Abstract

We present the results of molecular dynamics simulations on water confined in a silica pore of15 Å modelled to mimic the MCM-41 structure. We focus on the dynamical properties of waterfor different hydration levels of the pore. Density profiles show a well-defined double-layerstructure close to the surface. From the analysis of the layers we find that water moleculesclose to the substrate show an anomalous diffusion which is connected to thebehaviour of the residence time distribution. The interaction with the substrateinduces temporal disorder. As a consequence strong deviations are found from theMarkovian processes that usually determine the long-time diffusion properties.The residence time distribution of the water molecules in the inner part of thepore, far from the hydrophilic surface, is compatible with a Markovian process.

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