Molecular theory of a charged particle in a polarizable nonpolar liquid

Publisher Website
Google Scholar
Abstract
A generalization of liquid state theory that treats internal degrees of freedom on the same mathematical footing as orientational degrees of freedom is used to calculate the Maxwell field of a charged particle in a fluid of polarizable nonpolar molecules. The polarizable fluid is modeled by Lennard-Jones molecules with classical Drude oscillators. The electric field E(r) of the charged impurity is given in terms of a screening function that yields the correct dielectric constant at large r and can be computed using standard procedures for the pair correlation function of classical liquid state theory. Sample numerical results using the hypernetted-chain approximation are compared with simulation.