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Sensitivity of the thermal and acoustic virial coefficients of argon to the argon interaction potential.

Authors :
Wiebke, Jonas
Pahl, Elke
Schwerdtfeger, Peter
Source :
Journal of Chemical Physics. 8/14/2012, Vol. 137 Issue 6, p064702. 8p. 1 Chart, 6 Graphs.
Publication Year :
2012

Abstract

Second, third, and fourth thermal and acoustic virial coefficients between 100 and 1000 K are computed for different argon interaction models derived from combinations of accurate two- and three-body potentials. Differences between the various interaction models tested mirror the presumed order in the accuracy of these models, but are not well captured at the level of the lowest-order contributions in the virial expansion: While the second- and third-order virial coefficients are found to be rather insensitive to small variations in the two- and three-body potentials, more pronounced differences in higher-order coefficients are currently of limited use in assessing the accuracy of the interaction potential due to difficulties in the unambiguous experimental determination of these higher-order coefficients. In contrast, pressure-volume and speed-of-sound data - both of which are experimentally known to highest accuracies - are found to be insensitive to small variations in the interaction model. All but the least accurate models reproduce experimental pressure-volume and speed-of-sound data near-quantitatively in regions where the (fourth-order) virial expansions apply. All quantities considered are found to be completely unaffected by a non-vanishing quadruple-dipole four-body potential. [ABSTRACT FROM AUTHOR]

Details

Language :
English
ISSN :
00219606
Volume :
137
Issue :
6
Database :
Academic Search Index
Journal :
Journal of Chemical Physics
Publication Type :
Academic Journal
Accession number :
78720311
Full Text :
https://doi.org/10.1063/1.4740465