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| 001 | 826048 | ||
| 005 | 20210129225516.0 | ||
| 024 | 7 | _ | |a 10.1063/1.4972893 |2 doi |
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| 100 | 1 | _ | |a Ghavami, Ali |0 P:(DE-Juel1)164360 |b 0 |
| 245 | _ | _ | |a Internal dynamics of microgels: A mesoscale hydrodynamic simulation study |
| 260 | _ | _ | |a Melville, NY |c 2016 |b American Institute of Physics |
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| 520 | _ | _ | |a We analyze the dynamics of polymers in a microgel system under different swelling conditions. A microgel particle consists of coarse-grained linear polymers which are tetra-functionally crosslinked and undergoes conformational changes in response to the external stimuli. Here, a broad range of microgel sizes, extending from tightly collapsed to strongly swollen particles, is considered. In order to account for hydrodynamic interactions, the microgel is embedded in a multiparticle collision dynamics fluid while hydrophobic attraction is modelled by an attractive Lennard-Jones potential and swelling of ionic microgels is described through the Debye-Hückel potential. The polymer dynamics is analyzed in terms of the monomer mean square displacement and the intermediate scattering function S(q, t). The scattering function decays in a stretched-exponential manner, with a decay rate exhibiting a crossover from a collective diffusive dynamics at low magnitudes of the wavevector q to a hydrodynamic-dominated dynamics at larger q. There is little difference between the intermediate scattering functions of microgels under good solvent conditions and strongly swollen gels, but strongly collapsed gels exhibit a faster decay at short times and hydrodynamic interactions become screened. In addition, we present results for the dynamics of the crosslinks, which exhibit an unexpected, semiflexible polymer-like dynamics.I. INTRODUCTION |
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| 700 | 1 | _ | |a Kobayashi, Hideki |0 P:(DE-Juel1)136926 |b 1 |
| 700 | 1 | _ | |a Winkler, Roland G. |0 P:(DE-Juel1)131039 |b 2 |u fzj |
| 773 | _ | _ | |a 10.1063/1.4972893 |g Vol. 145, no. 24, p. 244902 - |0 PERI:(DE-600)1473050-9 |n 24 |p 244902 |t The journal of chemical physics |v 145 |y 2016 |x 1089-7690 |
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