Nematic-isotropic transition in a density-functional theory for hard spheroidal colloids

• Published in: The European physical journal. E, Soft matter and biological physics Vol. 41; no. 11; p. 136
• Main Author: Nascimento, E. S.
• Format: Journal Article
• Language: English
• Published: Berlin/Heidelberg Springer Berlin Heidelberg 2018; Springer Nature B.V
• Subjects: Aspect ratio; Biological and Medical Physics; Biophysics; Complex Fluids and Microfluidics; Complex Systems; Computer simulation; Condensed matter physics; Density functional theory; Distribution functions; Ellipsoids; Equations of state; Free energy; Nanotechnology; Phase separation; Phase transitions; Physics; Physics and Astronomy; Polymer Sciences; Regular Article; Soft and Granular Matter; Surfaces and Interfaces; Thin Films; Soft Matter: Liquid crystals
• ISSN: 1292-8941; 1292-895X
• DOI: 10.1140/epje/i2018-11746-0

. We introduce a density-functional formalism based on the Parsons-Lee and the generalized van der Waals theories in order to describe the thermodynamics of anisotropic particle systems with steric interactions. For ellipsoids of revolution, the orientational distribution function is obtained by minimizing the free energy functional and the equations of state are determined. The system exhibits a nematic-isotropic discontinuous transition, characterized by a phase separation between nematic and isotropic phases at finite as well low packing fractions. The model presents a phase behavior which is in good agreement with Monte Carlo simulations for finite aspect ratios. Graphical abstract