MOLECULAR THEORY OF A CHARGED-PARTICLE IN A POLARIZABLE NONPOLAR LIQUID

A generalization of liquid state theory that treats internal degrees o f freedom on the same mathematical footing as orientational degrees of freedom is used to calculate the Maxwell field of a charged particle ina fluid of polarizable nonpolar molecules. The polarizable fluid is modeled by Lennard-Jones molecules with classical Drude oscillators. T he electric field E(r) of the charged impurity is given in terms of a screening function that yields the correct dielectric constant at larg e r and can be computed using standard procedures for the pair correla tion function of classical liquid state theory. Sample numerical resul ts using the hypernetted-chain approximation are compared with simulat ion. (C) 1997 American Institute of Physics.