Wetting of Planar Surfaces by a Gay-Berne Liquid Crystal

Abstract

Molecular simulation of the wetting of an unstructured attractive wall by Gay-Berne liquid crystals are reported. Simulations are performed in the grand canonical ensemble on a wide pore at constant temperatures of T *=0.53 and 0.56, corresponding to temperatures below and above the nematic-isotropic-vapor triple point. Close to the coexistence chemical potential, a thick liquid film wets the solid surface. The film is composed of stratified layers of molecules parallel to the solid surface, which follow to a nematic domain at the lower temperature and an isotropic one at the higher temperature. In both cases, the film is in equilibrium with the corresponding vapor phase. Close to the liquid-vapor interface there is a manifest tendency for the molecules to orient themselves parallel to the interface. The adsorption on the wall varies continuously with the thermodynamic parameters considered and no evidence of a first order prewetting transition is observed.

Keywords:

• Monte Carlo
• Adsorption
• Film
• Prewetting