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Determination of tube theory parameters using a simple grid model as an example

Likhtman, A., Talib, M., Vorselaars, B. and Ramirez, J. (2013) Determination of tube theory parameters using a simple grid model as an example. Macromolecules, 46 (3). pp. 1187-1200. ISSN 0024-9297

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To link to this item DOI: 10.1021/ma302103p

Abstract/Summary

Although the tube theory is successful in describing entangled polymers qualitatively, a more quantitative description requires precise and consistent definitions of its parameters. Here we investigate the simplest model of entangled polymers, namely a single Rouse chain in a cubic lattice of line obstacles, and illustrate the typical problems and uncertainties of the tube theory. In particular we show that in general one needs 3 entanglement related parameters, but only 2 combinations of them are relevant for the long-time dynamics. Conversely, the plateau modulus can not be determined from these two parameters and requires a more detailed model of entanglements with explicit entanglement forces, such as the slipsprings model. It is shown that for the grid model the Rouse time within the tube is larger than the Rouse time of the free chain, in contrast to what the standard tube theory assumes.

Item Type:Article
Refereed:Yes
Divisions:Faculty of Science > School of Mathematical, Physical and Computational Sciences > Department of Mathematics and Statistics
ID Code:31285
Publisher:American Chemical Society

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