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
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
摘要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.
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.
HU Jia-Wen;YU Yang-Xin. Prediction and Refinement of High-Order Virial Coefficients for a Hard-Sphere System[J]. 中国物理快报, 2009, 26(8): 86404-086404.
HU Jia-Wen, YU Yang-Xin. Prediction and Refinement of High-Order Virial Coefficients for a Hard-Sphere System. Chin. Phys. Lett., 2009, 26(8): 86404-086404.
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