title: Computer modelling of the surface tension of the gas-liquid and liquid-liquid interface.
abstract: This review presents the state of the art in molecular simulations of interfacial systems and of the calculation of the surface tension from the underlying intermolecular potential. We provide a short account of different methodological factors (size-effects, truncation procedures, long-range corrections and potential models) that can affect the results of the simulations. Accurate calculations are presented for the calculation of the surface tension as a function of the temperature, pressure and composition by considering the planar gas-liquid interface of a range of molecular fluids. In particular, we consider the challenging problems of reproducing the interfacial tension of salt solutions as a function of the salt molality; the simulations of spherical interfaces including the calculation of the sign and size of the Tolman length for a spherical droplet; the use of coarse-grained models in the calculation of the interfacial tension of liquid-liquid surfaces and the mesoscopic simulations of oil-water-surfactant interfacial systems.
authors.affiliation: Institut de Physique de Rennes, UMR CNRS 6251, Université Rennes 1, 263 avenue du Général Leclerc, 35042 Rennes, France.
authors.forename: Aziz
authors.initials: A
authors.lastname: Ghoufi
authors.affiliation: Institut de Chimie de Clermont-Ferrand, ICCF, CNRS, UMR 6296, Université Clermont Auvergne, Université Blaise Pascal, BP 10448, F-63000 Clermont-Ferrand, France. Patrice.Malfreyt@univ-bpclermont.fr.
authors.forename: Patrice
authors.initials: P
authors.lastname: Malfreyt
authors.affiliation: CECAM École Polytechnique Fédérale de Lausanne, Batochime BCH 3101, CH 1015 Lausanne, Switzerland.
authors.forename: Dominic J
authors.initials: DJ
authors.lastname: Tildesley