Journal Article

FZJ-2014-03447

http://join2-wiki.gsi.de/foswiki/pub/Main/Artwork/join2_logo100x88.png Structure of Microgels with Debye-Hückel Interactions

Kobayashi, H.FZJ* ; Winkler, R. G.FZJ*

2014
MDPI Basel

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Please use a persistent id in citations: http://hdl.handle.net/2128/5839  doi:10.3390/polym6051602

Abstract: The structural properties of model microgel particles are investigated by molecular dynamics simulations applying a coarse-grained model. A microgel is comprised of a regular network of polymers internally connected by tetra-functional cross-links and with dangling ends at its surface. The self-avoiding polymers are modeled as bead-spring linear chains. Electrostatic interactions are taken into account by the Debye–Hückel potential. The microgels exhibit a quite uniform density under bad solvent conditions with a rather sharp surface. With increasing Debye length, structural inhomogeneities appear, their surface becomes fuzzy and, at very large Debye lengths, well defined again. Similarly, the polymer conformations change from a self-avoiding walk to a rod-like behavior. Thereby, the average polymer radius of gyration follows a scaling curve in terms of polymer length and persistence length, with an asymptotic rod-like behavior for swollen microgels and self-avoiding walk behavior for weakly swollen gel particles.

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Contributing Institute(s):

1. Theorie der Weichen Materie und Biophysik (IAS-2)
2. Theorie der Weichen Materie und Biophysik (ICS-2)

Research Program(s):

1. 451 - Soft Matter Composites (POF2-451) (POF2-451)

Appears in the scientific report 2014

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Database coverage:
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