MONTE-CARLO SIMULATION OF THE INTERLACE BETWEEN FLEXIBLE POLYMERS ANDLOW-MOLECULAR LIQUID-CRYSTALS

The lattice Monte Carlo (MC) simulation is performed to investigate th e interface between flexible polymers and thermotropic low molecular l iquid crystals (LCs), where the anisotropic attraction between nearest neighbour rods is described by the Lebwohl-Lasher nematogen model. Th e simulation outputs not only confirm some previous numerical calculat ions under mean-field assumptions, but can reveal some properties of t he 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 m ixture to a large extent, so that the LC/polymer interface is very nar row. The interface is sharpened and the interfacial tension is strengt hened under one or some of the following conditions: enhancement of th e anisotropic attraction between rods or of the isotropic repulsion be tween rods and coils, decrease of temperature and increase of chain le ngth. (C) 1998 Published by Elsevier Science Ltd. All rights reserved.