A second-order density-functional theory is used to study the isotropic-nematic transition in a system of hard ellipsoids of revolution. The direct pair-correlation functions of the coexisting isotropic liquid that enter in the theory as input information are obtained from solving the Ornstein-Zernike equation using the Percus-Yevick closure relation. The spherical harmonic expansion coe%cients of the correla-
We propose a ''mixed'' integral equation for the pair correlation function of molecular fluids which interpolates between the hypernetted-chain and Percus-Yevick approximations. Thermodynamic consistency between the virial and compressibility equation of state is achieved by varying a single parameter in a suitably chosen mixing function. The integral equation proposed here generalizes the suggestion by Rogers and Young ͓Phys. Rev. A 30, 999 ͑1984͔͒ to an angle-dependent pair potential. When compared to available computer simulation data, the equation is found to yield excellent results for both the thermodynamic properties and the pair-correlation functions. ͓S1063-651X͑96͒02507-X͔ PACS number͑s͒: 61.20.Gy, 61.25.Em
We have used the density-functional theory to locate the freezing transitions and calculate the values of freezing parameters for a system of long elongated molecules which interact via the Gay-Berne pair potential. The pair correlation functions of isotropic phase which enter in the theory as input informations are found from the Percus-Yevick integral equation theory. At low temperatures the fluid freezes directly into the smectic A phase on increasing the density. The nematic phase is found to stabilize in between the isotropic and smectic A phases only at high temperatures and high densities. These features of the phase diagram are in good agreement with the computer simulation results.
scite is a Brooklyn-based organization that helps researchers better discover and understand research articles through Smart Citations–citations that display the context of the citation and describe whether the article provides supporting or contrasting evidence. scite is used by students and researchers from around the world and is funded in part by the National Science Foundation and the National Institute on Drug Abuse of the National Institutes of Health.