摘要
The equation of state(EOS) for hard-sphere fluid derived from compressibility routes of Percus-Yevick theory(PYC) is extended. The two parameters are determined by fitting well-known virial coefficients of pure fluid.The extended cubic EOS can be directly extended to multi-component mixtures, merely demanding the EOS of mixtures also is cubic and combining two physical conditions for the radial distribution functions at contact(RDFC) of mixtures.The calculated virial coefficients of pure fluid and predicted compressibility factors and RDFC for both pure fluid and mixtures are excellent as compared with the simulation data. The values of RDFC for mixtures with extremely large size ratio 10 are far better than the BGHLL expressions in literature.
The equation of state(EOS) for hard-sphere fluid derived from compressibility routes of Percus-Yevick theory(PYC) is extended. The two parameters are determined by fitting well-known virial coefficients of pure fluid.The extended cubic EOS can be directly extended to multi-component mixtures, merely demanding the EOS of mixtures also is cubic and combining two physical conditions for the radial distribution functions at contact(RDFC) of mixtures.The calculated virial coefficients of pure fluid and predicted compressibility factors and RDFC for both pure fluid and mixtures are excellent as compared with the simulation data. The values of RDFC for mixtures with extremely large size ratio 10 are far better than the BGHLL expressions in literature.
基金
Supported by the Science and Technology Foundation of State Key Laboratory for Shock Wave and Detonation Physics under Grant No.9140C670103120C6702
the Program for Excellent Talents of Sichuan Province of China under Grant No.2011JQ0053
University Electronic Science and Technology of China under Grant No.23601008
