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The Ice/Water Interface: Density-Temperature Phase Diagram for the SPC/E Model of Liquid Water.

Authors :
Bryk, Taras
Haymet, A.D.J.
Source :
Molecular Simulation. Feb2004, Vol. 30 Issue 2/3, p131-135. 5p.
Publication Year :
2004

Abstract

The density-temperature diagram for SPC/E water at one bar pressure is studied with correct treatment of long-range potentials. The density maximum was obtained at temperature 240 K. The melting temperature for ice I h is estimated to be 225±5 K from the simulations of ice/water coexistence. A local order parameter for ice/water interface is discussed. [ABSTRACT FROM AUTHOR]

Details

Language :
English
ISSN :
08927022
Volume :
30
Issue :
2/3
Database :
Academic Search Index
Journal :
Molecular Simulation
Publication Type :
Academic Journal
Accession number :
11692507
Full Text :
https://doi.org/10.1080/0892702031000152172