Application of the Monte Carlo Method to Modeling Kinetic
Processes of Polyatomic Molecules and Clusters:
II. Kinetics of Unimolecular Reactions of Polyatomic Molecules

I. V. Zhil’tsova, I. S. Zaslonlko, and Yu. K. Karasevich

Semenov Institute of Chemical Physics, Russian Academy of Sciences, Moscow, 177977 Russia

Received April 20, 2000

Abstract—The method for statistical modeling of the kinetics of unimolecular decomposition of polyatomic
molecules based on the construction of nonequilibrium functions of the distribution over the energies of the
vibrational excitation of molecules is developed. The rate constants for the two-channel decomposition of a
model molecule depending on temperature and pressure are reported. The relaxation characteristics for the dis-
sociation of the model molecule are determined.


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