Monte Carlo model of oscillatory CO oxidation having regard to the change of catalytic properties due to the adsorbate-induced Pt(100) structural transformation

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 surfa ce properties due to the adsorbate-induced reversible surface transformatio n hex <->1 x 1. The Monte Carlo simulations reproduce the hysteresis and th e synchronous oscillations of reaction rate, O-ads and COads coverages and hex and 1 x 1 surface phases under the conditions close to the experimental ones. Self-oscillations of the reaction rate are accompanied by autowave p rocesses on the model platinum surface. The existence of the reaction zone between the moving adsorbate islands has been shown. (C) 2001 Elsevier Scie nce B,V, All rights reserved.