Liquid phase density maximum: Difference between revisions
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| System || model || | | System || model || <math>T_{\mathrm {TMD}}</math> (K) || density at <math>T=T_{\mathrm {TMD}}</math> (Kg/m<sup>3</sup>) || Reference | ||
|- | |- | ||
| H<sub>2</sub>O || experimental || | | H<sub>2</sub>O || experimental || 277.13 || 999.97 ||Ref. ? | ||
|- | |- | ||
| D<sub>2</sub>O || experimental || 284. | | D<sub>2</sub>O || experimental || 284.33 || || Ref. ? | ||
|- | |- | ||
| T<sub>2</sub>O || experimental || 286.55 || Ref. ? | | T<sub>2</sub>O || experimental || 286.55 || ||Ref. ? | ||
|- | |- | ||
| H<sub>2</sub>O || [[ST2]] || 300 || Ref. 1 | | H<sub>2</sub>O || [[ST2]] || 300 || ||Ref. 1 | ||
|- | |- | ||
| H<sub>2</sub>O || [[TIPS2]] || 298 <math>\pm</math> 25 || Ref. 2 | | H<sub>2</sub>O || [[TIPS2]] || 298 <math>\pm</math> 25 || || Ref. 2 | ||
|- | |- | ||
| H<sub>2</sub>O || [[SPC]] || 228 || | | H<sub>2</sub>O || [[SPC]] || 228 || 1008 || | ||
|- | |- | ||
| H<sub>2</sub>O || [[SPC/E]] || 241 || | | H<sub>2</sub>O || [[SPC/E]] || 241 || 1012 || | ||
|- | |- | ||
| H<sub>2</sub>O || [[TIP3P]] || 182 || | | H<sub>2</sub>O || [[TIP3P]] || 182 || 1038 || | ||
|- | |- | ||
| H<sub>2</sub>O || [[TIP4P]] || 253 || | | H<sub>2</sub>O || [[TIP4P]] || 253 || 1008 || | ||
|- | |- | ||
| H<sub>2</sub>O || [[TIP4P/Ew]] || 273 || | | H<sub>2</sub>O || [[TIP4P/Ew]] || 273 || 1000 || | ||
|- | |- | ||
| H<sub>2</sub>O || [[TIP4P/ice]] || 295 || | | H<sub>2</sub>O || [[TIP4P/ice]] || 295 || 994 || | ||
|- | |- | ||
| H<sub>2</sub>O || [[TIP5P]] || | | H<sub>2</sub>O || [[TIP5P]] || 285 || 989 || | ||
|- | |- | ||
| H<sub>2</sub>O || [[TIP5P-E]] || | | H<sub>2</sub>O || [[TIP5P-E]] || 282 || 1004 || | ||
|- | |- | ||
|} | |} | ||
Revision as of 15:37, 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 277.13 999.97 Ref. ? D2O experimental 284.33 Ref. ? T2O experimental 286.55 Ref. ? H2O ST2 300 Ref. 1 H2O TIPS2 298 25 Ref. 2 H2O SPC 228 1008 H2O SPC/E 241 1012 H2O TIP3P 182 1038 H2O TIP4P 253 1008 H2O TIP4P/Ew 273 1000 H2O TIP4P/ice 295 994 H2O TIP5P 285 989 H2O TIP5P-E 282 1004
References for water
- 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)
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