The classical reactive Boltzmann equation: A derivation in the framework of a stochastic approach to bimolecular reactions

Wolfgang Naumann

Physica A: Statistical Mechanics and its Applications, 1985, vol. 132, issue 2, 339-356

Abstract: Starting from a classical Liouville equation modified by sink terms, Boltzmann-type equations and a rate constant expression are derived for bimolecular chemical reactions. The treatment uses the stochastic approach proposed by Teramoto and Shigesada which takes the reaction as a stationary Markov process with the numbers of reactants in the system as the only stochastic variables. The obtained equations are compared with the well-known classical reactive Boltzmann equations postulated for calculating non-equilibrium effects in gas-phase reactions. It is shown that these equations are tightly connected with the deterministic behaviour of many-particle systems, which is also the supposition of the existence of reaction order.

Date: 1985
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Persistent link: https://EconPapers.repec.org/RePEc:eee:phsmap:v:132:y:1985:i:2:p:339-356

DOI: 10.1016/0378-4371(85)90015-9

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