TIP4P model of water: Difference between revisions

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m (→‎Plastic crystal phases: Changed a reference to Cite format)
m (Mention of year of BF model)
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The '''TIP4P''' model
The '''TIP4P''' model
<ref>[http://dx.doi.org/10.1063/1.445869    William L. Jorgensen, Jayaraman Chandrasekhar, Jeffry D. Madura,      Roger W. Impey and Michael L. Klein "Comparison of simple potential functions for simulating liquid water", Journal of Chemical Physics '''79''' pp. 926-935 (1983)]</ref>
<ref>[http://dx.doi.org/10.1063/1.445869    William L. Jorgensen, Jayaraman Chandrasekhar, Jeffry D. Madura,      Roger W. Impey and Michael L. Klein "Comparison of simple potential functions for simulating liquid water", Journal of Chemical Physics '''79''' pp. 926-935 (1983)]</ref>
is a rigid planar four-site interaction potential for [[water]], having a similar geometry to the original [[BF |Bernal and  Fowler model]].
is a rigid planar four-site interaction potential for [[water]], having a similar geometry to the [[BF model of water |Bernal and  Fowler model]], which was proposed in 1933.
==Parameters==
==Parameters==
[[Image:Four_site_water_model.png‎|center|400px]]
[[Image:Four_site_water_model.png‎|center|400px]]

Revision as of 16:32, 5 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


(Å) HOH , deg (Å) (K) q(O) (e) q(H) (e) q(M) (e) (Å)
0.9572 104.52 3.154 78.0 0 0.52 -2q(H) 0.15

Phase diagram

Plastic crystal phases

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

Shear viscosity

The shear viscosity for the TIP4P model is 0.494 mPa.s at 298 K and 1 bar [3] (experimental value 0.896 mPa.s [4]).

See also

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

References

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.