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@ARTICLE{Ghavami:826048,
author = {Ghavami, Ali and Kobayashi, Hideki and Winkler, Roland G.},
title = {{I}nternal dynamics of microgels: {A} mesoscale
hydrodynamic simulation study},
journal = {The journal of chemical physics},
volume = {145},
number = {24},
issn = {1089-7690},
address = {Melville, NY},
publisher = {American Institute of Physics},
reportid = {FZJ-2017-00317},
pages = {244902},
year = {2016},
abstract = {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},
cin = {IAS-2},
ddc = {540},
cid = {I:(DE-Juel1)IAS-2-20090406},
pnm = {551 - Functional Macromolecules and Complexes (POF3-551)},
pid = {G:(DE-HGF)POF3-551},
typ = {PUB:(DE-HGF)16},
UT = {WOS:000392174800050},
doi = {10.1063/1.4972893},
url = {https://juser.fz-juelich.de/record/826048},
}