• Title of article

    Grand canonical Monte Carlo simulation of an electrolyte with a solvent primitive model

  • Author/Authors

    Wu، نويسنده , , Guang-Wen and Lee، نويسنده , , Ming and Chan، نويسنده , , Kwong-Yu، نويسنده ,

  • Issue Information
    روزنامه با شماره پیاپی سال 1999
  • Pages
    6
  • From page
    419
  • To page
    424
  • Abstract
    Grand canonical ensemble Monte Carlo simulations of the solvent primitive model are reported for estimation of chemical potential values of bulk electrolytes. In this model, the solvent is represented by neutral hard spheres, and ions described by central point charged hard spheres interact with each other as if in a uniform dielectric medium. The pair distribution profiles, internal energy and excess chemical potential of ions are presented. The packing and exclusion effects contributed by the solvent are discussed, in contrast with the primitive model in which no solvent particles are present. Results are also compared with previous calculations of the hypernetted chain theory.
  • Journal title
    Chemical Physics Letters
  • Serial Year
    1999
  • Journal title
    Chemical Physics Letters
  • Record number

    1778546