Short length-scale dynamics of polyisobutylene by molecular (Articolo in rivista)

Type
Label
  • Short length-scale dynamics of polyisobutylene by molecular (Articolo in rivista) (literal)
Anno
  • 2001-01-01T00:00:00+01:00 (literal)
Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#doi
  • 10.1016/S0921-4526(01)00522-1 (literal)
Alternative label
  • Karatasos K.; Saija F.; Ryckaert JP (2001)
    Short length-scale dynamics of polyisobutylene by molecular
    in Physica. B + C (Online); Elsevier, Amsterdam (Paesi Bassi)
    (literal)
Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#autori
  • Karatasos K.; Saija F.; Ryckaert JP (literal)
Pagina inizio
  • 119 (literal)
Pagina fine
  • 125 (literal)
Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#numeroVolume
  • 301 (literal)
Rivista
Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#pagineTotali
  • 7 (literal)
Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#numeroFascicolo
  • 1-2 (literal)
Note
  • Scopu (literal)
  • ISI Web of Science (WOS) (literal)
Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#affiliazioni
  • Department of Physics, Polymer Physics, Universit !e Libre de Bruxelles, Brussels, Belgium (literal)
Titolo
  • Short length-scale dynamics of polyisobutylene by molecular (literal)
Abstract
  • In this work we have performed fully atomistic MD simulations of bulk polyisobutylene (PIB), in order to extract detailed information on the relaxational mechanisms from short length-scale motions. Investigation of dynamics in terms of local reorientational correlation functions, dynamic structure factor, and calculation of relevant conformational jump rates, enable a direct comparison between observables of different experimental techniques such as NMR and neutron scattering. Moreover, the use of a full-atom model allows for a comparison between mainchain and side-group (methyl) dynamics. (literal)
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