An integral equation method for quadrupolar hard dumbbell fluids

Abstract

The thermodynamic and structural properties of a fluid of hard dumbbells possessing point charges in a quadrupolar symmetry have been calculated by solving the RHNC equation coupled with a reference bridge function modelled by using a recently proposed angle-dependent bridge function for hard dumbbells. The results are in excellent agreement with Monte Carlo simulation data. The RHNC equation with the Percus-Yevick bridge function of hard dumbells gives somewhat less satisfactory results.