Abstract

Reference linearized hypernetted chain (RLHNC) equations for mixtures of dipolar molecules with a spherically symmetrical reference potential are presented and solved for binary mixtures of hard spheres. The dependence of the dielectric constant, the dipolar contribution to the internal energy, and the orientation-dependent components of the pair distribution functions on composition, molecular sizes, and dipole moments is studied. The RLHNC approximation results for the composition dependence of the dipolar internal energy are found to be in excellent agreement with Monte Carlo simulation data. The RLHNC theory is found to overestimate the dielectric constant at high dipolar strengths. Values of the dielectric constant in much better agreement with Monte Carlo data are obtained by using the perturbation theory.

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