001 | 154033 | ||
005 | 20240610121112.0 | ||
024 | 7 | _ | |a 10.3390/polym6051602 |2 doi |
024 | 7 | _ | |a 2128/5839 |2 Handle |
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037 | _ | _ | |a FZJ-2014-03447 |
082 | _ | _ | |a 540 |
100 | 1 | _ | |a Kobayashi, Hideki |0 P:(DE-Juel1)136926 |b 0 |u fzj |
245 | _ | _ | |a Structure of Microgels with Debye-Hückel Interactions |
260 | _ | _ | |a Basel |c 2014 |b MDPI |
336 | 7 | _ | |a Journal Article |b journal |m journal |0 PUB:(DE-HGF)16 |s 154033 |2 PUB:(DE-HGF) |
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520 | _ | _ | |a 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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700 | 1 | _ | |a Winkler, Roland G. |0 P:(DE-Juel1)131039 |b 1 |u fzj |
773 | _ | _ | |a 10.3390/polym6051602 |0 PERI:(DE-600)2527146-5 |n 5 |p 1602-1617 |t Polymers |v 6 |y 2014 |x 2073-4360 |
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