Monte Carlo model of oscillatory CO oxidation having regard to the change of catalytic properties due to the adsorbate-induced Pt(1 0 0) structural transformation

Abstract

The statistical lattice model has been constructed for the oscillatory (CO+O 2)/Pt(1 0 0) reaction. The model takes into account the change of surface properties due to the adsorbate-induced reversible surface transformation hex↔1×1. The Monte Carlo simulations reproduce the hysteresis and the synchronous oscillations of reaction rate, O ads and CO ads coverages and hex and 1×1 surface phases under the conditions close to the experimental ones. Self-oscillations of the reaction rate are accompanied by autowave processes on the model platinum surface. The existence of the reaction zone between the moving adsorbate islands has been shown.