Editing Liquid phase density maximum
Jump to navigation
Jump to search
The edit can be undone. Please check the comparison below to verify that this is what you want to do, and then publish the changes below to finish undoing the edit.
Latest revision | Your text | ||
Line 1: | Line 1: | ||
There are a number of liquids that have a density maximum in the liquid phase. The most celebrated is that of [[water]] | {{Stub-general}} | ||
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 (Ref. ??), liquid [[gallium]] at ??K (Ref. ??), [[silica]] at ??K (Ref. ??), and [[tellurium]] at ??K (Ref. ??). | |||
==Historical papers== | |||
Water: | |||
#[http://dx.doi.org/10.1098/rstl.1792.0026 Charles Blagden and George Gilpin "Supplementary Report on the Best Method of Proportioning the Excise upon Spirituous Liquors", Philosophical Transactions of the Royal Society of London '''82''' pp. 425-455 (1792)] | |||
==Water== | ==Water== | ||
:{| border="1" | :{| border="1" | ||
Line 5: | Line 9: | ||
| System || model || <math>T_{\mathrm {TMD}}</math> (K) || density at <math>T=T_{\mathrm {TMD}}</math> (Kg/m<sup>3</sup>) || Reference | | 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 || 277.134 || 999.972 || | | H<sub>2</sub>O || experimental || 277.134 || 999.972 ||Ref. 1 | ||
|- | |- | ||
| D<sub>2</sub>O || experimental || 284.335 || 1106.00 || | | D<sub>2</sub>O || experimental || 284.335 || 1106.00 || Ref. 1 | ||
|- | |- | ||
| T<sub>2</sub>O || experimental || 286.553 || 1215. | | T<sub>2</sub>O || experimental || 286.553 || 1215.01 ||Ref. 1 | ||
|- | |- | ||
| H<sub>2</sub>O || [[ST2]] || 300 || || | | H<sub>2</sub>O || [[ST2]] || 300 || ||Ref. 2 | ||
|- | |- | ||
| H<sub>2</sub>O || [[TIPS2]] || 298 <math>\pm</math> 25 || || | | H<sub>2</sub>O || [[TIPS2]] || 298 <math>\pm</math> 25 || || Ref. 3 | ||
|- | |- | ||
| H<sub>2</sub>O || [[SPC]] || 228 || 1008 || | | H<sub>2</sub>O || [[SPC]] || 228 || 1008 || Ref. 5 | ||
|- | |- | ||
| H<sub>2</sub>O || [[SPC/E]] || 241 || 1012 || | | H<sub>2</sub>O || [[SPC/E]] || 241 || 1012 || Ref. 6 | ||
|- | |- | ||
| H<sub>2</sub>O || [[TIP3P]] || 182 || 1038 || | | H<sub>2</sub>O || [[TIP3P]] || 182 || 1038 || Ref. 5 | ||
|- | |- | ||
| H<sub>2</sub>O || [[TIP4P]] || 253 || 1008 || | | H<sub>2</sub>O || [[TIP4P]] || 253 || 1008 || Ref. 5 | ||
|- | |- | ||
| H<sub>2</sub>O || [[TIP4P/Ew]] || 273 || 1000 || | | H<sub>2</sub>O || [[TIP4P/Ew]] || 273 || 1000 || Ref. 7 | ||
|- | |- | ||
| H<sub>2</sub>O || [[TIP4P/Ice]] || 295 || 994 || | | H<sub>2</sub>O || [[TIP4P/Ice]] || 295 || 994 || Ref. 5 | ||
|- | |- | ||
| H<sub>2</sub>O || [[TIP5P]] || 285 || 989 || | | H<sub>2</sub>O || [[TIP5P]] || 285 || 989 || Ref. 5 | ||
|- | |- | ||
| H<sub>2</sub>O || [[TIP5P-E]] || 282 || 1004 || | | H<sub>2</sub>O || [[TIP5P-E]] || 282 || 1004 || Ref. 8 | ||
|- | |- | ||
| H<sub>2</sub>O || [[TIP4P/2005]] || 278 || 1000.5 || | | H<sub>2</sub>O || [[TIP4P/2005]] || 278 || 1000.5 || Ref. 9 | ||
|- | |- | ||
|} | |} | ||
===References=== | ===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 | |||
#[http://dx.doi.org/10.1063/1.1681229 Frank H. Stillinger and Aneesur Rahman "Improved simulation of liquid water by molecular dynamics", Journal of Chemical Physics '''60''' pp. 1545-1557 (1974)] | |||
#[http://dx.doi.org/10.1063/1.444325 William L. Jorgensen "Revised TIPS for simulations of liquid water and aqueous solutions", Journal of Chemical Physics '''77''' pp. 4156- (1982)] | |||
#[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/10.1080/0892702031000152172 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]] |