Liquid phase density maximum: Difference between revisions
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There are a number of liquids that have a density maximum in the liquid phase. The most celebrated is that of [[water]]. However, liquid [[helium]] 4 also has a maximum at 2.18 K and liquid [[gallium]] at | There are a number of liquids that have a density maximum in the liquid phase. The most celebrated is that of [[water]]. However, liquid [[helium]] 4 also has a maximum at 2.18 K and liquid [[gallium]] at... | ||
==Water== | ==Water== | ||
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| H<sub>2</sub>O || [[TIP5P-E]] || 282 || 1004 || Ref. 8 | | H<sub>2</sub>O || [[TIP5P-E]] || 282 || 1004 || Ref. 8 | ||
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| H<sub>2</sub>O || [[TIP4P/2005]] || 278 || 1000.5 || Ref. 9 | |||
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#[http://dx.doi.org/10.1063/1.467029 S. R. Billeter, P. M. King, and W. F. van Gunsteren "Can the density maximum of water be found by computer simulation?", Journal of Chemical Physics '''100''' pp. 6692 (1994)] | #[http://dx.doi.org/10.1063/1.467029 S. R. Billeter, P. M. King, and W. F. van Gunsteren "Can the density maximum of water be found by computer simulation?", Journal of Chemical Physics '''100''' pp. 6692 (1994)] | ||
#[http://dx.doi.org/10.1063/1.2056539 C. Vega and J. L. F. Abascal "Relation between the melting temperature and the temperature of maximum density for the most common models of water", Journal of Chemical Physics '''123''' 144504 (2005)] | #[http://dx.doi.org/10.1063/1.2056539 C. Vega and J. L. F. Abascal "Relation between the melting temperature and the temperature of maximum density for the most common models of water", Journal of Chemical Physics '''123''' 144504 (2005)] | ||
#[http://dx.doi.org/ | #[http://dx.doi.org/10.1080/0892702031000152172 Taras Bryk and A. D. J. Haymet "The Ice/Water Interface: Density-Temperature Phase Diagram for the SPC/E Model of Liquid Water", Molecular Simulation '''30''' pp. 131-135 (2004)] | ||
#[http://dx.doi.org/10.1063/1.1683075 Hans W. Horn, William C. Swope, Jed W. Pitera, Jeffry D. Madura, Thomas J. Dick, Greg L. Hura and Teresa Head-Gordon "Development of an improved four-site water model for biomolecular simulations: TIP4P-Ew", Journal of Chemical Physics '''120''' pp. 9665-9678 (2004)] | |||
#[http://dx.doi.org/10.1063/1.1652434 Steven W. Rick "A reoptimization of the five-site water potential (TIP5P) for use with Ewald sums", Journal of Chemical Physics '''120''' 6085 (2004)] | |||
#[http://dx.doi.org/10.1063/1.2121687 J. L. F. Abascal and C. Vega "A general purpose model for the condensed phases of water: TIP4P/2005", Journal of Chemical Physics, '''123''' 234505 (2005)] | |||
{{numeric}} | {{numeric}} | ||
[[category: water]] | [[category: water]] | ||
Revision as of 15:38, 10 July 2008
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There are a number of liquids that have a density maximum in the liquid phase. The most celebrated is that of water. However, liquid helium 4 also has a maximum at 2.18 K and liquid gallium at...
Water
System model (K) density at (Kg/m3) Reference H2O experimental 277.134 999.972 Ref. 1 D2O experimental 284.335 1106.00 Ref. 1 T2O experimental 286.553 1215.01 Ref. 1 H2O ST2 300 Ref. 2 H2O TIPS2 298 25 Ref. 3 H2O SPC 228 1008 Ref. 5 H2O SPC/E 241 1012 Ref. 6 H2O TIP3P 182 1038 Ref. 5 H2O TIP4P 253 1008 Ref. 5 H2O TIP4P/Ew 273 1000 Ref. 7 H2O TIP4P/ice 295 994 Ref. 5 H2O TIP5P 285 989 Ref. 5 H2O TIP5P-E 282 1004 Ref. 8 H2O TIP4P/2005 278 1000.5 Ref. 9
References for water
- Felix Franks "Water A matrix of life", Royal Society of Chemistry 2nd Edition (2000) ISBN 978-0-85404-583-9 Table 3.5
- Frank H. Stillinger and Aneesur Rahman "Improved simulation of liquid water by molecular dynamics", Journal of Chemical Physics 60 pp. 1545-1557 (1974)
- William L. Jorgensen "Revised TIPS for simulations of liquid water and aqueous solutions", Journal of Chemical Physics 77 pp. 4156- (1982)
- S. R. Billeter, P. M. King, and W. F. van Gunsteren "Can the density maximum of water be found by computer simulation?", Journal of Chemical Physics 100 pp. 6692 (1994)
- C. Vega and J. L. F. Abascal "Relation between the melting temperature and the temperature of maximum density for the most common models of water", Journal of Chemical Physics 123 144504 (2005)
- Taras Bryk and A. D. J. Haymet "The Ice/Water Interface: Density-Temperature Phase Diagram for the SPC/E Model of Liquid Water", Molecular Simulation 30 pp. 131-135 (2004)
- Hans W. Horn, William C. Swope, Jed W. Pitera, Jeffry D. Madura, Thomas J. Dick, Greg L. Hura and Teresa Head-Gordon "Development of an improved four-site water model for biomolecular simulations: TIP4P-Ew", Journal of Chemical Physics 120 pp. 9665-9678 (2004)
- Steven W. Rick "A reoptimization of the five-site water potential (TIP5P) for use with Ewald sums", Journal of Chemical Physics 120 6085 (2004)
- J. L. F. Abascal and C. Vega "A general purpose model for the condensed phases of water: TIP4P/2005", Journal of Chemical Physics, 123 234505 (2005)
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