Kinetic theory of chemical reactions in liquids. II. Spatial nonequilibrium effects for a reversible reaction

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Abstract:

The effects of particle diffusion on the rate coefficients of a bimolecular isomerization reaction occurring in a dense fluid medium are investigated by kinetic theory. Emphasis is placed on the spatial nonequilibrium effects which occur as a result of the slow diffusive motion in a liquid, and the structure of the chemical relaxation time and rate coefficients when both forward and reverse rate processes are treated consistently. Since the kinetic theory calculations are microscopic and do not rely on a diffusion equation approach, a more accurate representation of the short time evolution in such reacting systems is obtained. Competition effects which occur at higher densities of the reacting species are also studied. © 1978 American Institute of Physics.