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

نویسندگان

  • Swaroop Chatterjee
  • Pablo G Debenedetti
  • Frank H Stillinger
چکیده

We use the extension of scaled particle theory presented in the accompanying paper [F. H. Stillinger et al., J. Chem. Phys. 125, 204504 (2006)] to calculate numerically the pair correlation function of the hard sphere fluid over the density range 0< or =rhosigma(3)< or =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 rhosigma(3)< or =0.67 and higher than simulation predictions for rhosigma(3)> or =0.67. Numerical predictions are also presented for the surface tension and Tolman length of the hard sphere fluid.

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عنوان ژورنال:
  • The Journal of chemical physics

دوره 125 20  شماره 

صفحات  -

تاریخ انتشار 2006