Blog
About

3
views
0
recommends
+1 Recommend
0 collections
    0
    shares
      • Record: found
      • Abstract: found
      • Article: not found

      Computer modelling of the surface tension of the gas–liquid and liquid–liquid interface

      Read this article at

      ScienceOpenPublisher
      Bookmark
          There is no author summary for this article yet. Authors can add summaries to their articles on ScienceOpen to make them more accessible to a non-specialist audience.

          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.

          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.

          Related collections

          Most cited references 183

          • Record: found
          • Abstract: not found
          • Article: not found

          Direct determination of phase coexistence properties of fluids by Monte Carlo simulation in a new ensemble

            Bookmark
            • Record: found
            • Abstract: not found
            • Article: not found

            Wetting and spreading

              Bookmark
              • Record: found
              • Abstract: not found
              • Article: not found

              The Effect of Droplet Size on Surface Tension

                Bookmark

                Author and article information

                Journal
                CSRVBR
                Chemical Society Reviews
                Chem. Soc. Rev.
                Royal Society of Chemistry (RSC)
                0306-0012
                1460-4744
                2016
                2016
                : 45
                : 5
                : 1387-1409
                Affiliations
                [1 ]Institut de Physique de Rennes
                [2 ]UMR CNRS 6251
                [3 ]35042 Rennes
                [4 ]France
                [5 ]Institut de Chimie de Clermont-Ferrand
                [6 ]ICCF
                [7 ]CNRS
                [8 ]UMR 6296
                [9 ]F-63000 Clermont-Ferrand
                [10 ]CECAM École Polytechnique Fédérale de Lausanne
                [11 ]CH 1015 Lausanne
                [12 ]Switzerland
                Article
                10.1039/C5CS00736D
                © 2016
                Product
                Self URI (article page): http://xlink.rsc.org/?DOI=C5CS00736D

                Comments

                Comment on this article