J. Chem, Phys., accepted (2004) A COMPUTER SIMULATION STUDY OF THE INFLUENCE OF A LIQUID CRYSTAL MEDIUM ON POLYMERIZATION.

We present a simple molecular level model based on Gay–Berne monomers linked by Finitely Extendable Nonlinear Elastic Potential (FENE) bonds for describing main chain polymerization in liquid crystals. We apply the model to study the in uence that the order of the medium has on the character-istics of the chains obtained. We find that the chains prepared from the nematic are actually straighter than those obtained from a polymerization in the isotropic phase and that they are characterized by a small number of hairpins as experimentally observed. 1