Physics – Condensed Matter – Statistical Mechanics
Scientific paper
2005-03-23
Physics
Condensed Matter
Statistical Mechanics
18 pages, 19 figures
Scientific paper
10.1063/1.1992481
Liquid-liquid and liquid-vapor coexistence regions of various water models were determined by MC simulations of isotherms of density fluctuation restricted systems and by Gibbs ensemble MC simulations. All studied water models show multiple liquid-liquid phase transitions in the supercooled region: we observe two transitions of the TIP4P, TIP5P and SPCE model and three transitions of the ST2 model. The location of these phase transitions with respect to the liquid-vapor coexistence curve and the glass temperature is highly sensitive to the water model and its implementation. We suggest, that the apparent thermodynamic singularity of real liquid water in the supercooled region at about 228 K is caused by an approach to the spinodal of the first (lowest density) liquid-liquid phase transition. The well known density maximum of liquid water at 277 K is related to the second liquid-liquid phase transition, which is located at positive pressures with a critical point close to the maximum. A possible order parameter and the universality class of liquid-liquid phase transitions in one-component fluids is discussed.
Brovchenko Ivan
Geiger Alfons
Oleinikova Alla
No associations
LandOfFree
Liquid-liquid phase transitions in supercooled water studied by computer simulations of various water models 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 Liquid-liquid phase transitions in supercooled water studied by computer simulations of various water models, we encourage you to share that experience with our LandOfFree.com community. Your opinion is very important and Liquid-liquid phase transitions in supercooled water studied by computer simulations of various water models will most certainly appreciate the feedback.
Profile ID: LFWR-SCP-O-134690