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Issue 2, 2021

Liquid/liquid interface in periodic boundary condition

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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.

Graphical abstract: Liquid/liquid interface in periodic boundary condition

Supplementary files

Article information


Submitted
02 Sep 2020
Accepted
27 Nov 2020
First published
07 Dec 2020

Phys. Chem. Chem. Phys., 2021,23, 1178-1187
Article type
Paper

Liquid/liquid interface in periodic boundary condition

M. Vatin, M. Duvail, P. Guilbaud and J. Dufrêche, Phys. Chem. Chem. Phys., 2021, 23, 1178 DOI: 10.1039/D0CP04629A

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