Molecular dynamics results on water confined in a silica pore in the low hydration regime are presented. Strong layering effects are found due to the hydrophilic character of the substrate. The local properties of water are studied as function of both temperature and hydration level. The interaction of the thin films of water with the silica atoms induces a strong distortion of the hydrogen bond network. The residence time of the water molecules is dependent on the distance from the surface. Its behavior shows a transition from a Brownian to a non-Brownian regime approaching the substrate in agreement with results found in studies of water at contact with globular proteins. (C) 2002 American Institute of Physics.
Gallo, P., Rapinesi, M., Rovere, M. (2002). Confined water in the low hydration regime. THE JOURNAL OF CHEMICAL PHYSICS, 117(1), 369-375 [10.1063/1.1480860].
Confined water in the low hydration regime
GALLO, PAOLA;Rovere M.
2002-01-01
Abstract
Molecular dynamics results on water confined in a silica pore in the low hydration regime are presented. Strong layering effects are found due to the hydrophilic character of the substrate. The local properties of water are studied as function of both temperature and hydration level. The interaction of the thin films of water with the silica atoms induces a strong distortion of the hydrogen bond network. The residence time of the water molecules is dependent on the distance from the surface. Its behavior shows a transition from a Brownian to a non-Brownian regime approaching the substrate in agreement with results found in studies of water at contact with globular proteins. (C) 2002 American Institute of Physics.I documenti in IRIS sono protetti da copyright e tutti i diritti sono riservati, salvo diversa indicazione.
