The mobility of water molecules confined in a silica pore is studied by computer simulation in the low hydration regime, where most of the molecules reside close to the hydrophilic substrate. A layer analysis of the single particle dynamics of these molecules shows an anomalous diffusion with a sublinear behaviour over a long period. This behaviour is strictly connected to the long time decay of the residence time distribution analogous to water in contact with proteins.
Gallo, P., Rovere, M. (2003). Anomalous dynamics of confined water at low hydration. JOURNAL OF PHYSICS. CONDENSED MATTER, 15(45), 7625-7633 [10.1088/0953-8984/15/45/002].
Anomalous dynamics of confined water at low hydration
GALLO, PAOLA;Rovere M.
2003-01-01
Abstract
The mobility of water molecules confined in a silica pore is studied by computer simulation in the low hydration regime, where most of the molecules reside close to the hydrophilic substrate. A layer analysis of the single particle dynamics of these molecules shows an anomalous diffusion with a sublinear behaviour over a long period. This behaviour is strictly connected to the long time decay of the residence time distribution analogous to water in contact with proteins.I documenti in IRIS sono protetti da copyright e tutti i diritti sono riservati, salvo diversa indicazione.
