ON THE CLASSICAL APPROACH OF MICROCANONICAL STATISTICAL-THEORY OF 3-ATOM REACTIONS GOVERNED BY LONG-RANGE FORCES

被引:15
作者
BONNET, L
RAYEZ, JC
机构
[1] UNIV BORDEAUX 1,PHYSICOCHIM THEOR LAB,URA 503,F-33405 TALENCE,FRANCE
[2] CNRS,F-33405 TALENCE,FRANCE
关键词
D O I
10.1016/0301-0104(95)00246-1
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
We present a new classical formulation for distributions of energy in the products of three-atom reactions governed by long-range forces, proceeding through long-lived complexes and studied under single collision conditions. Starting from Light and Nikitin's basic assumptions, we derive detailed flux formulas for translational, vibrational and rotational motions. This method is addressed in particular to those interested in the direct comparison of statistical predictions with quasi-classical trajectory (QCT) calculations. Two applications of this method are proposed as a test of its validity. The first is based on an inelastic model. The second, more realistic, concerns the exchange reactions of alkali-metal atoms with alkali-metal dimers which have been intensively studied. Agreement between our method and the QCT approach is very satisfactory.
引用
收藏
页码:203 / 214
页数:12
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