Simulation Methods for the Kinetics of Catalytic Reactions

V. BUSTOS; R. UÑAC; G. ZGRABLICH (EXPOSITOR); F. ZAERA

Merida, Venezuela

Simposio; The Third San Luis Symposium on Surfaces, Interfaces and Catalysis; 2004

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Presentación oral The general importance for the use of simulation methods to syudy the kinetics of catalytic reactions is outlined. Then, a model for the model for the NO-CO catalytic reaction on Rh(111) is developed, incorporating new experimental finding, and Monte Carlo simulation is used to determine the behavior of the system leading to a reation window in the steady-state regime. The model is shown to achive a better agreement with experimental onservations compared to previus calculations.