TIP5P model of water: Difference between revisions
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'''TIP5P''' is a five-site rigid model <ref>[http://dx.doi.org/10.1063/1.481505 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)]</ref> | '''TIP5P''' is a five-site rigid model <ref>[http://dx.doi.org/10.1063/1.481505 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)]</ref> | ||
of [[water]]. | of [[water]]. | ||
==Shear viscosity== | |||
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 '''TIP5P(PIMC)''' model is a variant of the TIP5P model for [[Path integral formulation | path integral]] simulations | The '''TIP5P(PIMC)''' model is a variant of the TIP5P model for [[Path integral formulation | path integral]] simulations | ||
Revision as of 16:12, 5 March 2010
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TIP5P is a five-site rigid model [1] of water.
Shear viscosity
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)
The TIP5P(PIMC) model is a variant of the TIP5P model for path integral simulations [4].
References
- ↑ 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)