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arXiv · 1207.2975

Simplified exponential approximation for thermodynamics of a hard-core repulsive Yukawa fluid

S. Hlushak·A. Trokhymchuk
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Abstract

Exponential approximation based on the first order mean spherical approximation (FMSA) is applied to the study of the structure and thermodynamics of hard-core repulsive Yukawa fluids. The proposed theory utilizes an exponential enhancement of the analytical solution of the FMSA due to Tang and Lu [J. Chem. Phys., 1993, 99, 9828] for the radial distribution function. From comparison with computer simulation data we have shown that at low density and low temperature conditions, where original FMSA theory fails, the FMSA-based exponential theory predicts a significant improvement.

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S. Hlushak, A. Trokhymchuk. 2012-07-12. Simplified exponential approximation for thermodynamics of a hard-core repulsive Yukawa fluid. https://doi.org/10.5488/cmp.15.23003

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