New equations of state for pure and binary hard-sphere fluids

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Anatol Malijevský and Jan Veverka


Abstract

An equation of state for one-component fluids of hard spheres is proposed. The equation has the form of the Pade′ approximant of the rescaled virial series and uses the first seven virial coefficients. The equation is superior to the Carnahan–Starling, the Erpenbeck–Wood and the Kolafa equations of state. It is shown that its accuracy is almost the same as the precision of recent simulation data. The same general form of the equation is used for binary additive mixtures of hard spheres. The equation utilizes known virial coefficients up to the fifth as functions of the mole fraction and the sphere diameter ratio. Comparisons with Monte Carlo computer simulation data show that the equation is more accurate than the Boublík–Mansoori–Carnahan–Starling–Leland and similar equations of state at fluid packing fractions up to η=0.49. Possible extensions and applications of the proposed equations are discussed.


References

  1. E. J. J. Van Rensburg, J. Phys. A, 1993, 26, 4805 CrossRef.
  2. F. H. Ree and W. G. Hover, J. Chem. Phys., 1967, 46, 4181 CrossRef CAS.
  3. J. J. Erpenbeck and W. W. Wood, J. Stat. Phys., 1984, 35, 321.
  4. M. Baus and J. L. Colot, Phys. Rev. A, 1987, 36, 3912 CrossRef CAS.
  5. N. F. Carnahan and K. E. Starling, J. Chem. Phys., 1961, 51, 635 CrossRef.
  6. J. Kolafa, unpublished results cited in ref. 8.
  7. M. Barošová, PhD Thesis (in Czech), VŠCHT, Praha, 1996.
  8. T. Boublík and I. Nezbeda, Coll. Czech. Chem. Commun., 1986, 51, 2301 CAS.
  9. T. Coussaert and M. Baus, J. Chem. Phys., 1998, 109, 6012 CrossRef CAS.
  10. R. J. Wheatley, Mol. Phys., 1998, 93, 965 CrossRef CAS.
  11. F. Saija, G. Fiumara and P. V. Giaquinta, Mol. Phys., 1996, 87, 991 CrossRef CAS; Ibid., 1997, 92, 1089 Search PubMed.
  12. R. J. Wheatley, F. Saija and P. V. Giaquinta, Mol. Phys., 1998, 94, 877 CrossRef CAS.
  13. T. Boublík, J. Chem. Phys., 1970, 53, 471 CrossRef CAS.
  14. G. A. Mansoori, N. F. Carnahan, K. E. Starling and T. W. Leland, J. Chem. Phys., 1971, 54, 1523 CrossRef CAS.
  15. A. Santos, S. B. Yuste and M. L. de Haro, Mol. Phys., 1999, 96, 1 CrossRef CAS.
  16. M. Barošová, A. Malijevský, S. Labík and W. R. Smith, Mol. Phys., 1996, 87, 423 CrossRef CAS.
  17. T. Biben and J. P. Hansen, Phys. Rev. Lett., 1991, 66, 2215 CrossRef CAS for recent studies see e.g. ref. 9 and references therein.
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