Difference between revisions of "TIP4P model of water"

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==Phase diagram==
 
==Phase diagram==
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The following is the phase diagram of the TIP4P model in the [[Phase diagrams: Pressure-temperature plane |pressure-temperature plane]] (adapted from Fig. 9a of <ref name="multiple2">[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)]</ref>).
 
:[[Image:TIP4P_phase_diagram.png|500px]]
 
:[[Image:TIP4P_phase_diagram.png|500px]]
 
===Plastic crystal phases===
 
===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
<ref>[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)]</ref>.
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<ref name="multiple2"> </ref>.
==Melting point==
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===Melting point===
 
The melting point [[ice Ih]]-[[water]] at 1 bar is <math>232(4)~K</math><ref name="multiple1"> [http://dx.doi.org/10.1080/00268970600967948  Carlos Vega, Maria Martin-Conde and Andrzej Patrykiejew "Absence of superheating for ice Ih with a free surface: a new method of determining the melting point of different water models", Molecular Physics '''104''' pp. 3583-3592 (2006)]</ref>.
 
The melting point [[ice Ih]]-[[water]] at 1 bar is <math>232(4)~K</math><ref name="multiple1"> [http://dx.doi.org/10.1080/00268970600967948  Carlos Vega, Maria Martin-Conde and Andrzej Patrykiejew "Absence of superheating for ice Ih with a free surface: a new method of determining the melting point of different water models", Molecular Physics '''104''' pp. 3583-3592 (2006)]</ref>.
 
==Shear viscosity==
 
==Shear viscosity==

Revision as of 11:22, 6 July 2010

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

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

The following is the phase diagram of the TIP4P model in the pressure-temperature plane (adapted from Fig. 9a of [2]).

TIP4P phase diagram.png

Plastic crystal phases

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

Melting point

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

Shear viscosity

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]).

See also

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

References

40px-Stop hand nuvola.svg.png This page contains numerical values and/or equations. If you intend to use ANY of the numbers or equations found in SklogWiki in any way, you MUST take them from the original published article or book, and cite the relevant source accordingly.