Choice of gas kinetic rate coefficients in the vibrational relaxation of highly excited polyatomic molecules

György Lendvay, George C Schatz*

*Corresponding author for this work

Research output: Contribution to journalArticlepeer-review

49 Scopus citations

Abstract

We examine the convergence of average energy transfer with maximum impact parameter in classical trajectory studies of CS2 collisional relaxation by He, Xe, H2, CO, CS2, and CH4, SF6 relaxation by He, Ar, Xe, and SF6, and SiF4 relaxation by Ar. This leads to estimates of the gas kinetic collision rate coefficient that are substantially larger (by a factor of 3.1 on average, and a maximum of 4.7) than are obtained using the traditional Lennard-Jones collision frequency.

Original languageEnglish (US)
Pages (from-to)3752-3756
Number of pages5
JournalJournal of Physical Chemistry
Volume96
Issue number9
DOIs
StatePublished - Jan 1 1992

ASJC Scopus subject areas

  • Engineering(all)
  • Physical and Theoretical Chemistry

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