Volume 49, Number 2, January II 2000
|Page(s)||183 - 188|
|Section||Condensed matter: structure, mechanical and thermal properties|
|Published online||01 September 2002|
Non-exponential kinetic behaviour of confined water
Dipartimento di Fisica, Università di Roma Tre
and INFM, Unità di Ricerca Roma Tre
Via della Vasca Navale 84, I-00146 Roma, Italy
2 Department of Theoretical Chemistry, University of Ulm Albert-Einstein-Allee 11, D-89069 Ulm, Germany
Accepted: 15 November 1999
We present the results of molecular dynamics simulations of SPC/E water confined in a realistic model of a silica pore. The single-particle dynamics have been studied at ambient temperature for different hydration levels. The confinement near the hydrophilic surface makes the dynamic behaviour of the liquid strongly dependent on the hydration level. Upon decrease of the number of water molecules in the pore we observe the onset of a slow dynamics due to the “cage effect”. The conventional picture of a stochastic single-particle diffusion process thus loses its validity.
PACS: 61.20.Ja – Computer simulation of liquid structure / 64.70.Pf – Glass transitions / 61.25.Em – Molecular liquids
© EDP Sciences, 2000
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