Physics – Condensed Matter – Soft Condensed Matter
Scientific paper
2001-07-30
J. Chem. Phys. 116, 342 (2002)
Physics
Condensed Matter
Soft Condensed Matter
6 pages, 8 figures included in the text, one figure added, changes in the text
Scientific paper
10.1063/1.1423662
A Molecular Dynamics simulation of the microscopic structure of water confined in a silica pore is presented. A single cavity in the silica glass has been modeled as to reproduce the main features of the pores of real Vycor glass. A layer analysis of the site-site radial distribution functions evidence the presence in the pore of two subsets of water molecules with different microscopic structure. Molecules which reside in the inner layer, close to the center of the pore, have the same structure as bulk water but at a temperature of 30 K higher. On the contrary the structure of the water molecules in the outer layer, close to the substrate, is strongly influenced by the water-substrate hydrophilic interaction and sensible distortions of the H-bond network and of the orientational correlations between neighboring molecules show up. Lowering the hydration has little effect on the structure of water in the outer layer. The consequences on experimental determinations of the structural properties of water in confinement are discussed.
Gallo Paola
Ricci Maria Antonietta
Rovere Marco
No associations
LandOfFree
Layer Analysis of the Structure of Water Confined in Vycor Glass does not yet have a rating. At this time, there are no reviews or comments for this scientific paper.
If you have personal experience with Layer Analysis of the Structure of Water Confined in Vycor Glass, we encourage you to share that experience with our LandOfFree.com community. Your opinion is very important and Layer Analysis of the Structure of Water Confined in Vycor Glass will most certainly appreciate the feedback.
Profile ID: LFWR-SCP-O-447610