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首页> 外文期刊>The journal of physical chemistry, A. Molecules, spectroscopy, kinetics, environment, & general theory >Dynamics study of the OH+O-3 atmospheric reaction with both reactants vibrationally excited
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Dynamics study of the OH+O-3 atmospheric reaction with both reactants vibrationally excited

机译：两种反应物振动激发下OH + O-3大气反应的动力学研究

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摘要

The dynamics of the title five-atom atmospheric reaction is studied by the quasiclassical trajectory method for vibrational states of OH over the range 2 <= nu <= 9 and initial vibrational energies of O-3 between 9 and 21 kcal mol(-1) using a previously reported double many-body expansion potential energy surface for HO4- ((2)A). The results show that the reaction is controlled by both capture- and barrier-type mechanisms, with the rate constants depending strongly on the reactants' internal energy content. Also suggested from the magnitude of the calculated rate coefficients is that the title processes may not be ignorable when studying the stratospheric ozone budget.
机译：通过准经典轨迹法研究了2≤nu≤9范围内的OH的振动态以及9至21 kcal mol（-1）的O-3的初始振动能的标题五原子大气反应动力学。使用先前报道的HO4-（（2）A）的双多体膨胀势能面。结果表明，反应受俘获型和势垒型机制的控制，速率常数在很大程度上取决于反应物的内部能量含量。从计算出的速率系数的幅度还可以看出，研究平流层臭氧预算时标题过程可能不会被忽略。

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