Phase diagrams of water: Difference between revisions
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Carl McBride (talk | contribs) (Added section on the phase diagram of the TIP4P/2005 model) |
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=Theoretical= | =Theoretical= | ||
==== | ==TIP4P/2005 model== | ||
[[Image:TIP4P_2005_phase_diagram.png|right|400px]] | |||
The [[Phase diagrams | phase diagram]] of the [[TIP4P/2005]] model is given in a publication by Abascal, Sanz and Vega. | |||
*[http://dx.doi.org/10.1039/b812832d 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 [[pressure]]s in the publication | |||
*[http://dx.doi.org/10.1063/1.3182727 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==== | |||
*[http://dx.doi.org/10.1063/1.2215612 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 crystals | plastic crystal]] phase or phases for water. | |||
*[http://dx.doi.org/10.1039/b812834k 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)] | |||
*[http://dx.doi.org/10.1063/1.3156856 J. L. Aragones and C. Vega "Plastic crystal phases of simple water models", Journal of Chemical Physics '''130''' 244504 (2009)] | |||
==References== | |||
<references/> | |||
#'''Phase diagram of water from computer simulation'''. E. Sanz, C. Vega, J. L. F. Abascal, and L. G. MacDowell, [http://dx.doi.org/10.1103/PhysRevLett.92.255701 Physical Review Letters '''92''': 255701 (2004)] | #'''Phase diagram of water from computer simulation'''. E. Sanz, C. Vega, J. L. F. Abascal, and L. G. MacDowell, [http://dx.doi.org/10.1103/PhysRevLett.92.255701 Physical Review Letters '''92''': 255701 (2004)] | ||
[[category:phase diagrams]] | [[category:phase diagrams]] | ||
[[category:water]] | [[category:water]] | ||
Revision as of 11:57, 5 November 2009
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This article is a 'stub' about water and/or ice. It has no, or next to no, content. It is here at the moment to help form part of the structure of SklogWiki. If you add material to this article, remove the {{Stub-water}} template from this page. |
Experimental
References
- Interactive 3D phase diagrams using Jmol. A. Herráez, R. M. Hanson, and L. Glasser, Journal of Chemical Education 86: 566 (2009) and website
- Water, water, everywhere: Phase diagrams of ordinary water substance. L. Glasser, Journal of Chemical Education 81: 414-418 (2004)
- 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.
and for negative pressures in the publication
Liquid-vapour equilibria
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
- 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)