Dynamic Crossover in Supercooled Confined Water: Understanding Bulk Properties through Confinement

• Published in: The journal of physical chemistry letters Vol. 1; no. 4; pp. 729 - 733
• Main Authors: Gallo, P, Rovere, M, Chen, S.-H
• Format: Journal Article
• Language: English
• Published: American Chemical Society 18.02.2010
• Subjects: Statistical Mechanics, Thermodynamics, Medium Effects

We present here molecular dynamics simulations of deeply supercooled SPC/E water confined in a cylindrical pore of MCM-41 silica material. By a layer analysis of the tag particle density correlators, we are able to extract the α-relaxation time of the mobile portion of the confined water. This relax...