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)

[thumbnail of JChemPhys_131_214705.pdf]
Preview
 Text. Filename: JChemPhys_131_214705.pdf.pdf
Final Published Version
Download (710kB)| Preview

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.

CORE (COnnecting REpositories)