• Title of article

    Density and Polarization Profiles of Dipolar Hard Ellipsoids Confined between Hard Walls: A Density Functional Theory Approach

  • Author/Authors

    moradi, m Physics Department - College of Sciences - Shiraz University , binaei ghotbabadi, b Physics Department - College of Sciences - Shiraz University

  • Pages
    14
  • From page
    153
  • To page
    166
  • Abstract
    The density and polarization profiles of the dipolar hard ellipsoids confined between hard walls are studied using the density functional theory (DFT). The Hyper-Netted Chain (HNC) approximation is used to write excess grand potential of the system with respect to the bulk value. The number density is expanded up to zero and first order in polarization to find the results. For the zero order in polarization, the coupled integral equations for the directional densities are obtained. Then for the first order in polarization the coupled integral equations for the directional densities and polarization profiles are obtained. To simplify the calculations we use restricted orientation model (ROM) for the orientation of ellipsoids to find the density and polarization profiles. We also apply an electric field and write an expression for the excess grand potential of the system and obtain the coupled integral equations for the density and polarization profiles again. Finally we calculate the density and polarization profiles for different cases and compare the obtained results.
  • Keywords
    Dipolar hard ellipsoids , Density functional theory , Density profile , Polarization profile , Confined fluids
  • Journal title
    Physical Chemistry Research
  • Serial Year
    2017
  • Record number

    2511587