Molten rubidium bromide - a rigorous study of its partial structure and allied functions

Abstract

The evaluation of the partial structure factors of molten salts is a difficult and important task. Presently though enormous amount of work is being done on the evaluation of the same, the results in most cases are not so accurate. The use of the Waisman-Lebowitz (WL) solution for the direct correlation function between ion-species along with a perturbation of the coulombic interaction in the MSM approximation leads to the formulation of the present total direct correlation function from which the partial structure functions are computed through the use of the well-known Pearson-Rushbrooks equations. All these partial structure functions possess equal positive values in the long wave limit (K → 0). The three important static correlation functions such as number-number, charge-charge, and mass-mass also are calculated. In addition the partial pair distribution function and the coordination numbers for ions calculated therefrom are in fair agreement with their established values. The total direct correlation functions are also computed and the oscillation is found to cease with increasing K as expected. The only parameters and E and ω used for the computation assume values very close to the experimentally observed values.