TRANSIENT ORDERED STATES IN A MODEL REACTION ON A SURFACE WITH ACTIVE SITES

J. J. Luque (), V. Maestro, A. Lózar and A. Córdoba
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J. J. Luque: Departamento de Física de la Materia Condensada, Universidad de Sevilla, Apartado 1065, Sevilla 41080, Spain
V. Maestro: Departamento de Física de la Materia Condensada, Universidad de Sevilla, Apartado 1065, Sevilla 41080, Spain
A. Lózar: Departamento de Física de la Materia Condensada, Universidad de Sevilla, Apartado 1065, Sevilla 41080, Spain
A. Córdoba: Departamento de Física de la Materia Condensada, Universidad de Sevilla, Apartado 1065, Sevilla 41080, Spain

International Journal of Modern Physics C (IJMPC), 2003, vol. 14, issue 02, 159-167

Abstract: A model for the monomer–monomer surface reaction of the typeA + B → AB, with diffusion ofAandBmonomers on a surface and reaction only on active sites randomly distributed on the surface, has been proposed and studied. For a critical point where both adsorption probabilities are the same, a seemingly reactive steady state transforms itself into a poisoned state. In this transient state, the production ofABmolecules, in relation to the density of active sites, is considered and an inert-reactive irreversible phase transition is observed. The critical values of the density of active sites, where the irreversible phase transition occurs, is obtained in the limitL → ∞by means of a finite-size scaling analysis. The critical exponents that dominate the correlation length of clusters, as well as the production ofABmolecules at criticality, are determined.

Keywords: Monte Carlo simulation; models of surface chemical reactions; irreversible phase transition (search for similar items in EconPapers)
Date: 2003
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DOI: 10.1142/S0129183103004358

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