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arXiv · 1601.00457

Theoretical approaches to the structural properties of the square-shoulder fluid

M. López de Haro·S. B. Yuste·A. Santos
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Abstract

A comparison of simulation results with the prediction of the structural properties of square-shoulder fluids is carried out to assess the performance of three theories: Tang--Lu's first-order mean spherical approximation, the simplified exponential approximation of the latter and the rational-function approximation. These three theoretical developments share the characteristic of being analytical in Laplace space and of reducing in the proper limit to the Percus--Yevick result for the hard-sphere fluid. Overall, the best agreement with the simulation data is obtained with the simplified exponential approximation.

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M. López de Haro, S. B. Yuste, A. Santos. 2016-02-29. Theoretical approaches to the structural properties of the square-shoulder fluid. https://doi.org/10.1080/00268976.2016.1154199

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