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Synthesis of Cyclic Polymers and Characterization of Their Diffusive Motion in the Melt State at the Single Molecule Level
Published on: September 26, 2016
Modeling of Entangled Polymer Diffusion in Melts and Nanocomposites: A Review
Argyrios Karatrantos1, Russell J Composto2, Karen I Winey3
1Materials Research and Technology, Luxembourg Institute of Science and Technology, 5, Avenue des Hauts-Fourneaux, L-4362 Esch-sur-Alzette, Luxembourg. argyrioskaratrantos@gmail.com.
Abstract:
This review concerns modeling studies of the fundamental problem of entangled (reptational) homopolymer diffusion in melts and nanocomposite materials in comparison to experiments. In polymer melts, the developed united atom and multibead spring models predict an exponent of the molecular weight dependence to the polymer diffusion very similar to experiments and the tube reptation model. There are rather unexplored parameters that can influence polymer diffusion such as polymer semiflexibility or polydispersity, leading to a different exponent. Models with soft potentials or slip-springs can estimate accurately the tube model predictions in polymer melts enabling us to reach larger length scales and simulate well entangled polymers. However, in polymer nanocomposites, reptational polymer diffusion is more complicated due to nanoparticle fillers size, loading, geometry and polymer-nanoparticle interactions.
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