TIP4P model of water

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Revision as of 11:14, 29 June 2009 by Carl McBride (talk | contribs) (Started a section on the plastic crystal phases.)
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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

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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