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

Research output: Contribution to journalArticleResearchpeer review

Authors

  • A. Huwe
  • F. Kremer
  • Peter Behrens
  • W. Schwieger

Research Organisations

External Research Organisations

  • Leipzig University
  • Martin Luther University Halle-Wittenberg
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Details

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

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.

ASJC Scopus subject areas

Cite this

Molecular dynamics in confining space: From the single molecule to the liquid state. / Huwe, A.; Kremer, F.; Behrens, Peter et al.
In: Physical review letters, Vol. 82, No. 11, 15.03.1999, p. 2338-2341.

Research output: Contribution to journalArticleResearchpeer review

Huwe A, Kremer F, Behrens P, Schwieger W. Molecular dynamics in confining space: From the single molecule to the liquid state. Physical review letters. 1999 Mar 15;82(11):2338-2341. doi: 10.1103/PhysRevLett.82.2338
Huwe, A. ; Kremer, F. ; Behrens, Peter et al. / Molecular dynamics in confining space : From the single molecule to the liquid state. In: Physical review letters. 1999 ; Vol. 82, No. 11. pp. 2338-2341.
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