Can an ab initio three-body virial equation describe the mercury gas phase?
We report a sixth-order ab initio virial equation of state (EOS) for mercury. The virial coefficients were determined in the temperature range from 500 to 7750 K using a three-body approximation to the N-body interaction potential.
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| Hauptverfasser: | , , , , |
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| Dokumenttyp: | Article (Journal) |
| Sprache: | Englisch |
| Veröffentlicht: |
February 18, 2014
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| In: |
The journal of physical chemistry. B, Biophysics, biomaterials, liquids, and soft matter
Year: 2014, Jahrgang: 118, Heft: 12, Pages: 3392-3400 |
| ISSN: | 1520-5207 |
| DOI: | 10.1021/jp412260a |
| Online-Zugang: | Resolving-System, lizenzpflichtig, Volltext: https://doi.org/10.1021/jp412260a Verlag, lizenzpflichtig, Volltext: https://pubs.acs.org/doi/10.1021/jp412260a 
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| Verfasserangaben: | J. Wiebke, M. Wormit, R. Hellmann, E. Pahl, and P. Schwerdtfeger |
MARC
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| 520 | |a We report a sixth-order ab initio virial equation of state (EOS) for mercury. The virial coefficients were determined in the temperature range from 500 to 7750 K using a three-body approximation to the N-body interaction potential. | ||
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