Abstract
We have used a polarizable water model to study the behaviour of a fluid in contact with a smooth wall at room temperature. Structural ordering is similar to that of non-polarizable models; only the first layer of dipoles is affected; diffusion along the walls is reduced and the reorientational correlation time decreases for waters in contact with the wall. Polarization effects are of secondary importance compared to the electrostatics in determining the properties of interfacial waters at a hydrophobic surface.
Published Version
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