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Monte Carlo simulation of a bimolecular reaction of the type A+(1/2)B 2 → AB — The influence of A-desorption on kinetic phase transitions

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Abstract

The model recently proposed by Ziff et al. [1] for reactions of the type A+(1/2)B 2 → AB is extended in order to study the effect of A-desorption on irreversible (kinetic) phase transitions (IPT). The IPT from a stationary state with AB-production to a B-poisoned state is not influenced by A-desorption. On the other hand, desorption of A-species prevents the existence of a truly A-poinsoned state. Therefore the IPT from the stationary regime to an A-poisoned state does not occur but an apparent phase transition is observed for small values of the desorption probability (P D). The rate of AB-production (R AB ) crosses over from a regime where it becomes dominated by the rate of A-adsorption, when the coverage with A-species is negligible to another regime where R AB is dominated by the rate of B 2-adsorption, when the coverage with B-species is negligible. Within the former regime, R AB decays exponentially with the mole fraction of A-molecules in the gas phase and exhibits a power law dependence with P D (exponent γ=2).

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Authors and Affiliations

  1. Instituto de Investigaciones Fisicoquímicas Teóricas y Aplicadas (INIFTA), Dto. de Química, Fac. Ciencias Exactas, Universidad Nacional de La Plata, Sucursal 4, Casilla de Correo 16, (1900), La Plata, Argentina

    E. V. Albano

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Albano, E.V. Monte Carlo simulation of a bimolecular reaction of the type A+(1/2)B 2 → AB — The influence of A-desorption on kinetic phase transitions. Appl. Phys. A 55, 226–230 (1992). https://doi.org/10.1007/BF00334228

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  • DOI: https://doi.org/10.1007/BF00334228

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