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Scaled Particle Theory for Hard Sphere Pairs. II. Numerical Analysis

Swaroop Chatterjee·Pablo G. Debenedetti·Frank H. Stillinger
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Abstract

We use the extension of scaled particle theory (ESPT) presented in the accompanying paper [Stillinger et al. J. Chem. Phys. xxx, xxx (2007)] to calculate numerically pair correlation function of the hard sphere fluid over the density range $0\leq ρσ^3\leq 0.96$. 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 $ρσ^3\leq 0.67$ and higher than simulation predictions for $ρσ^3\geq 0.67$. Numerical predictions are also presented for the surface tension and Tolman length of the hard sphere fluid.

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Swaroop Chatterjee, Pablo G. Debenedetti, Frank H. Stillinger. 2006-08-30. Scaled Particle Theory for Hard Sphere Pairs. II. Numerical Analysis. https://doi.org/10.1063/1.2374890

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