Local dynamics of poly(ethylene oxide) confined in 1 nm slits

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Abstract

Molecular Dynamics simulations are used to explore the short-time dynamics of nanoscopically confined poly(ethylene oxide). Both bulk and confined systems have been studied using an atomistically detailed force field so as to comparatively illustrate their differences and complement experimental results. Our aim is to elucidate the origins of the counter intuitive distribution of relaxation times for C-H bond reorientation for PEO in severe confinements, as experimentally observed in solid state 2H NMR studies. In contrast with the respective bulk PEO system, where a transition from distinct solid to liquid like dynamics is seen with increasing temperature, for the confined chains there is a coexistence of fast and slow segmental dynamics over a wide temperature range. Our studies have revealed that factors such as local density inhomogeneities, proximity of Li+, and translational motion, synergistically contribute to the generation of fast PEO segmental dynamics in 1nm confinements.

Original languageEnglish (US)
Pages (from-to)395-400
Number of pages6
JournalMaterials Research Society Symposium - Proceedings
Volume738
StatePublished - Jun 30 2003
EventSpatially Resolved Characterization of Local Phenomena in Materials and Nanostructures - Boston, MA, United States
Duration: Dec 2 2002Dec 6 2002

All Science Journal Classification (ASJC) codes

  • Materials Science(all)
  • Condensed Matter Physics
  • Mechanics of Materials
  • Mechanical Engineering

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