Scaled particle theory for hard sphere pairs. II. Numerical analysis

Swaroop Chatterjee, Pablo G. Debenedetti, Frank H. Stillinger

Research output: Contribution to journalArticle

8 Scopus citations

Abstract

We use the extension of scaled particle theory presented in the accompanying paper [F. H. Stillinger, J. Chem. Phys. 125, 204504 (2006)] to calculate numerically the pair correlation function of the hard sphere fluid over the density range 0≤ρ 3 ≤0.96. Comparison with computer simulation results reveals that the new theory is able to capture accurately the fluid's structure across the entire density range examined. The pressure predicted via the virial route is systematically lower than simulation results, while that obtained using the compressibility route is lower than simulation predictions for ρ 3 ≤0.67 and higher than simulation predictions for ρ 3 0.67. Numerical predictions are also presented for the surface tension and Tolman length of the hard sphere fluid.

Original languageEnglish (US)
Article number204505
JournalJournal of Chemical Physics
Volume125
Issue number20
DOIs
StatePublished - Dec 7 2006

All Science Journal Classification (ASJC) codes

  • Physics and Astronomy(all)
  • Physical and Theoretical Chemistry

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