Rheology and structural properties of hyperbranched polymers: A non-equilibrium molecular dynamics study

Le, T, Todd, B, Daivis, P and Uhlherr, A 2008, 'Rheology and structural properties of hyperbranched polymers: A non-equilibrium molecular dynamics study', in Prof. Albert Co, Prof. L. Gary Leal, Prof. Ralph J. Colby, Prof. A. Jeffrey Giacomin (ed.) The XVth International Congress on Rheology, Monterey, United States, 3-8 August 2008, pp. 433-435.


Document type: Conference Paper
Collection: Conference Papers

Title Rheology and structural properties of hyperbranched polymers: A non-equilibrium molecular dynamics study
Author(s) Le, T
Todd, B
Daivis, P
Uhlherr, A
Year 2008
Conference name The XVth International Congress on Rheology
Conference location Monterey, United States
Conference dates 3-8 August 2008
Proceedings title The XVth International Congress on Rheology
Editor(s) Prof. Albert Co, Prof. L. Gary Leal, Prof. Ralph J. Colby, Prof. A. Jeffrey Giacomin
Publisher Springer
Place of publication Melville, United States
Start page 433
End page 435
Total pages 3
Abstract Hyperbranched polymers are imperfectly branched or irregular tree-like structures that have special properties and potential applications in various areas such as thermoset resins, toughening agents and drug delivery. They can be synthesized economically by one-pot reaction which adapts well to large-scale production but provides a polydisperse mixture of randomly branched polymers with different size and topology. This leads to difficulties in experiments and gives simulation a valuable opportunity to gain further insight in understanding the structure and rheology of hyperbranched structures. They have been simulated using bead-rod models together with Monte Carlo and Brownian dynamics techniques. In this research, hyperbranched polymers were simulated using coarse-grained uniform beads and non-equilibrium molecular dynamics (NEMD) methods. Polymeric chains are composed of interconnected beads interacting via finitely extensible nonlinear elastic (FENE) and Weeks-Chandler-Anderson (WCA) potentials. Viscoelastic properties and structural changes of trifunctional hyperbranched polymers in the melt undergoing planar shear are investigated. Our results are in the range between those of dendrimers and linear analogues of equivalent molecular mass.
Subjects Atomic, Molecular, Nuclear, Particle and Plasma Physics not elsewhere classified
Condensed Matter Modelling and Density Functional Theory
Keyword(s) coarse-grained model
hyperbranched polymers
non-equilibrium molecular dynamics
Copyright notice © 2008 American Institute of Physics
ISBN 9780735405493
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