Difference between revisions of "TIP4P model of water"

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(Added a section for shear viscosity)
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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)]
 
*[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)]
 +
==Shear viscosity==
 +
The [[shear viscosity]] for the TIP3P 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>).
 
==See also==
 
==See also==
 
The following is a list of [[water models | empirical models]] that build upon this TIP4P model:
 
The following is a list of [[water models | empirical models]] that build upon this TIP4P model:

Revision as of 16:07, 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

Four site water model.png


r_{\mathrm {OH}} (Å) \angleHOH , deg \sigma (Å) \epsilon/k (K) q(O) (e) q(H) (e) q(M) (e) r_{\mathrm {OM}} (Å)
0.9572 104.52 3.154 78.0 0 0.52 -2q(H) 0.15

Phase diagram

TIP4P phase diagram.png

Plastic crystal phases

Recent simulations have demonstrated the existence of plastic crystal phases for the TIP4P model.

Shear viscosity

The shear viscosity for the TIP3P model is 0.494 mPa.s at 298 K and 1 bar [2] (experimental value 0.896 mPa.s [3]).

See also

The following is a list of empirical models that build upon this TIP4P model:

References

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