Difference between revisions of "TIP4P model of water"

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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 model of [[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 original [[BF |Bernal and  Fowler model]].
 
==Parameters==
 
==Parameters==
 
[[Image:Four_site_water_model.png‎|center|400px]]
 
[[Image:Four_site_water_model.png‎|center|400px]]

Revision as of 12:50, 9 June 2009

The TIP4P model [1] is a rigid planar four-site interaction potential for water, having a similar geometry to the original Bernal and Fowler 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 3.154 78.0 0 0.52 -2q(H) 0.15

See also

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

References

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