% IMPORTANT: The following is UTF-8 encoded.  This means that in the presence
% of non-ASCII characters, it will not work with BibTeX 0.99 or older.
% Instead, you should use an up-to-date BibTeX implementation like “bibtex8” or
% “biber”.

@ARTICLE{Fitzgerald:859641,
      author       = {Fitzgerald, Barry W. and den Otter, Wouter K. and Luding,
                      Stefan and Briels, Willem},
      title        = {{M}esoscale {S}imulations of the {R}heology of {F}illed
                      {S}tyrene-{B}utadiene {C}ompounds},
      journal      = {Macromolecular theory and simulations},
      volume       = {27},
      number       = {5},
      issn         = {1022-1344},
      address      = {Weinheim},
      publisher    = {Wiley-VCH},
      reportid     = {FZJ-2019-00489},
      pages        = {1800014 -},
      year         = {2018},
      abstract     = {The ability of a highly coarse‐grained polymer model is
                      explored to simulate the impact of carbon black (CB) filler
                      concentration on the rheological properties of unvulcanized
                      styrene–butadiene melts—an intermediate stage in the
                      production of styrene–butadiene rubber (SBR) commonly used
                      in tyres. Responsive particle dynamics (RaPiD), previously
                      used to study dilute polymeric systems, models entire
                      polymers as single particles interacting through a
                      combination of conservative interactions and transient
                      entanglement‐mimicking forces. The simulation parameters
                      are tuned to the linear rheology of the unfilled melt, as
                      measured using a rubber process analyzer (RPA). For the
                      filled compounds, only the interaction between the polymers
                      and fillers is varied. On top of excluded volume
                      interactions, a slight attraction (≈0.1 kBT) between
                      polymers and fillers is required to attain agreement with
                      RPA measurements. The physical origins of the small strength
                      of this interaction are discussed. This method offers
                      potential for future numerical investigations of filled
                      melts.},
      cin          = {ICS-3},
      ddc          = {540},
      cid          = {I:(DE-Juel1)ICS-3-20110106},
      pnm          = {551 - Functional Macromolecules and Complexes (POF3-551)},
      pid          = {G:(DE-HGF)POF3-551},
      typ          = {PUB:(DE-HGF)16},
      UT           = {WOS:000444679600001},
      doi          = {10.1002/mats.201800014},
      url          = {https://juser.fz-juelich.de/record/859641},
}