Chain and local dynamics of polyisoprene as probed by experiments and computer simulations

M. Doxastakis, D. N. Theodorou*, G. Fytas, F. Kremer, R. Faller, F. Müller-Plathe, N. Hadjichristidis

*Corresponding author for this work

Research output: Contribution to journalArticlepeer-review

77 Scopus citations

Abstract

The dynamics of low molecular weight polyisoprene was investigated over a broad temperature window using dielectric relaxation spectroscopy and pulsed field gradient nuclear magnetic resonance. Molecular dynamics simulations performed using two different models captured very well the dynamic properties documented experimentally. Experimental data and a normal mode analysis on simulation trajectories showed that chain dynamics over the molecular weight and temperature range studied could be described well by the Rouse model.

Original languageEnglish (US)
Pages (from-to)6883-6894
Number of pages12
JournalJournal of Chemical Physics
Volume119
Issue number13
DOIs
StatePublished - Oct 1 2003
Externally publishedYes

ASJC Scopus subject areas

  • Physics and Astronomy(all)
  • Physical and Theoretical Chemistry

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