Liquid phase density maximum: Difference between revisions

From SklogWiki
Jump to navigation Jump to search
(→‎Water: Added some more TMDs)
(→‎Water: Updated references)
 
(3 intermediate revisions by the same user not shown)
Line 5: Line 5:
| 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 ||<ref name="Franks">Felix Franks "Water A matrix of life", Royal Society of Chemistry 2nd Edition (2000) ISBN 978-0-85404-583-9  Table 3.5</ref>
| H<sub>2</sub>O || experimental  ||  277.134 || 999.972 ||<ref name="Franks">[http://dx.doi.org/10.1021/je60032a018 G. S. Kell "Precise representation of volume properties of water at one atmosphere", Journal of Chemical & Engineering Data  '''12''' pp. 66-69 (1967)] </ref>
|-   
|-   
| D<sub>2</sub>O || experimental  ||  284.35 || 1106.00 || <ref>[http://dx.doi.org/10.1063/1.555661 P. G. Hill, R. D. Chris MacMillan, and V. Lee "A Fundamental Equation of State for Heavy Water", Journal of Physical and Chemical Reference Data '''11''' pp. 1-14 (1982)]</ref>
| D<sub>2</sub>O || experimental  ||  284.335 || 1106.00 || <ref>[http://dx.doi.org/10.1063/1.555661 P. G. Hill, R. D. Chris MacMillan, and V. Lee "A Fundamental Equation of State for Heavy Water", Journal of Physical and Chemical Reference Data '''11''' pp. 1-14 (1982)]</ref>
|-   
|-   
| T<sub>2</sub>O || experimental  ||  286.553 || 1215.01 || <ref name="Franks"> </ref>
| T<sub>2</sub>O || experimental  ||  286.553 || 1215.02 || <ref>[http://dx.doi.org/10.1021/j100783a024 Maxwell Goldblatt "The Density of Liquid T2O", Journal of Physical Chemistry '''68''' pp. 147-151 (1964)]</ref>
|-   
|-   
| H<sub>2</sub>O || [[ST2]]  ||  300  || || <ref>[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)]</ref>
| H<sub>2</sub>O || [[ST2]]  ||  300  || || <ref>[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)]</ref>
Line 34: Line 34:
|-
|-
| H<sub>2</sub>O || [[TIP4PQ/2005]]  ||  280 ||  999.2  || <ref>[http://dx.doi.org/10.1063/1.3239471 E. G. Noya, C. Vega, L. M. Sesé, and R. Ramírez "Quantum effects on the maximum in density of water as described by the TIP4PQ/2005 model", Journal of Chemical Physics '''131''' 124518 (2009)]</ref>
| H<sub>2</sub>O || [[TIP4PQ/2005]]  ||  280 ||  999.2  || <ref>[http://dx.doi.org/10.1063/1.3239471 E. G. Noya, C. Vega, L. M. Sesé, and R. Ramírez "Quantum effects on the maximum in density of water as described by the TIP4PQ/2005 model", Journal of Chemical Physics '''131''' 124518 (2009)]</ref>
|-
| H<sub>2</sub>O || [[TTM2.1-F model of water | TTM2.1-F]]  ||  273 ||  1038  || <ref>[http://dx.doi.org/10.1063/1.2759484  Francesco Paesani, Satoru Iuchi, and Gregory A. Voth "Quantum effects in liquid water from an ab initio-based polarizable force field", Journal of Chemical Physics '''127''' 074506 (2007)]</ref>
|-
|-
| H<sub>2</sub>O || [[COS model of water |COS/B2]]  ||  170 ||  1076  || <ref name "KissBaranyai2012>[http://dx.doi.org/10.1063/1.4746419  Péter T. Kiss and András Baranyai "Density maximum and polarizable models of water", Journal of Chemical Physics '''137''' 084506 (2012)]</ref>
| H<sub>2</sub>O || [[COS model of water |COS/B2]]  ||  170 ||  1076  || <ref name "KissBaranyai2012>[http://dx.doi.org/10.1063/1.4746419  Péter T. Kiss and András Baranyai "Density maximum and polarizable models of water", Journal of Chemical Physics '''137''' 084506 (2012)]</ref>
Line 44: Line 46:
|-
|-
| H<sub>2</sub>O || [[SWM4-DP model of water | SWM4-NDP]]  ||  152 ||  1048  || <ref name "KissBaranyai2012> </ref>
| H<sub>2</sub>O || [[SWM4-DP model of water | SWM4-NDP]]  ||  152 ||  1048  || <ref name "KissBaranyai2012> </ref>
|-
| H<sub>2</sub>O || [[BK water models | BKd1]]  ||  251 ||  1013  || <ref name "KissBaranyai2012> </ref>
|-
| H<sub>2</sub>O || [[BK water models | BKd2]]  ||  237 ||  1018  || <ref name "KissBaranyai2012> </ref>
|-
| H<sub>2</sub>O || [[BK water models | BKd3]]  ||  278 ||  999  || <ref name "KissBaranyai2012> </ref>
|-
|-
|}
|}

Latest revision as of 15:01, 22 November 2012

There are a number of liquids that have a density maximum in the liquid phase. The most celebrated is that of water, which was first reported in 1792[1]. However, liquid helium 4 also has a maximum at 2.18 K (Ref. ??), liquid gallium at ??K (Ref. ??), silica at ??K (Ref. ??), tellurium (Ref. [2]), and germanium at ?? (Ref. ??). Bismuth appears not to have a density maximum within the liquid phase, however the "low temperature" liquid does appear to be denser than the "high temperature" solid (Ref. [3]),

Water[edit]

System model (K) density at (Kg/m3) Reference
H2O experimental 277.134 999.972 [4]
D2O experimental 284.335 1106.00 [5]
T2O experimental 286.553 1215.02 [6]
H2O ST2 300 [7]
H2O TIPS2 298 25 [8]
H2O SPC 228 1008 [9]
H2O SPC/E 241 1012 [10]
H2O TIP3P 182 1038 [9]
H2O TIP4P 253 1008 [9]
H2O TIP4P/Ew 273 1000 [11]
H2O TIP4P/Ice 295 994 [9]
H2O TIP5P 285 989 [9]
H2O TIP5P-E 282 1004 [12]
H2O TIP4P/2005 278 1000.5 [13]
H2O TIP4PQ/2005 280 999.2 [14]
H2O TTM2.1-F 273 1038 [15]
H2O COS/B2 170 1076 [16]
H2O COS/G2 255 1013 Cite error: Invalid <ref> tag; refs with no name must have content
H2O COS/G3 195 1042 Cite error: Invalid <ref> tag; refs with no name must have content
H2O SWM4-DP 235 1017 Cite error: Invalid <ref> tag; refs with no name must have content
H2O SWM4-NDP 152 1048 Cite error: Invalid <ref> tag; refs with no name must have content
H2O BKd1 251 1013 Cite error: Invalid <ref> tag; refs with no name must have content
H2O BKd2 237 1018 Cite error: Invalid <ref> tag; refs with no name must have content
H2O BKd3 278 999 Cite error: Invalid <ref> tag; refs with no name must have content

References[edit]

  1. ↑ 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)
  2. ↑ Nobumasa Funamori and Kazuhiko Tsuji "Structural transformation of liquid tellurium at high pressures and temperatures", Physical Review B 65 014105 (2001)
  3. ↑ S. V. Stankus, R. A. Khairulin, A. G. Mozgovoi, V. V. Roshchupkin and M. A. Pokrasin "An Experimental Investigation of the Density of Bismuth in the Condensed State in a Wide Temperature Range", High Temperature 43 pp. 368-378 (2005)
  4. ↑ G. S. Kell "Precise representation of volume properties of water at one atmosphere", Journal of Chemical & Engineering Data 12 pp. 66-69 (1967)
  5. ↑ P. G. Hill, R. D. Chris MacMillan, and V. Lee "A Fundamental Equation of State for Heavy Water", Journal of Physical and Chemical Reference Data 11 pp. 1-14 (1982)
  6. ↑ Maxwell Goldblatt "The Density of Liquid T2O", Journal of Physical Chemistry 68 pp. 147-151 (1964)
  7. ↑ Frank H. Stillinger and Aneesur Rahman "Improved simulation of liquid water by molecular dynamics", Journal of Chemical Physics 60 pp. 1545-1557 (1974)
  8. ↑ William L. Jorgensen "Revised TIPS for simulations of liquid water and aqueous solutions", Journal of Chemical Physics 77 pp. 4156- (1982)
  9. ↑ 9.0 9.1 9.2 9.3 9.4 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)
  10. ↑ 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)
  11. ↑ 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)
  12. ↑ Steven W. Rick "A reoptimization of the five-site water potential (TIP5P) for use with Ewald sums", Journal of Chemical Physics 120 6085 (2004)
  13. ↑ 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)
  14. ↑ E. G. Noya, C. Vega, L. M. Sesé, and R. Ramírez "Quantum effects on the maximum in density of water as described by the TIP4PQ/2005 model", Journal of Chemical Physics 131 124518 (2009)
  15. ↑ Francesco Paesani, Satoru Iuchi, and Gregory A. Voth "Quantum effects in liquid water from an ab initio-based polarizable force field", Journal of Chemical Physics 127 074506 (2007)
  16. ↑ Péter T. Kiss and András Baranyai "Density maximum and polarizable models of water", Journal of Chemical Physics 137 084506 (2012)
Related reading
This page contains numerical values and/or equations. If you intend to use ANY of the numbers or equations found in SklogWiki in any way, you MUST take them from the original published article or book, and cite the relevant source accordingly.
Retrieved from "http://www.sklogwiki.org/SklogWiki/index.php?title=Liquid_phase_density_maximum&oldid=13207"