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

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  • Naumann, Wolfgang

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.

Suggested Citation

  • Naumann, Wolfgang, 1985. "The classical reactive Boltzmann equation: A derivation in the framework of a stochastic approach to bimolecular reactions," Physica A: Statistical Mechanics and its Applications, Elsevier, vol. 132(2), pages 339-356.
    • Handle: RePEc:eee:phsmap:v:132:y:1985:i:2:p:339-356
    DOI: 10.1016/0378-4371(85)90015-9
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