18 citations · 18 across the 1 of their papers we have counts for
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Anomalous dynamics of confined water at low hydration
P. Gallo, M. Rovere
The mobility of water molecules confined in a silica pore is studied by computer simulation in the low hydration regime, where most of the molecules reside close to the hydrophilic…
Slow dynamics of a confined supercooled binary mixture II: Q space analysis
P. Gallo, R. Pellarin, M. Rovere
We report the analysis in the wavevector space of the density correlator of a Lennard Jones binary mixture confined in a disordered matrix of soft spheres upon supercooling. In spi…
Double dynamical regime of confined water
P. Gallo, M. Rovere
The Van Hove self correlation function of water confined in a silica pore is calculated from Molecular Dynamics trajectories upon supercooling. At long time in the relaxation r…
Computer simulation of structural properties of dilute aqueous solutions of argon at supercritical conditions
V. De Grandis, P. Gallo, M. Rovere
Computer simulation studies of aqueous solutions of argon are performed from ambient to supercritical conditions by using a recent polarizable potential model (BSV) and the non pol…
Molecular dynamics study of the glass transition in confined water
P. Gallo, M. Rovere
A molecular dynamics simulation of SPC/E water confined in a Silica pore is presented. The pore has been constructed to reproduce the average properties of a pore of Vycor glass. D…
Modifications of the hydrogen bond network of liquid water in a cylindrical SiO_2 pore
C. Hartnig, W. Witschel, E. Spohr +3
We present results of molecular dynamics simulations of water confined in a silica pore. A cylindrical cavity is created inside a vitreous silica cell with geometry and size simila…