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Liquid/liquid interface in periodic boundary condition
Abstract : We study how surface phenomena can change the interface geometry in liquid–liquid two-phase systems with periodic boundary conditions. Without any curvature effect on surface tension, planar (slab), cylindrical, and spherical structures are successively obtained as a function of the total composition and elongation of the box, in accordance with molecular dynamics simulations for a water/heptane system. The curvature effects described by Tolman relationship desymmetrize the phase diagram by stabilizing a concavity but it leads to inconsistencies with high curvature. Helfrich model partially resolves this and predicts the possible presence of shells reflecting a frustrated system.
https://hal.umontpellier.fr/hal-03120483
Contributeur : Magali Duvail <>
Soumis le : lundi 25 janvier 2021 - 15:28:56
Dernière modification le : mercredi 7 juillet 2021 - 03:31:28
Contributeur : Magali Duvail <>
Soumis le : lundi 25 janvier 2021 - 15:28:56
Dernière modification le : mercredi 7 juillet 2021 - 03:31:28