MONTE-CARLO AND CELLULAR-AUTOMATA MODELING OF CO OXIDATION ON A CATALYTIC SURFACE INCLUDING THE ELEY-RIDEAL STEP AND CO DIFFUSION

We present the results of cellular automaton and Monte Carlo simulatio ns for the case of CO oxidation on a catalytic surface with simultaneo us adsorption, reaction, and diffusion, including the Eley-Rideal step in the reaction mechanism. The results show that the carbon monoxide diffusion on the catalytic surface does not alter the qualitative natu re of phase transitions. Also for any given adsorption to diffusion ra tio the cellular automaton predicts slightly lower values of the phase transition point. The automaton has considerable speed advantage and corroborates the Monte Carlo simulation results.