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On the use temperature parameterized rate coefficients in the estimation of non-equilibrium reaction rates

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  • Shizgal, Bernie D.
  • Chikhaoui, Aziz

Abstract

The present paper considers a detailed analysis of the nonequilibrium effects for a model reactive system with the Chapman–Eskog (CE) solution of the Boltzmann equation as well as an explicit time dependent solution. The elastic cross sections employed are a hard sphere cross section and the Maxwell molecule cross section. Reactive cross sections which model reactions with and without activation energy are used. A detailed comparison is carried out with these solutions of the Boltzmann equation and the approximation introduced by Cukrowski and coworkers [J. Chem. Phys. 97 (1992) 9086; Chem. Phys. 89 (1992) 159; Physica A 188 (1992) 344; Chem. Phys. Lett. A 297 (1998) 402; Physica A 275 (2000) 134; Chem. Phys. Lett. 341 (2001) 585; Acta Phys. Polonica B 334 (2003) 3607.] based on the temperature of the reactive particles. We show that the Cukrowski approximation has limited applicability for the large class of reactive systems studied in this paper. The explicit time dependent solutions of the Boltzmann equation demonstrate that the CE approach is valid only for very slow reactions for which the corrections to the equilibrium rate coefficient are very small.

Suggested Citation

  • Shizgal, Bernie D. & Chikhaoui, Aziz, 2006. "On the use temperature parameterized rate coefficients in the estimation of non-equilibrium reaction rates," Physica A: Statistical Mechanics and its Applications, Elsevier, vol. 365(2), pages 317-332.
    • Handle: RePEc:eee:phsmap:v:365:y:2006:i:2:p:317-332
    DOI: 10.1016/j.physa.2005.10.005
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    Citations

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    Cited by:

    1. Silva, Adriano W. & Alves, Giselle M. & Marques, Wilson & Kremer, Gilberto M., 2009. "Enskog’s kinetic theory of dense gases for chemically reacting binary mixtures, II: Light scattering and sound propagation," Physica A: Statistical Mechanics and its Applications, Elsevier, vol. 388(4), pages 295-310.
    2. Silva, Adriano W. & Alves, Giselle M. & Kremer, Gilberto M., 2008. "Enskog’s kinetic theory of dense gases for chemically reacting binary mixtures. I. Reaction rate and viscosity coefficients," Physica A: Statistical Mechanics and its Applications, Elsevier, vol. 387(8), pages 1733-1749.
    3. Kremer, G.M., 2007. "Note on the relativistic reaction rate coefficient," Physica A: Statistical Mechanics and its Applications, Elsevier, vol. 380(C), pages 61-65.

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