甲烷与氧和氯反应的对比研究  

Comparative Study of the Reactions of Methane with Oxygen and Chlorine

作　　者：吕广申[1] 高峰[1] 

机构地区：[1]商丘师范学院物理与信息工程系,河南商丘476000

出　　处：《洛阳理工学院学报（自然科学版）》2011年第2期24-28,共5页Journal of Luoyang Institute of Science and Technology：Natural Science Edition

摘　　要：运用准经典轨道线法,在扩展的LEPS势能面(London Eyring Polanyi Sato)上对CH4+O和CH4+Cl反应的立体动力学矢量相关性质进行了对比研究,理论计算了广义极化微分反应截面(2π/σ)(dσ00/dωt)、k-j′两矢量相关的p(θr)分布和k-k′-j′三矢量相关的p(φr)分布以及表示产物转动角动量空间分布的p(θr,φr)。计算结果与有关实验及理论符合,很好地描绘了该类反应的产物分布特点。The comparative study of the stereodynamics vector correlations has been carried out on the extended London Eyring Polanyi Sato （LEPS） potential energy surface with the quasiclassical trajectory method.The generalized polarization-dependent differential cross-sections （2π/σ）（dσ00/dωt ）, the distribution P（θr ） of correlated two vectors k-j＇, the distribution P（Фr） of correlated three vectors k - k＇-j＇, and the distribution p（θr ,Фr） of product rotational angular momentum have been calculated theoretically. The calculated results are in good agreement with experiments and tlneory, thus the characters of the product distribution for these reactions are well described.

关 键 词：矢量相关 立体动力学 准经典轨线法 

分 类 号：O643.12[理学—物理化学]