Structure of Microgels with Debye–Hückel Interactions
AbstractThe 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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Kobayashi, H.; Winkler, R.G. Structure of Microgels with Debye–Hückel Interactions. Polymers 2014, 6, 1602-1617.
Kobayashi H, Winkler RG. Structure of Microgels with Debye–Hückel Interactions. Polymers. 2014; 6(5):1602-1617.Chicago/Turabian Style
Kobayashi, Hideki; Winkler, Roland G. 2014. "Structure of Microgels with Debye–Hückel Interactions." Polymers 6, no. 5: 1602-1617.