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Anisotropic friction and excluded volume effects in freely jointed bead–rod polymer chain models

J. Chem. Phys. 101, 5293 (1994); doi:10.1063/1.467383

Issue Date: 15 September 1994

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Z. Xu, S. Kim, and J. J. de Pablo
Department of Chemical Engineering, University of Wisconsin-Madison, Madison, Wisconsin 53706
We have studied the kinematics and rheological properties of undiluted polymers by modeling the fluids as a collection of interacting Kramers freely jointed bead–rod chains with anisotropic friction using Brownian dynamics simulations. The anisotropic friction depends on the instantaneous configuration of the system. The resulting stochastic differential equations have multiplicative noise. The correlation of the ``Langevin'' Brownian forces appearing in these equations turns out to be anisotropic as well. The excluded volume effect, often ignored in kinetic theory, plays an important role in the behavior of short polymer chains. The chain kinematics may be distorted in its absence. In this work, we also discuss the effects of two types of excluded volume (EV) forces (hard-sphere and soft-repulsive forces) on rheological properties of concentrated polymer solutions. The Journal of Chemical Physics is copyrighted by The American Institute of Physics.
History: Received 10 December 1993; accepted 17 May 1994
Permalink: http://link.aip.org/link/?JCPSA6/101/5293/1
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KEYWORDS and PACS

Keywords
PACS
  • 83.10.Nn
    Rheology Fundamentals and general Polymer dynamics
  • YEAR: 1994

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ISSN:
0021-9606 (print)   1089-7690 (online)
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