Free-energy computations for mixtures of Stockmayer and polarizable Lennard-Jones fluids

Abstract

Molecular-dynamics calculations are presented for mixtures of polarizable Lennard-Jones and Stockmayer particles. The free energy of mixing is determined as a function of the polarizability. These calculations show that an immiscible mixture of (non-polarizable) Lennard-Jones and Stockmayer molecules can become miscible by adding a sufficiently high polarizability to the Lennard-Jones molecules.