‘Exact’ integral equation theory and local formulation for excess thermodynamic properties of hard spheres |
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Authors: | Shiqi Zhou |
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Affiliation: | aInstitute of Modern Statistical Mechanics, Hunan University of Technology, Wenhua Road, Zhuzhou city, 412008, PR China |
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Abstract: | A hybrid hard sphere bridge function is proposed, which, in combination with the standard Ornstein–Zernike integral equation, can predict extremely accurately hard sphere compressibility, virial pressure, and correlation function. Second, a local formulation for determination of excess chemical potential is derived out, which, in combination with the present hybrid hard sphere bridge function and OZ integral equation, can predict the excess chemical potential also extremely accurately. The resultant excess entropy is in excellent agreement with that from the Carnahan–Starling equation of state. The present formalism performs excellently over the whole density range, i.e. from zero to freezing density, and is largely superior to a formalism available in the literature. |
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Keywords: | Excess chemical potential Sum rule Liquids |
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