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 Boublik-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), 846–846. https://doi.org/10.3390/e23070846