Density profile and order parameter of a hard ellipsoidal fluid confined to a slit

J Phys Condens Matter. 2005 Sep 21;17(37):5625-5634. doi: 10.1088/0953-8984/17/37/001.

Abstract

The density profile and order parameter of a fluid of hard axially symmetric ellipsoids confined in between two parallel hard walls is obtained by using the density functional theory. The required input direct correlation function of the homogeneous fluid is calculated by the variational method introduced by Marko (1989 Phys. Rev. 39 2050) and the modified closest approach method proposed by Rickayzen (1998 Mol. Phys. 95 393). Here the restricted orientation model, ROM, is extended to study a fluid comprising molecules which can be aligned in more than six directions, making it more representative of a normal fluid. The density profiles, the average number density and order parameter are obtained for different values of density and elongations. The results are in agreement with the previous theory and available Monte Carlo simulation results.