TIP4P model of water: Difference between revisions
Jump to navigation
Jump to search
Carl McBride (talk | contribs) m (→Plastic crystal phases: Changed a reference to Cite format) |
Carl McBride (talk | contribs) m (Mention of year of BF model) |
||
| Line 1: | Line 1: | ||
The '''TIP4P''' model | The '''TIP4P''' model | ||
<ref>[http://dx.doi.org/10.1063/1.445869 William L. Jorgensen, Jayaraman Chandrasekhar, Jeffry D. Madura, Roger W. Impey and Michael L. Klein "Comparison of simple potential functions for simulating liquid water", Journal of Chemical Physics '''79''' pp. 926-935 (1983)]</ref> | <ref>[http://dx.doi.org/10.1063/1.445869 William L. Jorgensen, Jayaraman Chandrasekhar, Jeffry D. Madura, Roger W. Impey and Michael L. Klein "Comparison of simple potential functions for simulating liquid water", Journal of Chemical Physics '''79''' pp. 926-935 (1983)]</ref> | ||
is a rigid planar four-site interaction potential for [[water]], having a similar geometry to the | is a rigid planar four-site interaction potential for [[water]], having a similar geometry to the [[BF model of water |Bernal and Fowler model]], which was proposed in 1933. | ||
==Parameters== | ==Parameters== | ||
[[Image:Four_site_water_model.png|center|400px]] | [[Image:Four_site_water_model.png|center|400px]] | ||
Revision as of 16:32, 5 July 2010
The TIP4P model [1] is a rigid planar four-site interaction potential for water, having a similar geometry to the Bernal and Fowler model, which was proposed in 1933.
Parameters
| (Å) | HOH , deg | (Å) | (K) | q(O) (e) | q(H) (e) | q(M) (e) | (Å) |
| 0.9572 | 104.52 | 3.154 | 78.0 | 0 | 0.52 | -2q(H) | 0.15 |
Phase diagram
Plastic crystal phases
Recent simulations have demonstrated the existence of plastic crystal phases for the TIP4P model [2].
Shear viscosity
The shear viscosity for the TIP4P model is 0.494 mPa.s at 298 K and 1 bar [3] (experimental value 0.896 mPa.s [4]).
See also
The following is a list of empirical models that build upon this TIP4P model:
- TIP4F
- TIP4P
- TIP4P/2005
- TIP4P-Ew
- TIP4P/FQ
- TIP4P-HB
- TIP4P/Ice
- TIP4P-pol
- TIP4PQ/2005
- TIP4P-QDP
- TIP4P-QDP-LJ
References
- ↑ William L. Jorgensen, Jayaraman Chandrasekhar, Jeffry D. Madura, Roger W. Impey and Michael L. Klein "Comparison of simple potential functions for simulating liquid water", Journal of Chemical Physics 79 pp. 926-935 (1983)
- ↑ J. L. Aragones and C. Vega "Plastic crystal phases of simple water models", Journal of Chemical Physics 130 244504 (2009)
- ↑ Miguel Angel González and José L. F. Abascal "The shear viscosity of rigid water models", Journal of Chemical Physics 132 096101 (2010)
- ↑ Kenneth R. Harris and Lawrence A. Woolf "Temperature and Volume Dependence of the Viscosity of Water and Heavy Water at Low Temperatures", Journal of Chemical & Engineering Data 49 pp. 1064-1069 (2004)
|
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. |