TIP4P model of water

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The TIP4P model [1] is a rigid planar four-site interaction potential for water, having a similar geometry to the Bernal and Fowler model, which was proposed in 1933.

Parameters[edit]

The TIP4P model consists of a Lennard-Jones site for the oxygen atom, and three charge sites.

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[edit]

The following is the phase diagram of the TIP4P model in the pressure-temperature plane (adapted from Fig. 11 of [2]).

TIP4P phase diagram.png

Plastic crystal phases[edit]

Recent simulations have demonstrated the existence of plastic crystal phases for the TIP4P model [2].

Melting point[edit]

The melting point ice Ih-water at 1 bar is 232(4)~K[3].

Shear viscosity[edit]

The shear viscosity for the TIP4P model is 0.494 mPa.s at 298 K and 1 bar [4] (experimental value 0.896 mPa.s [5]).

Virial coefficients[edit]

The second virial coefficient has been calculated by Chialvo et al [6].

See also[edit]

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

References[edit]

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