The isotropic to nematic liquid crystal transition for hard ellipsoids: An Onsager-like theory and computer simulations

摘要: The phase transition from an isotropic to a nematic for classical fluid of hard ellipsoids has been studied using version theory originally due Onsager and by computer simulation. In the proposed form Helmholtz free energy, both second third virial coefficients are treated exactly, but fourth higher virials resummed in manner consistent with Carnahan-Starling equation state spheres. This same approach is applied calculation direct correlation function. A comparison order parameters, densities pressures calculated simulation theory, suggests following. (i) For 10 : 1 prolate ellipsoids, resumming (rather than simply neglecting them) degrades agreement overestimating importance virials. (ii) 5 oblate resummation yields considerable im...