Quenched-annealed density functional theory for interfacial behavior of hard rods at a hard rod matrix.
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.
Cheung
David L
DL
Department of Chemistry and Centre for Scientific Computing, University of Warwick, Coventry CV4 7AL, United Kingdom. david.cheung@warwick.ac.uk
Schmidt
Matthias
M