Effects of confinement on static and dynamical properties of water
Dipartimento di Fisica “E. Amaldi”, Universitá Roma Tre, INFM Unitá Roma Tre, Italy
2 DEMOCRITOS National Simulation Center, Via della Vasca Navale 84, 00146, Roma, Italy
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Molecular-dynamics results on water confined in a silica pore are reviewed and discussed in connection with experiments performed on water in Vycor and with studies of water in contact with proteins. The properties of confined water are studied as a function of both temperature and hydration level. The interaction of water in the film close to the substrate with the silica atoms induces a strong distortion of the hydrogen bond network. At high hydration levels a double dynamical regime is observed. At low hydration an anomalous diffusion is found upon supercooling with a transition from a Brownian to a non-Brownian regime on approaching the substrate in agreement with results found in studies of water in contact with globular proteins.
© EDP Sciences, Società Italiana di Fisica, and Springer-Verlag, 2003