Nonequilibrium Effects in a Bimolecular Chemical Reaction in a Dilute Gas
A.S. Cukrowskia, S. Fritzscheb and J. Popielawskia
aInstitute of Physical Chemistry, Polish Academy of Sciences, Kasprzaka 44/52, 01-224 Warszawa, Poland
bResearch Group Statistical Theory of Non-Equilibrium Processes, WIP, KAI e.V., Permoser Str. 15, O-7050 Leipzig, Germany
Received: April 15, 1993
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Perturbation solution of the Boltzmann equation for a dilute gas with a chemical reaction A + A → B + B is presented. Analytical results for the nonequilibrium effects on the rate of chemical reaction are obtained for the line-of-centers model. It is shown that taking into account the energy transfer from reagents A to products B permits to get new results. The nonequilibrium corrections obtained from these results are much larger than those obtained with neglecting this energy transfer. These results are verified by a comparison with the numerical results obtained from the modified Nanbu-Babovsky Monte Carlo computer simulations.
DOI: 10.12693/APhysPolA.84.369
PACS numbers: 82.20.-w, 82.20.Mj, 82.20.Wt, 82.30.Eh, 05.20.Dd