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Full Paper
Orientation of Polymer Chains in Dilute Solution under Shear: Effect of Chain Model and Excluded Volume
Article first published online: 29 MAR 2004
DOI: 10.1002/mats.200300023
Copyright © 2004 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim
Additional Information
How to Cite
Hernández Cifre, J. G. and García de la Torre, J. (2004), Orientation of Polymer Chains in Dilute Solution under Shear: Effect of Chain Model and Excluded Volume. Macromol. Theory Simul., 13: 273–279. doi: 10.1002/mats.200300023
Publication History
- Issue published online: 29 MAR 2004
- Article first published online: 29 MAR 2004
- Manuscript Accepted: 7 JAN 2004
- Manuscript Revised: 23 DEC 2003
- Manuscript Received: 3 OCT 2003
- Abstract
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Keywords:
- bead-spring;
- dilute solution;
- excluded volume;
- orientation;
- simulations
Abstract
Summary: Polymer orientation in dilute solutions undergoing shear flow is investigated computationally by means of the Brownian dynamics simulation technique applied to the bead-spring chain model. The dependence of the degree of orientation on the shear intensity is evaluated through a quantity called orientation resistance. All simulations were performed using non-preaveraged hydrodynamic interaction (HI). The spring type (Gaussian or FENE) is shown to strongly determine the shear flow behavior of the chain orientation. Solvent quality (Θ, good or bad), represented by a suitable Lennard-Jones intramolecular potential, does not affect the flow behavior but influences the values of the orientation resistance. Hence, the orientability of the polymer molecule is, in a way, related to the flow intensity.