Nonequilibrium effects on the rate of bimolecular chemical reaction in a dilute gas

被引:11
作者
Cukrowski, AS
Fritzsche, S
Fort, J
机构
[1] Polish Acad Sci, Inst Phys Chem, PL-01224 Warsaw, Poland
[2] Jan Kochanowski Univ Humanities & Sci, Inst Chem, Fac Math & Nat Sci, PL-25020 Kielce, Poland
[3] Univ Leipzig, Inst Theoret Phys, Fac Phys & Geosci, D-04109 Leipzig, Germany
[4] Univ Girona, Dept Fis, Girona 17071, Catalonia, Spain
关键词
D O I
10.1016/S0009-2614(01)00508-5
中图分类号
O64 [物理化学(理论化学)、化学物理学];
学科分类号
070304 ; 081704 ;
摘要
The perturbation solution of the Boltzmann equation in a dilute gas shows that the rate constant of chemical reaction A + A reversible arrow B + B is diminished due to nonequilibrium effects. For the line-of-centers model, the relative decrease eta of the reaction rate can reach even nearly 45% (for a small reduced threshold energy epsilon* and a large molar fraction chi (B)). For slow reactions this method is valid and eta does not depend on chi (B). The appropriate equilibrium expressions for reaction rate (with: (a) the temperature of the system T, (b) the nonequilibrium Shizgal-Karplus temperatures T(A) and T(B)) are used for this analysis. (C) 2001 Elsevier Science B.V. All rights reserved.
引用
收藏
页码:585 / 593
页数:9
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