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Isotropic-nematic transition of hard rods immersed in random sphere matrices M. Schmidt and M. Dijkstra, J. Chem. Phys. 121, 12067 (2004). Locate in [bare] [illustrated] list. Get [full paper] as pdf. Abstract. Using replica density functional theory and Monte Carlo computer simulations we investigate a system of annealed hard spherocylinders adsorbed in a matrix of quenched hard spheres. Theoretical predictions for the partition coefficient, defined as the ratio of density of rods in the matrix and that in a reservoir, agree well with simulation results. Theory predicts the isotropic-nematic transition to remain first order upon increasing sphere packing fraction, and to shift towards lower rod densities. This scenario is consistent with our simulation results that clearly show a jump in the nematic order parameter upon increasing the rod density at constant matrix packing fraction, corresponding to the isotropic-nematic transition, even for sphere matrix packing fractions < 0.3. [figures] Read the [full paper] as pdf. |