Structure factors for diatomic molecular fluids: molten CuCl

Shows how the reference interaction site model equations of Chandler et al. may be used to calculate the partial structure factors and radial distribution functions for a fluid of heteronuclear diatomic molecules. The theory is applied to the properties of the molecular model for molten CuCl proposed by Powles (1975). It is found that the effect of orientational correlations on the partial structure factors will generally be substantial. For reasonable values of the molecular dimensions a semi-quantitative fit with the experimental data of Page and Mika (1971) can be achieved. The implications for the proposed model of CuCl are discussed.