Bačová, P, Lentzakis, H, Read, DJ et al. (3 more authors) (2014) Branch-point motion in architecturally complex polymers: estimation of hopping parameters from computer simulations and experiments. Macromolecules. ISSN 0024-9297
Abstract
Relaxation of branched polymers under tube-based models involves a parameter p² characterizing the hop size of relaxed side arms. Depending on assumptions made in rheological models (e.g., about the relevant tube diameter for branchpoint hops), p² had been set to values varying from 1 to 1/60 in the literature. From large-scale molecular dynamics simulations of melts of entangled branched polymers of different architectures, and from experimental rheological data on a set of well characterized comb polymers with many (~30) side arms, we estimate the values of p2 under different assumptions in the hierarchical relaxation scheme. Both the simulations and the experiments show that including the backbone friction and considering hopping in the dilated tube provides the most consistent set of hopping parameters in different architectures.
Metadata
Item Type: | Article |
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Authors/Creators: |
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Copyright, Publisher and Additional Information: | © 2014, American Chemical Society. This is an author produced version of a paper published in Macromolecules. Uploaded with permission from the publisher. |
Keywords: | Polymer; branched; dynamics; rheology; simulaiton |
Dates: |
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Institution: | The University of Leeds |
Academic Units: | The University of Leeds > Faculty of Engineering & Physical Sciences (Leeds) > School of Mathematics (Leeds) > Applied Mathematics (Leeds) |
Depositing User: | Symplectic Publications |
Date Deposited: | 16 May 2014 10:36 |
Last Modified: | 05 Aug 2015 18:33 |
Published Version: | http://dx.doi.org/10.1021/ma5003936 |
Status: | Published |
Publisher: | American Chemical Society |
Identification Number: | 10.1021/ma5003936 |
Open Archives Initiative ID (OAI ID): | oai:eprints.whiterose.ac.uk:78833 |