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

Vincent Peters, Mark Vis, Henricus Herman Wensink, Remco Tuinier (Corresponding author)

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Abstract

Based on simplifications of previous numerical calculations [H. Graf and H. Löwen, Phys. Rev. E 59, 1932 (1999)], 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.
Original languageEnglish
Article number062707
Number of pages11
JournalPhysical Review E
Volume101
Issue number6
DOIs
Publication statusPublished - 29 Jun 2020

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