Difference between revisions of "TIP4P model of water"

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The '''TIP4P''' is a rigid planar model of [[water]], having a similar geometry to the Bernal and  Fowler ([[BF]]) model.
 
The '''TIP4P''' is a rigid planar model of [[water]], having a similar geometry to the Bernal and  Fowler ([[BF]]) model.
 
==Parameters==
 
==Parameters==
[[Image:Water_empirical1.png|center|300px]]
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[[Image:Four_site_water_model.png‎|center|400px]]
  
  

Revision as of 18:11, 8 June 2009

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The TIP4P is a rigid planar model of water, having a similar geometry to the Bernal and Fowler (BF) 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

References

  1. 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)