• Title of article

    Density functional theory for non-uniform associating ionic fluids

  • Author/Authors

    Reszko-Zygmunt، نويسنده , , Joanna and Soko?owski، نويسنده , , Stefan، نويسنده ,

  • Issue Information
    روزنامه با شماره پیاپی سال 2005
  • Pages
    8
  • From page
    249
  • To page
    256
  • Abstract
    We discuss a density functional approach of non-uniform electrolytes that includes the term that takes into account the formation of associated ionic pairs. The theory is based on a fundamental measurement theory of hard-spheres, the theory of Gillespie et al. [D. Gillespie, W. Nonner, R.S. Eisenberg, J. Phys.: Condens. Matter 14 (2002) 12129] which leads to a more accurate description of the electrostatic part of the grand potential and on the Wertheim theory of association. The results of model calculations indicate that at low temperatures the inclusion of the associative term in the grand potential leads to the structure of the double layer, which differs from the structure evaluated by neglecting the association. However, these differences become negligibly small at high temperatures.
  • Keywords
    Density functional theory , Non-uniform electrolytes , association
  • Journal title
    Journal of Electroanalytical Chemistry
  • Serial Year
    2005
  • Journal title
    Journal of Electroanalytical Chemistry
  • Record number

    1671155