Abstract:

Using Monte Carlo (MC) method, we simulate two possible mechanisms of N2O decomposition reaction on a catalyst. One of them is in good agreement with the experiment. On the other hand, we also investigate the nature of the reaction rate oscillation in N2O decomposition. The results show that besides simulating mechanisms of surface reactions, MC method can also be an effective tool to investigate the kinetic behavior of complex reactions.

Key words: Monte carlo method, N₂O decomposition, Oscillation reaction