TIP4P model of water: Difference between revisions

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m (→‎Shear viscosity: Corrected name of model)
m (→‎Plastic crystal phases: Changed a reference to Cite format)
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[[Image:TIP4P_phase_diagram.png|right|400px]]
[[Image:TIP4P_phase_diagram.png|right|400px]]
===Plastic crystal phases===
===Plastic crystal phases===
Recent simulations have demonstrated the existence of  [[Plastic crystals | plastic crystal]] phases for the TIP4P model.
Recent simulations have demonstrated the existence of  [[Plastic crystals | plastic crystal]] phases for the TIP4P model
*[http://dx.doi.org/10.1063/1.3156856  J. L. Aragones and C. Vega "Plastic crystal phases of simple water models", Journal of Chemical Physics '''130''' 244504 (2009)]
<ref>[http://dx.doi.org/10.1063/1.3156856  J. L. Aragones and C. Vega "Plastic crystal phases of simple water models", Journal of Chemical Physics '''130''' 244504 (2009)]</ref>.
 
==Shear viscosity==
==Shear viscosity==
The [[shear viscosity]] for the TIP4P model is 0.494 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 TIP4P model is 0.494 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>).

Revision as of 15:21, 5 March 2010

The TIP4P model [1] is a rigid planar four-site interaction potential for water, having a similar geometry to the original Bernal and Fowler model.

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:

References

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.