Quenched-annealed density functional theory for interfacial behavior of hard rods at a hard rod matrix
Cheung, David L. and Schmidt, Matthias (2009) Quenched-annealed density functional theory for interfacial behavior of hard rods at a hard rod matrix. Journal of Chemical Physics, 131 (21). 214705. ISSN 0021-9606 (https://doi.org/10.1063/1.3267728)
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Abstract
We consider a system of mobile hard rods that are immersed in an isotropic matrix of hard rods with quenched positions and orientations. Using quenched-annealed density functional theory the disorder-averaged excess free energy functional is approximated by an Onsager second virial form, which is valid in the limit of large length-to-thickness aspect ratio of the particles. We find that inside the bulk isotropic matrices the isotropic-nematic phase transition occurs at higher values of the chemical potential than in the pure system, shifted proportionally to the product of the matrix density and the matrix-fluid excluded volume. We investigate adsorption and penetration behavior of the annealed rods at the planar surface of a porous rod matrix, considering both perpendicular and parallel boundary conditions of the nematic director far from the surface.
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Item type: Article ID code: 43718 Dates: DateEvent7 December 2009PublishedKeywords: quenched-annealed density, functional theory, interfacial behavior, hard rods, hard rod matrix, lyotropic liquid crystals, computer simulation, density functional theory, phase transitions, Chemistry, Physics and Astronomy(all), Physical and Theoretical Chemistry, Mathematics(all) Subjects: Science > Chemistry Department: Faculty of Science > Pure and Applied Chemistry Depositing user: Pure Administrator Date deposited: 07 May 2013 10:23 Last modified: 21 May 2021 02:23 URI: https://strathprints.strath.ac.uk/id/eprint/43718
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