Thermodynamic approach to calculating the surface tension of single-component liquids by computer simulations |
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| Authors: | V. G. Baidakov S. P. Protsenko G. G. Chernykh |
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| Affiliation: | (1) Institute of Thermal Physics, Ural Division, Russian Academy of Sciences, ul. Amundsena 106, Yekaterinburg, 620016, Russia |
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| Abstract: | ![]()
A thermodynamic method for computing the surface tension at a flat liquid-vapor interface by the Monte Carlo or molecular dynamics methods over a wide temperature range was proposed. The approach is based on the Gibbs separating surface method; it does not require information on the mechanical state of the surface layer. |
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