TIP5P model of water: Difference between revisions
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The [[shear viscosity]] for the TIP5P model is 0.699 mPa.s at 298 K and 1 bar <ref>[http://dx.doi.org/10.1063/1.3330544 Miguel Angel González and José L. F. Abascal "The shear viscosity of rigid water models", Journal of Chemical Physics '''132''' 096101 (2010)]</ref> (experimental value 0.896 mPa.s <ref>[http://dx.doi.org/10.1021/je049918m 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)]</ref>). | The [[shear viscosity]] for the TIP5P model is 0.699 mPa.s at 298 K and 1 bar <ref>[http://dx.doi.org/10.1063/1.3330544 Miguel Angel González and José L. F. Abascal "The shear viscosity of rigid water models", Journal of Chemical Physics '''132''' 096101 (2010)]</ref> (experimental value 0.896 mPa.s <ref>[http://dx.doi.org/10.1021/je049918m 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)]</ref>). | ||
==TIP5P(PIMC)== | ==TIP5P(PIMC)== | ||
The | The TIP5P(PIMC) model is a variant of the TIP5P model for [[Path integral formulation | path integral]] simulations | ||
<ref>[http://dx.doi.org/10.1063/1.1418243 Michael W. Mahoney and William L. Jorgensen "Quantum, intramolecular flexibility, and polarizability effects on the reproduction of the density anomaly of liquid water by simple potential functions", Journal of Chemical Physics '''115''' pp. 10758-10768 (2001)]</ref>. | <ref>[http://dx.doi.org/10.1063/1.1418243 Michael W. Mahoney and William L. Jorgensen "Quantum, intramolecular flexibility, and polarizability effects on the reproduction of the density anomaly of liquid water by simple potential functions", Journal of Chemical Physics '''115''' pp. 10758-10768 (2001)]</ref>. | ||
==Vapor−liquid equilibria== | |||
<ref>[http://dx.doi.org/10.1021/jp0495242 Martin Lísal, Ivo Nezbeda, and William R. Smith "Vapor−Liquid Equilibria in Five-Site (TIP5P) Models of Water", Journal of Physical Chemistry B '''108''' pp. 7412-7414 (2004)]</ref> | |||
==References== | ==References== | ||
<references/> | <references/> | ||
'''Related reading''' | |||
*[http://dx.doi.org/10.1063/1.1514572 Martin Lísal, Jiří Kolafa, and Ivo Nezbeda "An examination of the five-site potential (TIP5P) for water", Journal of Chemical Physics '''117''' pp. 8892-8897 (2002)] | |||
[[category: water]] | [[category: water]] | ||
[[category: models]] | [[category: models]] | ||
Latest revision as of 17:13, 25 November 2010
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TIP5P is a five-site rigid model [1] of water.
Shear viscosity[edit]
The shear viscosity for the TIP5P model is 0.699 mPa.s at 298 K and 1 bar [2] (experimental value 0.896 mPa.s [3]).
TIP5P(PIMC)[edit]
The TIP5P(PIMC) model is a variant of the TIP5P model for path integral simulations [4].
Vapor−liquid equilibria[edit]
References[edit]
- ↑ Michael W. Mahoney and William L. Jorgensen "A five-site model for liquid water and the reproduction of the density anomaly by rigid, nonpolarizable potential functions", Journal of Chemical Physics 112 pp. 8910-8922 (2000)
- ↑ 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)
- ↑ Michael W. Mahoney and William L. Jorgensen "Quantum, intramolecular flexibility, and polarizability effects on the reproduction of the density anomaly of liquid water by simple potential functions", Journal of Chemical Physics 115 pp. 10758-10768 (2001)
- ↑ Martin Lísal, Ivo Nezbeda, and William R. Smith "Vapor−Liquid Equilibria in Five-Site (TIP5P) Models of Water", Journal of Physical Chemistry B 108 pp. 7412-7414 (2004)
Related reading