NUMERICAL STUDY OF THE FIRST ORDER IRREVERSIBLE PHASE TRANSITION IN THE ZIFF–GULARI–BARSHAD MODEL

Ezequiel V. Albano () and Roberto Monetti
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Ezequiel V. Albano: Instituto de Investigaciones Fisicoquímicas Teóricas y Aplicadas (INIFTA), CONICET, UNLP, Sucursal 4, Casilla de Correo 16 (1900), La Plata, Argentina
Roberto Monetti: Instituto de Investigaciones Fisicoquímicas Teóricas y Aplicadas (INIFTA), CONICET, UNLP, Sucursal 4, Casilla de Correo 16 (1900), La Plata, Argentina

Surface Review and Letters (SRL), 2003, vol. 10, issue 06, 867-878

Abstract: The Ziff–Gulari–Barshad model [ZGB;Phys. Rev. Lett.56, 2553 (1986)] is a lattice gas adsorption–reaction model that qualitatively reproduces some relevant features of the oxidation of carbon monoxide on single crystal surfaces. We study the first order irreversible critical behavior of this model by means of two different types of simulation techniques, namely constant coverage simulations and epidemic analysis. Constant coverage simulations allow us to investigate in detail hysteretic and finite size effects within the coexistence region. The position of the coexistence point is accurately determined by introducing a small perturbation into the constant coverage method. Extensive epidemic simulations reveal the absence of power law behavior in the dynamic behavior at coexistence, in contrast to previous claims.

Keywords: Heterogeneous catalysis; irreversible phase transitions; lattice gas reaction models (search for similar items in EconPapers)
Date: 2003
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DOI: 10.1142/S0218625X03005669

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