Berlin 2012 – scientific programme

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CPP: Fachverband Chemische Physik und Polymerphysik

CPP 39: Wetting, Micro and nanofluidics II

CPP 39.3: Talk

Friday, March 30, 2012, 10:00–10:15, C 243

Orientational prewetting of planar solid substrates by a model liquid crystal — •Manuel Greschek and Martin Schoen — Stranski-Laboratorium für Physikalische und Theoretische Chemie, Fakultät für Mathematik und Naturwissenschaften, Technische Universität Berlin, Straße des 17. Juni 135, 10623 Berlin, Germany

We present grand canonical ensemble Monte Carlo simulations of prewetting transitions in a model liquid crystal at structureless solid substrates. Molecules of the liquid crystal interact via anisometric Lennard-Jones potentials and can be anchored planar or homeotropically at the substrates. Fluid-substrate attraction is modeled by a Yukawa potential of variable range. By monitoring the grand-potential density and the nematic order parameter as functions of the chemical potential several discontinuous prewetting, wetting, and isotropic-nematic phase transitions are observed. These transitions depend on both the range of the fluid-substrate attraction and the specific anchoring at the substrate. Our results show that at substrates characterized by degenerate anchoring prewetting occurs at lower chemical potentials compared with cases in which the anchoring is monostable. This indicates that prewetting transitions are driven by orientational entropy because degenerate anchoring allows for more orientationally distinct configurations of molecules compared with monostable anchoring. By analyzing in addition local density and various local order parameters a detailed picture of the structure of various phases emerges from our simulations.