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Title: Langevin Dynamics Simulation of Chain Crosslinking into Polymer Networks
Authors: Wu, Rongliang
Li, Ting
Nies, Eric # ×
Issue Date: May-2012
Publisher: Hu╠łthig & Wepf
Series Title: Macromolecular Theory and Simulations vol:21 issue:4 pages:250-265
Abstract: A Langevin dynamics simulation method is presented to create and investigate the properties of polymer networks. The properties of the network are found to depend upon the interactions between segments of the precursor chains, the FJCs and the excluded volume chains modeled by the repulsive WCA potential. The mean square displacements of the crosslinkers in both networks show scaling behaviors with chain length. The shear modulus obtained from the stress/strain behavior is in fair agreement with the phantom network theory for networks built from FJC precursor chains. The method allows to study the effects of crosslinking in combination with other effects in the study
of supramolecular materials.
ISSN: 1022-1344
Publication status: published
KU Leuven publication type: IT
Appears in Collections:Molecular Imaging and Photonics
Polymer Chemistry and Materials
× corresponding author
# (joint) last author

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