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Published January 2021 | Version v1
Journal article

Liquid/liquid interface in periodic boundary condition

  • 1. Univ Montpellier, ICSM, CEA, CNRS, ENSCM, Marcoule, (France)
  • 2. Univ Montpellier, DMRC, LILA, CEA, DES, ISEC, Marcoule, (France)

Description

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. (authors)

Additional details

Identifiers

Publishing Information

Journal Title
Physical Chemistry Chemical Physics. PCCP (Print)
Journal Volume
23
Journal Issue
no.2
Journal Page Range
p. 101039.1-101039.10
ISSN
1463-9076

Optional Information

Notes
74 refs.