The study of isotropic-nematic phase transition in a system of rodlike molecules requires an accurate equation of state for the isotropic phase. In this paper, generalized Flory-dimer (GF-D) theory is extended to fluids composed of rigid linear chains, and its predictions of the compressibility factor and virial coefficients are compared with simulation results available in the literature. A simplified equation of state is derived which eliminates the need to evaluate exclusion volumes. Compressibility factor predictions for linear tangent hardsphere (LTHS) trimers, linear fused hard-sphere (LFHS) trimers, LTHS tetramers, and planar T-and Y-shaped tangent hard-sphere tetramers are in excellent agreement with simulation results. For LFHS 6-mers and 8-mers, with the ratio of bond length l to hard-sphere diameter d of 0.5, GF-D predictions are in good agreement with simulation results only for volume fractions less than about 0.4. At higher densities, GF-D theory first underpredicts and then slightly overpredicts the compressibility factor for both LFHS 6-mers and 8-mers. However, the modified Wertheim equation of state overpredicts the compressibility factor over the entire density range for these fluids. For LFHS 8-mers (l/d ) 0.6), the agreement between GF-D predictions and simulation results is good only up to a volume fraction of about 0.33, after which the theory overpredicts the compressibility factor. This breakdown is attributed to an isotropic-nematic phase transition. Examination of the virial coefficients for LTHS chains and LFHS (l/d ) 0.5) chains reveals that GF-D theory benefits from a cancellation of errors caused by overprediction and underprediction of the individual virial coefficients.
scite is a Brooklyn-based organization that helps researchers better discover and understand research articles through Smart Citations–citations that display the context of the citation and describe whether the article provides supporting or contrasting evidence. scite is used by students and researchers from around the world and is funded in part by the National Science Foundation and the National Institute on Drug Abuse of the National Institutes of Health.
customersupport@researchsolutions.com
10624 S. Eastern Ave., Ste. A-614
Henderson, NV 89052, USA
This site is protected by reCAPTCHA and the Google Privacy Policy and Terms of Service apply.
Copyright © 2025 scite LLC. All rights reserved.
Made with 💙 for researchers
Part of the Research Solutions Family.