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Journal Articles The Journal of Chemical Physics Year : 2017

Importance of the tail corrections on surface tension of curved liquid-vapor interfaces

Aziz Ghoufi
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P. Malfreyt

Abstract

We report molecular simulations of the liquid-vapor cylindrical interface of methane. We apply the truncated Lennard-Jones potential and specific long-range corrections for the surface tension developed especially for cylindrical interfaces. We investigate the impact of the cutoff on the radial density profile, the intrinsic and long-range correction parts to the surface tension, and Tolman length. We also study the curvature dependence of the surface tension as a function of the cutoff used. In this work we shed light that both density and Tolman length are cutoff-dependent whereas the total surface tension is slightly curvature and cutoff dependent. © 2017 Author(s).
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hal-01508401 , version 1 (14-04-2017)

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Aziz Ghoufi, P. Malfreyt. Importance of the tail corrections on surface tension of curved liquid-vapor interfaces. The Journal of Chemical Physics, 2017, 146 (8), pp.084703. ⟨10.1063/1.4976964⟩. ⟨hal-01508401⟩
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