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The critical behavior of dimer-dimer surface reaction models. Monte Carlo and finite-size scaling investigation

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Abstract

Two models based upon the well-known mechanism for the oxidation of hydrogen on transition metal surfaces, which may also apply to generic dimerdimer surface reaction processes of the type (1/2) A2+B2→B2A, are proposed and studied on the square lattice of sideL (L ⩽ 600) by means of Monte Carlo simulations and finite-size analysis. Both models exhibit irreversible (kinetic) phase transitions (IPT) from a reactive state with sustained production of B2A molecules to off-equilibrium surface poisoned states with the reactants, i.e., without production. The location of the critical points at which the IPTs take place in theL=∞ limit is determined by means of a finite-size scaling analysis. Also, it is shown that at criticality some relevant quantities, such as the rate of B2A production and the coverage with the reactants, exhibit simple power-law behavior, which allow us to determine the corresponding critical exponents.

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Authors and Affiliations

  1. Instituto de Investigaciones Fisicoquímicas Teóricas y Aplicadas, (INIFTA), Facultad de Ciencias Exactas, Universidad Nacional de La Plata, Suc. 4, C.C. 16, (1900), La Plata, Argentina

    Ezequiel V. Albano

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Albano, E.V. The critical behavior of dimer-dimer surface reaction models. Monte Carlo and finite-size scaling investigation. J Stat Phys 69, 643–666 (1992). https://doi.org/10.1007/BF01050429

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  • DOI: https://doi.org/10.1007/BF01050429

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