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

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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https://hal-univ-rennes1.archives-ouvertes.fr/hal-01508401
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Submitted on : Friday, April 14, 2017 - 9:44:32 AM
Last modification on : Monday, February 25, 2019 - 4:12:15 PM

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

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