• Title of article

    How does the electronic continuum model perform in the prediction of the surface tension of salt solutions?

  • Author/Authors

    Neyt، نويسنده , , Jean Claude and Wender، نويسنده , , Aurélie and Lachet، نويسنده , , Véronique and Szymczyk، نويسنده , , Anthony and Ghoufi، نويسنده , , Aziz and Malfreyt، نويسنده , , Patrice، نويسنده ,

  • Issue Information
    روزنامه با شماره پیاپی سال 2014
  • Pages
    5
  • From page
    209
  • To page
    213
  • Abstract
    The electronic continuum (EC) model uses a scaling of the charges of the ions in order to model implicitly the polarization into nonpolarizable models. This scaling procedure is applied here to two standard nonpolarizable force fields to investigate the salt concentration dependence of the surface tension and density of NaCl aqueous solutions. The composition of the interface and the orientation of the water molecules at the water surface are reported for different combinations of force fields.
  • Journal title
    Chemical Physics Letters
  • Serial Year
    2014
  • Journal title
    Chemical Physics Letters
  • Record number

    1936339