Deactivation Dynamics Of Carbon Dioxide In Gas Phase At Thermal And Moderately High Temperature Regimes

CHEMICAL PHYSICS LETTERS(2021)

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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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关键词
Carbon dioxide, Energy exchange, Collision dynamics, State-specific rate coefficients, Intermolecular interactions
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