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A general expression for the ordered-packed volume fraction of hard spheres of different diameters

Ghotbi, C ; Sharif University of Technology | 2002

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  1. Type of Document: Article
  2. DOI: 10.1021/ie010793d
  3. Publisher: American Chemical Society , 2002
  4. Abstract:
  5. An expression is proposed to evaluate the ordered-packed volume fraction of hard spheres of unequal diameters in multicomponent mixtures. This value can be used with different mixing rules and with any one-component hard-sphere equation of state (EOS) meeting the correct close-packed limit. It is shown that the new method improves the results produced by conventional mixing rules for the individual radial distribution functions (RDFs) at contact value of hard-sphere mixtures. Particular attention is given to the case of the large diameter ratio especially when the larger spheres are at low concentration. Based on the observation that, in a binary mixture, the value of the RDF at contact value of the larger spheres approaches the value of the RDF at contact value of a one-component hard-sphere fluid, the proposed expression is used to correct the RDF at contact value of a pure hard-sphere fluid in the Santos et al. mixing rule. The EOS obtained by combining the Ghotbi-Vera one-component EOS with the corrected Santos et al. mixing rule is used to predict different thermodynamic properties, and the results are compared with the computer-simulated data
  6. Keywords:
  8. Source: Industrial and Engineering Chemistry Research ; Volume 41, Issue 5 , 2002 , Pages 1122-1128 ; 08885885 (ISSN)
  9. URL: https://pubs.acs.org/doi/10.1021/ie010793d