Deactivation dynamics of carbon dioxide in gas phase at thermal and moderately high temperature regimes

被引:1
作者
Lombardi, Andrea [1 ]
Faginas-Lago, Noelia [1 ]
机构
[1] Univ Perugia, Dipartimento Chim Biol & Biotecnol, Via Elce Sotto 8, I-06123 Perugia, Italy
关键词
Carbon dioxide; Energy exchange; Collision dynamics; State-specific rate coefficients; Intermolecular interactions; AR SOLVATION SHELLS; ENERGY-TRANSFER; KINETICS; DISSOCIATION; SIMULATION; ANISOTROPY; MOLECULES; PLASMA;
D O I
10.1016/j.cplett.2021.138850
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
In this work we present a set of state-specific rate coefficients of processes of translational and vibrational energy exchange involving the asymmetric stretching mode of CO2 molecules in gas phase. Vibration-Translation exchange is studied from thermal up to moderately high temperature regime (4000 K). For the Vibration-Vibration exchange the first ten asymmetric stretching energy levels are covered at room temperature. Rate coefficients are obtained simulating the collision dynamics by a full dimensional intermolecular potential obtained in a previous work. The data are intended for use in the kinetic modeling of gaseous mixtures containing CO2 as a major component.
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页数:5
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