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中国物理学会期刊

同位素取代和碰撞能对N(4S)+H2反应立体动力学性质的影响

CSTR: 32037.14.aps.61.223401

Influences of isotopic variant and collision energy on the stereodynamics of the N(4S)+H2 reactive system

CSTR: 32037.14.aps.61.223401
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  • 基于Poveda 等计算得到的DMBE势能面, 运用准经典轨线的方法研究了同位素取代和碰撞能对N(4S)+H2反应的立体动力学性质的影响. 计算并讨论了两矢量 k-j' 相关分布函数P(r), 三矢量 k-k'-j'相关分布函数P(r),空间分布函数P(r, r), 微分反应截面和积分反应截面. 研究了碰撞能从25 kcal/mol到80 kcal/mol变化对三个反应N+H2, N+D2和N+T2的影响. 结果表明: 分子间同位素和碰撞能均会对反应立体动力学性质产生一定的影响.

     

    The influences of isotopic variant and collision energy on the stereodynamics in the N(4S)+H2 reaction are investigated by using the quasi-classical trajectory method on the calculated DMBE potential energy surface. The angular distributions of P(r), P(r) and P(r, r), which reflect the vector correlation of k-j' and k-k'-j', differential cross sections,integral cross sections are calculated and discussed in detail. Moreover,the influences of collision energy variant in a collision energy range of 25-80~kcal/mol in the three reactions N+H2,N+D2 and N+T2 are also studied The results indicate that the stereodynamic properties of the reactions are influenced by intermolecular isotope and collision energies.

     

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