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Molecular Dynamic Simulation of Side-Chain Liquid Crystalline Elastomer |
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| Authors: | Anatoly A. Darinskii Anna Zarembo Nikolai K. Balabaev Igor M. Neelov Franciska Sundholm |
| Affiliation: | 1. Institute of Macromolecular Compounds, Bolshoi pr.31, 199004 St.-Petersburg, Russia;2. Laboratory of Polymer Chemistry, University of Helsinki, P.O.Box 55, FIN-00014 Helsinki, Finland;3. Institute of Mathematical Problems of Biology, 142292 Pushchino, Russia;4. Institute of Macromolecular Compounds, Bolshoi pr.31, 199004 St.-Petersburg, Russia University of Leeds, IRC in Polymer Science and Technology, Leeds LS29JT, UK |
| Abstract: | Summary: Molecular dynamic simulation of side chain liquid crystalline elastomer has been carried out. As an initial state a flexible polymer network in a low molecular liquid-crystal (LC) solvent was used. The LC solvent comprises of anisotropic rod-like semiflexible linear molecules (mesogens) composed of particles bonded into the chain by FENE potential. Rigidity of LC molecules was induced by a bending potential. All interactions between nonbonded particles are described by a repulsive Lennard-Jones potential. For the systems with different values of density and order parameter obtained after sufficiently long trajectory the attachment of ends of mesogens to the polymer network was simulated. The kinetic of the process of mesogens attachment to network was studied as well as morphology of attachment. The structural and dynamical behaviour of side chain LC elastomer was studied and compared with systems of polymer network in low molecular LC solvent. |
| Keywords: | liquid crystalline elastomer molecular dynamics |