共 37 条
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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