Vibrational energy transfer from highly excited anharmonic oscillators: Quasiclassical Monte Carlo trajectory study of Br2-Ar and Br 2-Br system

M. Koshi*, H. Itoh, Hiroyuki Matsui

*此作品的通信作者

研究成果: Article同行評審

10 引文 斯高帕斯(Scopus)

摘要

Thermally averaged rate coefficients for vibrational energy transfer of Br2 by Ar and Br atoms are calculated by a quasiclassical Monte Carlo trajectory method. In the Br2-Br system, both the nonreactive and the reactive energy transfer rates are calculated using the potential energy surface derived from a VB-DIM method. The quantum number dependence of the transition rates is investigated over a wide range of initial vibrational levels at T=2000-3500 K. It is found that the vibrational scaling law is very much different from the predictions based on the simple first-order theories of the vibrational energy transfer. A surprisal analysis of the results shows that the surprisals depend linearly on the absolute values of the quantum number difference. The characteristics of the energy transfer in the highly excited vibrational states are discussed.

原文English
頁(從 - 到)4903-4910
頁數8
期刊The Journal of chemical physics
82
發行號11
DOIs
出版狀態Published - 1 一月 1985

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