Charged hard spheres in dipolar hard sphere solvents. A model for electrolyte solutions

Abstract

The linearized and quadratic hypernetted-chain approximations are solved numerically for mixtures of charged hard spheres in dipolar hard sphere solvents. The pair correlation functions, concentration dependent dielectric constant, and thermodynamic properties are examined for several solvents and a range of ion concentrations. The ion–ion pair correlation functions contain many interesting structural features which are not present in the so-called primitive model. Solvent separated ion pairs are found to be a very important species in certain solutions.