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  • 1
    Electronic Resource
    Electronic Resource
    Remarks on nonequilibrium contributions to the rate of chemical reaction in the Lorentz gas (1991)
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 95 (1991), S. 6192-6193 
    Details
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: The conception of nonequilibrium Shizgal–Karplus temperature is analyzed for a chemical reaction in three component Lorentz gas. The results for nonequilibrium contributions to the rate of chemical reaction obtained by this conception are similar to those obtained from perturbation method.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1063/1.461594
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  • 2
    Electronic Resource
    Electronic Resource
    A simplified theoretical analysis of nonequilibrium effects in bimolecular gas phase reactions (1992)
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 97 (1992), S. 9086-9093 
    Details
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: There can be significant differences between the rates of activated chemical reactions calculated as if the reactants and products were in states of mutual thermal equilibrium and the rates associated with concentration and species temperatures obtained from solutions of Boltzmann equations. The theory presented here is based on the assumption that the particle distribution functions can be represented by Boltzmann functions with time-dependent concentrations and species temperatures. This leads from the Boltzmann equations to a set of coupled nonlinear equations of change for the concentrations and temperatures. Solutions of these equations have been obtained and used to calculate the rates of reaction. Numerical results generated by this procedure are found to agree quite well with the outputs of Nanbu–Babovsky Monte Carlo simulations and with predictions based on quasistationary perturbative solutions of the Boltzmann equations.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1063/1.463335
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    Paper (German National Licenses)
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  • 3
    Electronic Resource
    Electronic Resource
    Nonequilibrium contributions to the rate of chemical reaction in the Lorentz gas: A comparison of perturbation and numerical solutions of the Boltzmann equation (1988)
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 89 (1988), S. 197-203 
    Details
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: The corrections to the equilibrium rate of the chemical reaction A+B→products are analyzed for the Lorentz gas composed of light particles A reacting with heavy particles B in the presence of heavy particles of a carrier gas C. Particles B and C are treated as a heat bath. The reaction is analyzed under conditions in which the products can be neglected. The model of reacting hard spheres (line-of-centers model) introduced by Present is used. Analysis is performed in two ways: (1) By obtaining analytical expressions following from the Chapman–Enskog perturbation solution of the Boltzmann equation generalized for gases reacting chemically. (2) By obtaining numerical results which follow from a numerical solution of a partial differential equation which can be derived from the Boltzmann equation for the reactive Lorentz gas. It is shown that for a specified region of system parameters both types of solution of the Boltzmann equation coincide. The comparison of both methods permits us to find out under which conditions the perturbation method of solution may be used.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1063/1.455504
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  • 4
    Electronic Resource
    Electronic Resource
    Nonequilibrium kinetics of the reaction H+Br2 in xenon within a Lorentz gas model (1990)
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 93 (1990), S. 2425-2430 
    Details
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: The reaction H+Br2→products in the carrier gas xenon is studied in the framework of the Lorentz gas model. The nonequilibrium velocity distribution function fH of the light component H is calculated from the Lorentz–Fokker–Planck equation. This permits the determination of the nonequilibrium temperature TH and the nonequilibrium rate coefficient k of this reaction. These kinetic quantities are numerically calculated and compared with various other approaches for solutions of the appropriate Boltzmann equation (Kostin method, Chapman–Enskog and Shizgal perturbation method, Keizer approximation).
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1063/1.459699
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    Paper (German National Licenses)
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