A RISM analysis of neutron diffraction data for SiCl₄/TiCl₄ and SnCl₄/TiCl₄ liquid mixtures

Abstract

The RISM equation is used to predict measured structure factors for special SiCl₄/TiCl₄ and SnCl₄/TiCl₄ liquid mixtures in which diffraction patterns are dominated by the chlorine-chlorine correlation function [1]. All previous parameters required for the theoretical model are obtained from a previous study of Montague et al. [2] which fitted the diffraction pattern for the pure liquids. Since there are no adjustable parameters, the comparison between theory and experiment for these mixtures should lead to an unambiguous interpretation and satisfactory prediction for the structure. However the calculations presented here indicate that some modifications to the previous procedure are necessary. The general features and limitations of the theory for this kind of system are discussed.