Kinetic theory of reactive pair dynamics in liquids

Publication Type:

Journal Article

Authors:

Source:

The Journal of Chemical Physics, Volume 69, Number 8, p.3685-3696 (1978)

URL:

https://www.scopus.com/inward/record.uri?eid=2-s2.0-0012187227&doi=10.1063%2f1.437030&partnerID=40&md5=52ff99125b11f2a1a9277f6d613e8c10

Abstract:

The kinetic theory of chemical reactions in dense fluids is extended to calculate the dynamics of a reactive pair of particles. Given an initial pair distribution, the probability that the pair of particles will remain unreacted is calculated. Explicit solutions are obtained by taking into account repeated ring events and the results are shown to be a generalization of Fick's law calculations for this problem. Other classes of dynamical events which lead to a coupling of the diffusive motion of the pair are examined in a more formal way and their physical significance is discussed. The applicability of the theory to the analysis of recombination reactions in liquids is discussed. © 1978 American Institute of Physics.