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@INBOOK{Andreoni:903582,
      author       = {Smiatek, Jens and Holm, Christian},
      editor       = {Andreoni, Wanda and Yip, Sidney},
      title        = {{F}rom the {A}tomistic to the {M}acromolecular {S}cale:
                      {D}istinct {S}imulation {A}pproaches for {P}olyelectrolyte
                      {S}olutions},
      address      = {Cham},
      publisher    = {Springer International Publishing},
      reportid     = {FZJ-2021-05237},
      pages        = {15 p.},
      year         = {2018},
      comment      = {Handbook of Materials Modeling / Andreoni, Wanda (Editor) ;
                      Cham : Springer International Publishing, 2018, Chapter 33-1
                      ; ISBN: 978-3-319-42913-7 ; doi:10.1007/978-3-319-42913-7},
      booktitle     = {Handbook of Materials Modeling /
                       Andreoni, Wanda (Editor) ; Cham :
                       Springer International Publishing,
                       2018, Chapter 33-1 ; ISBN:
                       978-3-319-42913-7 ;
                       doi:10.1007/978-3-319-42913-7},
      abstract     = {Polyelectrolytes reveal interesting properties in solution.
                      At short length scales,the dissociation of counterions is
                      heavily affected by the chemical structure of
                      thepolyelectrolyte, the properties of the solution, and
                      specific ion effects. At largerlength scales, the structure
                      of polyelectrolyte solutions is dominated by long-range
                      interactions. In the special case of dissolved polyanions
                      and polycations,polyelectrolyte complexes or multilayers can
                      form. In this review we presentdistinct simulation
                      approaches to study the corresponding effects at
                      differentlength scales in more detail. Whereas at short
                      length scales, atomistic moleculardynamics simulation is
                      often the method of choice, semi-coarse-grained and
                      coarse-grained models with a lower level of details reveal
                      their benefits at largerlength scales.},
      cin          = {IEK-12},
      cid          = {I:(DE-Juel1)IEK-12-20141217},
      pnm          = {1221 - Fundamentals and Materials (POF4-122)},
      pid          = {G:(DE-HGF)POF4-1221},
      typ          = {PUB:(DE-HGF)7},
      doi          = {10.1007/978-3-319-42913-7_33-1},
      url          = {https://juser.fz-juelich.de/record/903582},
}