FLUID OF HARD SPHERES WITH A MODIFIED DIPOLE : SIMULATION AND THEORY

A model fluid made up of hard spheres with a modified point dipole, resulting from application of a perturbation theory to general molecular fluids, is studied by both molecular simulations and theory. Molecular simulations at 64 state points have been performed for two different types of modification. Two variants of Rushbrooke's Pade approximant are used to describe the system theoretically. No satisfactory theoretical results are obtained due to tendencies of the modified dipolar systems to form ferroelectric ordering.

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