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Two-modes approach to the state-to-state vibrational kinetics of CO 2
Journal of Physics B: Atomic, Molecular and Optical Physics ( IF 1.5 ) Pub Date : 2020-07-13 , DOI: 10.1088/1361-6455/ab9d01
Vladislav Kotov

Two-modes (symmetric–asymmetric) reduction of the CO 2 vibrational kinetics has been introduced systematically for the purpose of state-to-state modeling. The two-modes approach is known from multi-temperature models. Its basic assumption is that vibrational energy of the CO 2 molecule which depends on 4 quantum numbers can be approximated by a function of only 2 numbers. Subsequently, vibrational states of CO 2 with the same quantum numbers of the effective symmetric and asymmetric mode can be grouped into one combined state. The paper presents the calculation of the average probabilities of transitions between combined states based on the Schwartz–Slawsky–Herzfeld theory. Closed analytical formulas are derived for vibrational–translational and vibrational–vibrational transitions.

中文翻译:

CO 2状态振动动力学的两种模式

出于状态对状态建模的目的,系统地引入了CO 2振动动力学的两种模式(对称-不对称)降低。从多温度模型可以知道两种模式。它的基本假设是,取决于4个量子数的CO 2分子的振动能只能由2个数的函数来近似。随后,可以将具有有效对称模式和非对称模式的相同量子数的CO 2的振动状态分组为一个组合状态。本文介绍了基于Schwartz-Slawsky-Herzfeld理论计算组合状态之间跃迁的平均概率。对于振动-平移和振动-振动过渡,得出了封闭的分析公式。
更新日期:2020-07-14
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