Exact Classical-Mechanical Calculation of the Translational-Vibrational Energy Transfer of Energized Anharmonic Diatomic Molecules

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概要

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• The exact classical-mechanical calculation of the translational-vibrational energy transfer of diatomic molecules was extended to collisions between inert gas and anharmonic oscillator of varying initial vibrational energy. The systems investigated were H<SUB>2</SUB>–He, N<SUB>2</SUB>–Ar, and I<SUB>2</SUB>–Ar. It was found that, at lower vibrational levels, the transitions in both upward and downward directions become more efficient with an increase in the initial vibrational energy of molecules. In a high vibrational energy region, however, vibrational deactivation reaches a maximum and then diminishes as the initial vibrational energy approaches the dissociation threshold. The results illuminate the essence of a "bottleneck" to vibrational energy flow involved in the activation process of bimolecular dissociation of diatomic molecules.

• 公益社団法人 日本化学会の論文

著者

• Kajimoto Okitsugu

  Department Of Chemistry Graduate School Of Science Kyoto University

• Fueno Takayuki

  Department of Chemistry, Faculty of Engineering Science, Osaka University

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