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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},
}