Molecular dynamics study of the glass transition in confined water

A molecular dynamics simulation of SPC/E water confined in a Silica pore is presented. The pore has been constructed to reproduce the average properti es of a pore of Vycor glass. Due to the confinement and to the presence of a strong hydrophilic surface, the dynamic behaviour of the liquid appears t o be strongly dependent on the hydration level. The approach to the glass t ransition of confined water is investigated on lowering hydration and on su percooling in the framework of Mode Coupling Theories. Ar higher hydrations two quite distinct subsets of water molecules are detectable. Those belong ing to the first layer close to the substrate suffer a severe slowing down, while the remaining ones display a scenario typical of supercooled liquids approaching the kinetic glass transition.