Abstract
The structure of water on muscovite (001) surfaces has been investigated by molecular dynamics (MD) simulations. X-ray reflectivity profiles highly reflecting the interfacial structure were directly calculated and compared with those of experiments. The direct comparison has validated the usefulness of MD simulations to understand the real interfacial structure of mica-water system. We observed five distinguished peaks in the density profiles of oxygen of water molecules and these peaks are attributable to the water molecules directly adsorbed on mica, hydrated to K^+ ions on mica, and ordered due to hydrogen bonds with hydrated K^+ ions.
