TIP4P model of water: Difference between revisions
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Carl McBride (talk | contribs) m (Started a section on the plastic crystal phases.) |
Carl McBride (talk | contribs) m (Started a section on the phase diagram) |
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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== | ||
[[Image:TIP4P_phase_diagram.png|right|400px]] | |||
===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 13:12, 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
| (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.
See also
The following is a list of empirical models that build upon this TIP4P model:
References
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