TIP4P/Ice model of water

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The TIP4P/Ice model [1] is a re-parameterisation of the TIP4P potential for simulations of ice phases. TIP4P/Ice is a rigid planar model, having a similar geometry to the original Bernal and Fowler model.


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[edit]


Virial coefficients[edit]

The second virial coefficient has been calculated by Chialvo et al [3].

Melting point[edit]

 T_m = 269.8 \pm 0.1 K [4].


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