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• W2042616279 abstract "The interface between a fluid and a static wall is a useful model for a chemically heterogeneous solid-liquid interface. In this work, we outline the calculation of the wall-fluid interfacial free energy (γwf) for such systems using molecular simulation combined with adsorption equations based on Cahn’s extension of the surface thermodynamics of Gibbs. As an example, we integrate such an adsorption equation to obtain γwf as a function of pressure for a hard-sphere fluid at a hard wall. The results so obtained are shown to be in excellent agreement in both magnitude and precision with previous calculations of this quantity, but are obtained with significantly lower computational effort." @default.
• W2042616279 created "2016-06-24" @default.
• W2042616279 creator A5050379603 @default.
• W2042616279 creator A5070615049 @default.
• W2042616279 date "2010-05-24" @default.
• W2042616279 modified "2023-10-16" @default.
• W2042616279 title "Calculation of the interfacial free energy of a fluid at a static wall by Gibbs–Cahn integration" @default.
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• W2042616279 doi "https://doi.org/10.1063/1.3428383" @default.
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