Stability, structure, compressibility factor, excess free energy and density profile of hard prolate pear shape fluids

Abstract

ABSTRACT In this work, the Kerr coefficients of isotropic and uniaxial nematic liquid crystals consisting of hard ellipsoid and hard prolate pear-shaped molecules were theoretically studied using classical density functional theory. A new analytical approximate expression for the direct correlation function of hard pear- shaped molecules is applied. Using the expansion coefficients of this direct correlation function, we calculated the structural parameters, compressibility factor, and excess free energy of the hard pear-shaped liquid crystals. In addition, using the restricted orientation model, one particle density of a confined hard pear- shaped liquid crystal is calculated. The limiting stabilities and estimated transition densities are in qualitative agreement with available data. The results confirm the validity of this approximate direct correlation function.