Literature DB >> 22897297

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

Jonas Wiebke1, Elke Pahl, Peter Schwerdtfeger.   

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.

Entities:  

Year:  2012        PMID: 22897297     DOI: 10.1063/1.4740465

Source DB:  PubMed          Journal:  J Chem Phys        ISSN: 0021-9606            Impact factor:   3.488


  1 in total

1.  Path-integral calculation of the fourth virial coefficient of helium isotopes.

Authors:  Giovanni Garberoglio; Allan H Harvey
Journal:  J Chem Phys       Date:  2021-03-14       Impact factor: 3.488

  1 in total

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