Impulsive stochastic models of molecular relaxation and isomerization reactions
- 1 November 1980
- journal article
- Published by AIP Publishing in The Journal of Chemical Physics
- Vol. 73 (9) , 4314-4320
- https://doi.org/10.1063/1.440713
Abstract
We discuss several aspects of the problem of modeling the effect of collisions on isomerization reactions. We show how to generate stochastic dynamics for systems which suffer more than one type of collision, and derive the appropriate master equation for the phase space distribution function. We discuss a variety of different collision models and sketch how one might deduce the form and parameters of the model from experiment and molecular dynamics. Finally, we examine a one-dimensional model of an isomerization reaction in the presence of two types of collisions, finding that the reaction rate varies nonlinearly with the various collision rates.Keywords
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