Difference between revisions of "TIP4P model of water"

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m (Started a section on the plastic crystal phases.)
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| 0.9572 || 104.52 ||  3.154 || 78.0 || 0 || 0.52 || -2q(H) || 0.15
 
| 0.9572 || 104.52 ||  3.154 || 78.0 || 0 || 0.52 || -2q(H) || 0.15
 
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==Plastic crystal phases==
+
==Phase diagram==
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[[Image:TIP4P_phase_diagram.png|right|400px]]
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===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)]
 
*[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)]

Revision as of 14:12, 7 July 2009

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.

See also

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

References

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