Simplified hard-sphere and hard-sphere chain equations of state for engineering applications

Kh Nasrifar*, O. Bolland

*Corresponding author for this work

Research output: Contribution to journalArticlepeer-review

15 Citations (Scopus)

Abstract

A simple hard-sphere equation of state is proposed. This hard-sphere equation is a ratio of second-order polynomials that meets the ideal gas and close-packed density limits. It predicts the compressibility of hard-sphere fluids at low and medium densities to within a degree of quality similar to the widely used Carnahan-Starling equation. In addition, the proposed equation performs better at high densities, particularly near the close-packed density. An expression is also derived to relate the site-site correlation function at contact for hard dimers with the site-site correlation function at contact for hard spheres. With this relationship, the thermodynamic perturbation-dimer theory (TPT-D) of hard-sphere chains is simplified. The new theory performs comparably with the TPT-D when the compressibility factors of hard-sphere chain fluids containing up to 201-mer are predicted, however, it has the advantages of both simplicity and accuracy. From a practical perspective, this theory can be used to construct equations of state for polymer solutions or fluid systems containing short- and long-chain molecules.

Original languageEnglish
Pages (from-to)1277-1293
Number of pages17
JournalChemical Engineering Communications
Volume193
Issue number10
DOIs
Publication statusPublished - Oct 2006
Externally publishedYes

Keywords

  • Close packing
  • Compressibility factor
  • Correlation function
  • Hard sphere
  • Hard-sphere chain

ASJC Scopus subject areas

  • Chemistry(all)
  • Chemical Engineering(all)

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