Quenched-annealed density functional theory for interfacial behavior of hard rods at a hard rod matrix

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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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