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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| Main Authors: | , , , , |
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| Format: | Article (Journal) |
| Language: | English |
| Published: |
February 18, 2014
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| In: |
The journal of physical chemistry. B, Biophysics, biomaterials, liquids, and soft matter
Year: 2014, Volume: 118, Issue: 12, Pages: 3392-3400 |
| ISSN: | 1520-5207 |
| DOI: | 10.1021/jp412260a |
| Online Access: | 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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| Author Notes: | J. Wiebke, M. Wormit, R. Hellmann, E. Pahl, and P. Schwerdtfeger |
| Summary: | 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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| Item Description: | Gesehen am 01.09.2020 |
| Physical Description: | Online Resource |
| ISSN: | 1520-5207 |
| DOI: | 10.1021/jp412260a |