Empirical potential for the He+CO2 interaction: Multiproperty fitting in the infinite-order sudden approximation

Mark Keil, Gregory A. Parker

Research output: Contribution to journalArticlepeer-review

50 Scopus citations

Abstract

An empirical intermolecular potential for the interaction of He with CO2 is obtained via data reduction of phenomenological cross sections. The infinite order sudden approximation is used to calculate the total differential, total integral, and spectral line broadening cross sections, and diffusion, viscosity, thermal conductivity, thermal diffusion factors, and second virial coefficients. Second order Chapman-Cowling corrections were used to determine some of the transport coefficients, and quantum corrections to the classical virial coefficients were included. The empirical potential obtained simultaneously fits all nine different types of experimental data to within their experimental error and the computational accuracy.

Original languageEnglish
Pages (from-to)1947-1966
Number of pages20
JournalJournal of Chemical Physics
Volume82
Issue number4
DOIs
StatePublished - 1 Jan 1984
Externally publishedYes

ASJC Scopus subject areas

  • Physics and Astronomy (all)
  • Physical and Theoretical Chemistry

Fingerprint

Dive into the research topics of 'Empirical potential for the He+CO2 interaction: Multiproperty fitting in the infinite-order sudden approximation'. Together they form a unique fingerprint.

Cite this