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Molecular dynamics in confining space: From the single molecule to the liquid state

  • A. Huwe
  • , F. Kremer*
  • , Peter Behrens
  • , W. Schwieger
  • *Corresponding author for this work

Research output: Contribution to journalArticleResearchpeer review

Abstract

The transition from the dynamics of isolated molecules to that of a bulk liquid is observed for the first time by analyzing the dielectric relaxation (10-2–109Hz) of ethylene glycol (EG) guest molecules confined to zeolitic host systems of different topology. Beyond a threshold channel size the liquid character is lost, indicated by a dramatically increased relaxation rate and an Arrhenius-like temperature dependence. Computer simulations of the molecular arrangement in a confining space prove that an ensemble as small as six molecules is sufficient to exhibit the dynamics of a bulk liquid.

Original languageEnglish
Pages (from-to)2338-2341
Number of pages4
JournalPhysical review letters
Volume82
Issue number11
DOIs
Publication statusPublished - 15 Mar 1999

ASJC Scopus subject areas

  • General Physics and Astronomy

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