• Partial structures and compressibilities of ions in fused potassium bromide

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    • Keywords


      Waisman-Lebowitz solution; partial structure factors; direct correlation function; Pearson-Rushbrooke equations; partial radial distribution function

    • Abstract


      Treating the coulomb interaction between ion species as a perturbation on the Waisman-Lebowitz solution for direct correlation function within the hard core region, the total direct correlation function in K-space has been formulated, which gives a direct method of evaluating the partial structure factors between different ion species of the fused salts through the use of Pearson-Rushbrooke equations. The partial structure factors so obtained have been applied to evaluate the partial radial distribution functions of ion pairs. In addition, many other important associated functions such as the static correlations of total number, mass and charge densities have been computed by particular linear combination of partial structure factors. The charge neutrality relate the partial structure factors to the isothermal compressibility for the wavevectorK → 0 and hence the evaluation of the compressibilities of ions in fused KBr is possible, which agrees well with the observed value. As such the present method is very useful in investigating the structure of molten salts since only the parametersσij, the distances of closest approach between ions andɛ, the effective dielectric constant (which can be estimated from the literature) are enough for this work.

    • Author Affiliations


      R V Gopala Rao1 Sobhen Kumar Pal1

      1. Faculty of Science, Jadavpur University, Calcutta - 700 032, India
    • Dates

  • Pramana – Journal of Physics | News

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      Posted on July 25, 2019

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