| CONDENSED MATTER: STRUCTURE, MECHANICAL AND THERMAL PROPERTIES |
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Prediction and Refinement of High-Order Virial Coefficients for a Hard-Sphere System |
| HU Jia-Wen1,2, YU Yang-Xin2 |
| 1College of Resources, Shijiazhuang University of Economics, Shijiazhuang 0500312Department of Chemical Engineering, Tsinghua University, Beijing 100084 |
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| Cite this article: |
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HU Jia-Wen, YU Yang-Xin 2009 Chin. Phys. Lett. 26 086404 |
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Abstract The nth virial coefficient for a hard-sphere system is expressed as the sum of n2 and a remainder. When n≥3, the remainders of the virials can be accurately expressed with Pade-type functions of n. The maximum deviations are only 0.039-0.053%, which are much better than the existing approaches. By using the predicted virials, the compressibility factors of the hard-sphere system can be predicted very accurately in the whole stable fluid region, and those in the metastable fluid region can also be well predicted up to a packing fraction of 0.545. The simulated B7 and B10 are found to be inconsistent with the other known virials, and thus they are refined to be 53.2467 and 105.042, respectively.
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| Keywords:
64.10.+h
05.70.Ce
05.20.Jj
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Received: 31 March 2009
Published: 30 July 2009
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| PACS: |
64.10.+h
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(General theory of equations of state and phase equilibria)
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05.70.Ce
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(Thermodynamic functions and equations of state)
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05.20.Jj
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(Statistical mechanics of classical fluids)
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