% 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{Brodeck:9076,
      author       = {Brodeck, M. and Alvarez, F. and Moreno, A.J. and Colmenero,
                      J. and Richter, D.},
      title        = {{C}hain motion in nonentangled dynamically asymmetric
                      polymer blends: {C}omparison between atomistic simulations
                      of {PEO}/{PMMA} and a generic bead-spring model},
      journal      = {Macromolecules},
      volume       = {43},
      issn         = {0024-9297},
      address      = {Washington, DC},
      publisher    = {Soc.},
      reportid     = {PreJuSER-9076},
      pages        = {3036 - 3051},
      year         = {2010},
      note         = {This research project was supported by the European
                      Commission NoE SoftComp under contract no.
                      NMP3-CT-2004-502235 and the "Donostia International Physics
                      Center." F.A. and J.C. acknowledge support from projects
                      MAT2007-63681 and IT-436-07 (GV) and the Spanish Ministerio
                      de Educacion y Ciencia (grant no. CSD2006-53). A.J.M.
                      acknowledges project 2007-60I021. M.B. thanks NoE SoftComp
                      for support through the Eurothesis project.},
      abstract     = {The polymer blend of polyethyleneoxide (PEO) and
                      polymethylmethacrylate (PMMA) constitutes it miscible blend
                      of high dynamical asymmetry; that is, the fully miscible
                      components exhibit a large difference in their
                      glass-transition temperatures, which are 200 K apart. To get
                      it deeper understanding of the unusual PEO dynamics in this
                      system, we have performed a fully atomistic MD simulation.
                      Here we present all information and results obtained on the
                      chain self-motion. We present the mean square displacements
                      and the associated non-Gaussian parameters as a function of
                      temperature. The associated self-correlation function is
                      compared thoroughly with experiments. We display it Rouse
                      analysis and find strongly modified mode friction
                      coefficients but restoring forces that are identical to the
                      pure melt. Thereby, the Rouse correlators are strongly
                      stretched, and the mode number, p, dependence of the
                      relaxation tithes deviates strongly from the p(-2) Rouse
                      behavior. We have also carried out simulations of a simple
                      bead-spring blend, which exhibits the same qualitative
                      dynamic features of the PEO/PMMA system. This suggests that
                      such features are not specific of the PEO/PMMA system, but
                      they arc generic in real polymer blends with strong dynamic
                      asymmetry. A further important issue was the lest of
                      different models that have been invoked to explain the
                      anomalous PEO dynamics. We compare with it generalized
                      Langevin equation (GLE) approach and with it random Rouse
                      model dealing with a random distribution of friction
                      coefficients. In all aspects, the GLE model agrees
                      qualitatively very well with the results of the fully
                      atomistic simulations. The random Rouse model may be
                      considered to be it phenomenological instantaneous
                      approximation valid for the case where the density
                      fluctuations of the slow PMMA components arc relaxing much
                      slower than the relevant PEO dynamics.},
      keywords     = {J (WoSType)},
      cin          = {IFF-5 / IFF-4 / Jülich Centre for Neutron Science JCNS
                      (JCNS) ; JCNS},
      ddc          = {540},
      cid          = {I:(DE-Juel1)VDB785 / I:(DE-Juel1)VDB784 /
                      I:(DE-Juel1)JCNS-20121112},
      pnm          = {BioSoft: Makromolekulare Systeme und biologische
                      Informationsverarbeitung / Großgeräte für die Forschung
                      mit Photonen, Neutronen und Ionen (PNI)},
      pid          = {G:(DE-Juel1)FUEK505 / G:(DE-Juel1)FUEK415},
      shelfmark    = {Polymer Science},
      typ          = {PUB:(DE-HGF)16},
      UT           = {WOS:000275711300049},
      doi          = {10.1021/ma902820a},
      url          = {https://juser.fz-juelich.de/record/9076},
}