Partial structures and compressibilities of ions in fused potassium bromide

Gopala Rao, R. V. ; Pal, Sobhen Kumar (1984) Partial structures and compressibilities of ions in fused potassium bromide Pramana - Journal of Physics, 22 (6). pp. 523-532. ISSN 0304-4289

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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 κ-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 wavevector K → 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 parameters σ ij , the distances of closest approach between ions and ε, the effective dielectric constant (which can be estimated from the literature) are enough for this work.

Item Type:Article
Source:Copyright of this article belongs to Indian Academy of Sciences.
Keywords:Waisman-lebowitz Solution; Partial Structure Factors; Direct Correlation Function; Pearson-rushbrooke Equations; Partial Radial Distribution Function
ID Code:23887
Deposited On:01 Dec 2010 12:58
Last Modified:17 May 2016 07:41

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