Document Type
Article
Abstract
Modifications to the traditional Onsager theory for modeling isotropic–nematic phase transitions in hard prolate spheroidal systems are presented. Pure component systems are used to identify the need to update the Lee–Parsons resummation term. The Lee–Parsons resummation term uses the Carnahan–Starling equation of state to approximate higher-order virial coefficients beyond the second virial coefficient employed in Onsager’s original theoretical approach. As more exact ways of calculating the excluded volume of two hard prolate spheroids of a given orientation are used, the division of the excluded volume by eight, which is an empirical correction used in the original Lee–Parsons resummation term, must be replaced by six to yield a better match between the theoretical and simulation results. These modifications are also extended to binary mixtures of hard prolate spheroids using the Boublík–Mansoori–Carnahan–Starling–Leland (BMCSL) equation of state.
Digital Object Identifier (DOI)
Publication Info
Published in Entropy, Volume 23, Issue 7, 2021, pages 846-.
Rights
© 2021 by the authors. Licensee MDPI, Basel, Switzerland. This article is an open access article distributed under the terms and conditions of the Creative Commons Attribution (CC BY) license (https://creativecommons.org/licenses/by/4.0/).
APA Citation
Ohadi, D., Corti, D. S., & Uline, M. J. (2021). On Using the BMCSL Equation of State to Renormalize the Onsager Theory Approach to Modeling Hard Prolate Spheroidal Liquid Crystal Mixtures. Entropy, 23(7), 846. https://doi.org/10.3390/e23070846