Molecular Dynamics in Confining Space: From the Single Molecule to the Liquid State

A. Huwe, F. Kremer, P. Behrens, and W. Schwieger
Phys. Rev. Lett. 82, 2338 – Published 15 March 1999
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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 (102109Hz) 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.

  • Received 15 September 1998

DOI:https://doi.org/10.1103/PhysRevLett.82.2338

©1999 American Physical Society

Authors & Affiliations

A. Huwe and F. Kremer*

  • Department of Physics, University of Leipzig, D-04103 Leipzig, Germany

P. Behrens

  • Department of Chemistry, University of Hannover, D-30167 Hannover, Germany

W. Schwieger

  • Department of Chemistry, Martin-Luther-University Halle–Wittenberg, D-06108 Halle, Germany

  • *Author to whom correspondence should be addressed.

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Vol. 82, Iss. 11 — 15 March 1999

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