Estimation of Kinetic Parameters for Chemical Reactions Based on Monte Carlo Simulation

Abstract

Abstract: Anew method for estimating kinetic parameters of chemical reactions was described.The method combines kinetic experiment data with Monte Carlo simulation result.According to the element reactions, the operating process of Monte Carlo simulation was determined at first, and then the least error between simulative results and experimental results was applied to auto adjust and optimize the kinetic parameters.Therefore, the kinetic parameters were estimated.The new method was applied to estimate kinetic parameters of propylene ammoxidation and the estimative results were analyzed and discussed.The research results show that the new method is feasible and effective without knowing kinetic equations in advance.

Key words: Chemical reaction, Kinetic experiment, Monte Carlo simulation, Parameters estimation, Kinetic propylene ammoxidation

CLC Number:

O641

TrendMD:

ZHAN Xiao-Li, LUO Zheng-Hong, CHEN Feng-Qiu, YANG Yong-Rong . Estimation of Kinetic Parameters for Chemical Reactions Based on Monte Carlo Simulation[J]. Chem. J. Chinese Universities, 2003, 24(8): 1511.

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Estimation of Kinetic Parameters for Chemical Reactions Based on Monte Carlo Simulation

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