2002/04/05 by Paola Gallo, P. Gallo, M. Rapinesi +1
Chemistry · Engineering · Materials Science · Physics and Astronomy · #Brownian dynamics #Brownian motion #Chemical physics #Chemistry #Confined water #Geology #Hydrogen bond #Layering #Material Dynamics and Properties #Materials science #Molecule #Organic chemistry #Phase Equilibria and Thermodynamics #Physics #Spectroscopy and Quantum Chemical Studies #Substrate (aquarium) #cond-mat.soft
paper · pdf · doi:10.1063/1.1480860
published as J. Chem. Phys. 117, 369 (2002) · 7 pages with 12 figures (RevTeX4). To be published on J. Chem. Phys
arxiv created 2002/04/05 · openalex publication_date 2002/07/01 · arxiv updated 2009/11/30 · openalex created_date 2025/10/10 · openalex updated_date 2026/08/05
Molecular dynamics results on water confined in a silica pore in the low hydration regime are presented. Strong layering effects are found due to the hydrophilic character of the substrate. The local properties of water are studied as function of both temperature and hydration level. The interaction of the thin films of water with the silica atoms induces a strong distortion of the hydrogen bond network. The residence time of the water molecules is dependent on the distance from the surface. Its behavior shows a transition from a Brownian to a non-Brownian regime approaching the substrate in agreement with results found in studies of water at contact with globular proteins.