Effect of potential shape on isomerization rate constants for the BGK model

Abstract

As a model for isomerization reactions in liquids, we consider the motion, in a one-dimensional bistable potential, of a particle which suffers BGK collisions. We investigate how the relaxation rate constant as a function of collision frequency depends upon the shape of the potential. We discuss our results in relation to recent high-pressure NMR experiments involving cyclohexane isomerization. For a potential with narrow wells and a wide barrier, we find qualitative agreement between theory and experiment.