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TIP4P/Ice model of water

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Revision as of 16:55, 10 June 2009 by Nice and Tidy (talk | contribs) (TIP4P/ice moved to TIP4P/Ice: Corrected the name as per the publication.)
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The TIP4P/ice model is a re-parameterisation of the original TIP4P potential for simulations of ice phases [1]. TIP4P/ice is a rigid planar model, having a similar geometry to the Bernal and Fowler (BF) 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 3.1668 106.1 0 0.5897 -2q(H) 0.1577

Liquid-vapour equilibria

References

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