Bilayer ice and alternate liquid phases of confined water

Zangi, R. and Mark, A. E. (2003) Bilayer ice and alternate liquid phases of confined water. Journal of Chemical Physics, 119 3: 1694-1700. doi:10.1063/1.1580101

Attached Files (Some files may be inaccessible until you login with your UQ eSpace credentials)
Name Description MIMEType Size Downloads
UQ110835_OA.pdf Full text (open access) application/pdf 606.78KB 0

Author Zangi, R.
Mark, A. E.
Title Bilayer ice and alternate liquid phases of confined water
Journal name Journal of Chemical Physics   Check publisher's open access policy
ISSN 0021-9606
Publication date 2003-01-01
Sub-type Article (original research)
DOI 10.1063/1.1580101
Open Access Status File (Publisher version)
Volume 119
Issue 3
Start page 1694
End page 1700
Total pages 7
Place of publication Melville
Publisher Amer Inst Physics
Language eng
Abstract We report results from molecular dynamics simulations of the freezing and melting, at ambient temperature (T=300 K), of a bilayer of liquid water induced by either changing the distance between two confining parallel walls at constant lateral pressure or by lateral compression at constant plate separation. Both transitions are found to be first order. The system studied consisted of 1200 water molecules that were described by the TIP5P model. The in-plane symmetry of the oxygen atoms in the ice bilayer was found to be rhombic with a distorted in-registry arrangement. Above and below the stability region of the ice bilayer we observed two bilayer phases of liquid water that differ in the local ordering at the level of the second shell of nearest neighbors and in the density profile normal to the plane, yielding two liquid phases with different densities. These results suggest the intriguing possibility of a liquid-liquid transition of water, confined to a bilayer, at regions where the ice bilayer is unstable with respect to either of the liquid phases. In addition, we find that under the same conditions, water confined to 3-8 layers remains in the liquid phase (albeit stratification of the transverse density profile) with values of the lateral diffusion coefficient comparable to that of the bulk. (C) 2003 American Institute of Physics.
Keyword Physics, Atomic, Molecular & Chemical
X-ray
Molecular Simulation
Computer-simulation
Neutron-scattering
Hard-spheres
2 Dimensions
Monte-carlo
Transitions
Films
Dynamics
Q-Index Code C1
Q-Index Status Provisional Code
Institutional Status Unknown

Document type: Journal Article
Sub-type: Article (original research)
Collections: Excellence in Research Australia (ERA) - Collection
School of Chemistry and Molecular Biosciences
 
Versions
Version Filter Type
Citation counts: TR Web of Science Citation Count  Cited 80 times in Thomson Reuters Web of Science Article | Citations
Scopus Citation Count Cited 80 times in Scopus Article | Citations
Google Scholar Search Google Scholar
Created: Thu, 20 Sep 2007, 04:19:54 EST