Phase diagrams of water

Experimental

References

1. Interactive 3D phase diagrams using Jmol. A. Herráez, R. M. Hanson, and L. Glasser, Journal of Chemical Education 86: 566 (2009) and website
2. Water, water, everywhere: Phase diagrams of ordinary water substance. L. Glasser, Journal of Chemical Education 81: 414-418 (2004)
3. The phase diagram of water to 45,000 kg/cm². P. W. Bridgman, Journal of Chemical Physics 5: 964-966 (1937)

Theoretical

TIP4P/2005 model

The phase diagram of the TIP4P/2005 model is given in a publication by Abascal, Sanz and Vega.

• Jose L. F. Abascal, Eduardo Sanz and Carlos Vega "Triple points and coexistence properties of the dense phases of water calculated using computer simulation", Physical Chemistry Chemical Physics 11 pp. 556-562 (2009)

and for negative pressures in the publication

• M. M. Conde, C. Vega, G. A. Tribello, and B. Slater "The phase diagram of water at negative pressures: Virtual ices", Journal of Chemical Physics 131 034510 (2009)

Liquid-vapour equilibria

• C. Vega, J. L. F. Abascal and I. Nezbeda "Vapor-liquid equilibria from the triple point up to the critical point for the new generation of TIP4P-like models: TIP4P/Ew, TIP4P/2005, and TIP4P/ice" Journal of Chemical Physics 125 034503 (2006)

Plastic crystal phases

Recent simulations have suggested the possibility of a plastic crystal phase or phases for water.

• J. L. Aragones, M. M. Conde, E. G. Noya and C. Vega "The phase diagram of water at high pressures as obtained by computer simulations of the TIP4P/2005 model: the appearance of a plastic crystal phase", Physical Chemistry Chemical Physics 11 pp. 543- (2009)
• J. L. Aragones and C. Vega "Plastic crystal phases of simple water models", Journal of Chemical Physics 130 244504 (2009)

References

1. Phase diagram of water from computer simulation. E. Sanz, C. Vega, J. L. F. Abascal, and L. G. MacDowell, Physical Review Letters 92: 255701 (2004)