Computer simulation of the rheology of concentrated star polymer suspensions |
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Authors: | Johan T Padding Evelyne van Ruymbeke Dimitris Vlassopoulos Wim J Briels |
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Institution: | 1. Computational Biophysics, University of Twente, P.O. Box 217, 7500, AE Enschede, The Netherlands 2. FORTH, Institute of Electronic Structure and Laser, Dept. of Materials Science and Technology, University of Crete, 71110, Heraklion, Crete, Greece 3. Poly, Université catholique de Louvain, Louvain-La-Neuve, Belgium
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Abstract: | We use particle-based computer simulations to study the rheology of suspensions of high-functionality star polymers with long
entangled arms. Such particles have properties which are intermediate between those of soft colloidal particles and entangled
polymer chains. In the simulations, each star polymer is coarse-grained to a single particle. In order to faithfully reproduce
dynamical properties, it is very important to not only include time-averaged interactions (potentials of mean force) but to
also account for transient interactions induced by entanglements between the arms of different star polymers. Using a model
which has all these features, it is found that, for sufficiently high shear rates, the start-up shear stress displays an overshoot.
With increasing concentration, the core interactions increasingly dominate the initial stress response, leading to a maximum
in the stress overshoot at relatively low strain values (0.1 to 0.5). Transient forces start to dominate after this initial
stage. In a simulated experiment in which the shear rate is suddenly stepped-down from a high to a lower value, the stress
shows a clear undershoot, with the minimum stress again at a relatively low strain value (based on the new shear rate). Finally,
it is shown that a stress plateau develops in the flow curve. This plateau is absent when the transient forces between the
polymer stars are not taken into account. |
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