We present a simple molecular level model based on nematogenic 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 influence that the order of the medium has on the characteristics 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.
R. BERARDI, D. MICHELETTI, L. MUCCIOLI, M. RICCI, C. ZANNONI (2004). A computer simulation study of the influence of a liquid crystal medium on polymerization. THE JOURNAL OF CHEMICAL PHYSICS, 121, 9123-9130 [10.1063/1.1790453].
A computer simulation study of the influence of a liquid crystal medium on polymerization
BERARDI, ROBERTO;MICHELETTI, DAVIDE;MUCCIOLI, LUCA;RICCI, MATTEO;ZANNONI, CLAUDIO
2004
Abstract
We present a simple molecular level model based on nematogenic 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 influence that the order of the medium has on the characteristics 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.I documenti in IRIS sono protetti da copyright e tutti i diritti sono riservati, salvo diversa indicazione.
