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• W2035330436 abstract "A recently proposed non hard sphere (HS) coupling parameter expansion (CPE) thermodynamic perturbation theory (TPT) is evaluated for its performance over a wide range of temperatures, particularly in tackling a so-called low temperature problem, i.e. the traditional high temperature series expansion TPT performance becomes progressively less satisfactory as the temperature drops, and finally becomes qualitatively incorrect. Accordingly, we have performed Monte Carlo simulations in the canonical ensemble for a honeycomb model potential, and the pressure, excess internal energy, excess Helmholtz free energy, excess chemical potential, and excess enthalpy have been obtained over wide density and temperature ranges for the fluid phase. These new simulation data, together with published simulation data for an HS + square well fluid at very low temperatures, have been used to test the performance of the non HS CPE third-order TPT. A general scheme for assimilating part of the tail term of the potential function considered into a reference system is proposed, which ensures running normality of the non HS perturbation code at subcritical temperatures and smooth transition into a commonly used HS perturbation scheme when the temperatures considered rise infinitely. It is found that the non HS CPE third-order TPT is very satisfactory or even very accurate for these extremely low temperatures for which traditional Zwanzig type TPT is qualitatively incorrect and even an HS CPE third-order TPT also seriously fails in some cases. Among the thermodynamic quantities considered the most difficult one to predict theoretically is the constant volume excess heat capacity, and for this quantity the non HS CPE third-order TPT is also obviously superior to its competitors." @default.
• W2035330436 created "2016-06-24" @default.
• W2035330436 creator A5079053274 @default.
• W2035330436 date "2011-09-05" @default.
• W2035330436 modified "2023-10-16" @default.
• W2035330436 title "Non hard sphere thermodynamic perturbation theory over a wide range of temperatures" @default.
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• W2035330436 doi "https://doi.org/10.1088/1742-5468/2011/09/p09001" @default.
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