Simulative Model and Method of Dynamics Equations Controlling Surface Reaction

Abstract

Abstract: We introduce a new model about the surface catalytic reaction, namely simulative model and method of dynamics equations controlling surface reaction.In this model, the surface reaction is dominated by dynamics equations that are gained from the law of mass action.The surface reaction is performed in the grid simulation reactor.This simulation model and method are tested by a typical surface catalysis reaction i.e. CO surface-catalytic oxidation.The simulative results are in agreement with those of the experiments.The model is simple and clear because the dynamics equations have no experiential parameter.The model can be generalized to complicated surface-catalytic reactions.

Key words: Surface-catalytic reaction, Monte Carlo, Dynamic simulation

CLC Number:

O643

TrendMD:

ZHANG Wen-Xia, CAI Mei-Chao, TIAN Feng-Hui, WANG Ze-Xin. Simulative Model and Method of Dynamics Equations Controlling Surface Reaction[J]. Chem. J. Chinese Universities, 2003, 24(10): 1852.

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Simulative Model and Method of Dynamics Equations Controlling Surface Reaction

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