Molecular Dynamic Simulation of Side-Chain Liquid Crystalline Elastomer

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...

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Bibliographic Details
Published in:Macromolecular symposia. 2006-03, Vol.237 (1), p.119-127
Main Authors: Darinskii, Anatoly A., Zarembo, Anna, Balabaev, Nikolai K., Neelov, Igor M., Sundholm, Franciska
Format: Article
Language:English
Subjects:
Attachment
Chains (polymeric)
Dynamical systems
Elastomers
liquid crystalline elastomer
Molecular dynamics
Networks
Simulation
Solvents
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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.
ISSN:1022-1360
1521-3900
DOI:10.1002/masy.200650513