Reactive dynamics on two-dimensional supports: Monte Carlo simulations andmean-field theory - art. no. 066126

Monte Carlo simulations and mean-field models are used for the study of non equilibrium reactions taking place on the surface of a catalyst. The model represents the catalytic reduction of NO with H-2 On a Pt surface. Both Mon te Carlo simulations and mean-field results predict the existence of a crit ical surface in the parameter space where the catalyst remains active for l ong times. Outside this critical region the catalyst remains active for fin ite times only. A discrete version of the mean-field model is proposed that takes into account the discrete, two-dimensional nature of the catalyst. F or homogeneous initial conditions this improved model provides better quant itative agreement with the Monte Carlo results.