Relaxation time of non-linear polymers in dilute solution via computer simulation

  • J. G. Hernández Cifre /
  • R. Pamies /
  • M. C. López Martínez /
  • J. García De La Torre
Journal ar
Journal of Non-Crystalline Solids
  • Volumen: 352
  • Número: 42-49 SPEC. ISS.
  • Fecha: 15 November 2006
  • Páginas: 5081-5086
  • ISSN: 00223093
  • Source Type: Journal
  • DOI: 10.1016/j.jnoncrysol.2006.01.158
  • Document Type: Article
The longest relaxation time of polymer chains with varying topology (linear, regular star and ring) and flexibility (hard and soft connectors) is computed numerically by using two approaches: decay of certain property values after cessation of a perturbation (electric field or flow field) and fit of the time correlation function of some characteristic chain vector under equilibrium. The former approach gives rise to the relaxation time obtained in linear viscoelasticity whereas the latter gives rise to that obtained through dielectric measurements. In order to generate the model chain trajectory we use the Brownian dynamics simulation technique including hydrodynamic interaction and excluded volume. In this work we evaluate and present briefly the influence that the topology and the spring type used to connect the beads of the model have on the values of the longest relaxation time. © 2006 Elsevier B.V. All rights reserved.

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