title: Reactive dynamics on two-dimensional supports: Monte Carlo simulations and mean-field theory.
abstract: Monte Carlo simulations and mean-field models are used for the study of nonequilibrium reactions taking place on the surface of a catalyst. The model represents the catalytic reduction of NO with H2 on a Pt surface. Both Monte Carlo simulations and mean-field results predict the existence of a critical surface in the parameter space where the catalyst remains active for long times. Outside this critical region the catalyst remains active for finite times only. A discrete version of the mean-field model is proposed that takes into account the discrete, two-dimensional nature of the catalyst. For homogeneous initial conditions this improved model provides better quantitative agreement with the Monte Carlo results.
authors: Institute of Physical Chemistry, National Research Center Demokritos, 15310 Athens, Greece.
authors: G
authors: G
authors: Kalosakas
authors: A
authors: A
authors: Provata