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

G. Lendvay, George C. Schatz

Research output: Contribution to journalArticle

47 Citations (Scopus)

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
Pages (from-to)3752-3756
Number of pages5
JournalJournal of Physical Chemistry
Volume96
Issue number9
Publication statusPublished - 1992

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Kinetic theory of gases
polyatomic molecules
Carbon Monoxide
molecular relaxation
Energy transfer
Trajectories
Molecules
kinetics
coefficients
gases
collision rates
energy transfer
trajectories
collisions
estimates
silicon tetrafluoride

ASJC Scopus subject areas

  • Physical and Theoretical Chemistry

Cite this

Choice of gas kinetic rate coefficients in the vibrational relaxation of highly excited polyatomic molecules. / Lendvay, G.; Schatz, George C.

In: Journal of Physical Chemistry, Vol. 96, No. 9, 1992, p. 3752-3756.

Research output: Contribution to journalArticle

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