Monte Carlo simulation of the interlace between flexible polymers and low molecular liquid crystals

The lattice Monte Carlo (MC) simulation is performed to investigate the interface between flexible polymers and thermotropic low molecular liquid crystals (LCs), where the anisotropic attraction between nearest neighbour rods is described by the Lebwohl-Lasher nematogen model. The simulation outputs not only confirm some previous numerical calculations under mean-field assumptions, but can reveal some properties of the LC/polymer interface which are difficult to detect in experiment or predict in theory at the present time. The nematic ordering is found to enhance the driving force of the phase separation in the rod/coil mixture to a large extent, so that the LC/polymer interface is very narrow. The interface is sharpened and the interfacial tension is strengthened under one or some of the following conditions: enhancement of the anisotropic attraction between rods or of the isotropic repulsion between rods and coils, decrease of temperature and increase of chain length. (C) 1998 Published by Elsevier Science Ltd. All rights reserved.