial pressure(PCO), shows two kinetic phase transitions. In the ZGB model these transitions occur atPCO≈ 0.39andPCO≈ 0.53. For0.39

Date: 2002
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DOI: 10.1142/S0218625X02004311

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