Algebraic equations of state for the liquid crystalline phase behavior of hard rods

Abstract

Based on simplifications of previous numerical calculations [H. Graf and H. Löwen, Phys. Rev. E 59, 1932 (1999)1063-651X10.1103/PhysRevE.59.1932], we propose algebraic free energy expressions for the smectic-A liquid crystal phase and the crystal phases of hard spherocylinders. Quantitative agreement with simulations is found for the resulting equations of state. The free energy expressions can be used to straightforwardly compute the full phase behavior for all aspect ratios and to provide a suitable benchmark for exploring how attractive interrod interactions mediate the phase stability through perturbation approaches such as free-volume or van der Waals theory.