Carl McBride: Created page with "The '''TIP4P-I''' (interpolated) model [http://dx.doi.org/10.1016/j.molliq.2006.08.018 Ariel A. Chialvo, Albert Bartók and András Baranyai "On the re-engineered TIP4P wate..."

2011-01-20T12:24:35Z

Created page with "The '''TIP4P-I''' (interpolated) model <ref>[http://dx.doi.org/10.1016/j.molliq.2006.08.018 Ariel A. Chialvo, Albert Bartók and András Baranyai "On the re-engineered TIP4P wate..."

New page

The '''TIP4P-I''' (interpolated) model <ref>[http://dx.doi.org/10.1016/j.molliq.2006.08.018 Ariel A. Chialvo, Albert Bartók and András Baranyai "On the re-engineered TIP4P water models for the prediction of vapor–liquid equilibrium", Journal of Molecular Liquids '''129''' pp. 120-124 (2006)]</ref>
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==
The TIP4P-I model consists of a [[Lennard-Jones model | Lennard-Jones site]] for the [[oxygen]] atom, and three charge sites.
::[[Image:Four_site_water_model.png‎|400px]]

{| style="width:60%; height:100px" border="1"
|-
| <math>r_{\mathrm {OH}}</math> (Å)|| <math>\angle</math>HOH , deg|| <math>\sigma</math> (Å)|| <math>\epsilon/k</math> (K)|| q(O) (e) || q(H) (e) || q(M) (e) || <math>r_{\mathrm {OM}}</math> (Å)
|-
| 0.9572 || 104.52 || 3.1630 || 93.90 || 0 || 0.5673 || -2q(H) || 0.1556
|}

==References==
<references/>
[[category:models]]
[[category:water]]
{{Numeric}}

TIP4P-I - Revision history

Carl McBride: Created page with "The '''TIP4P-I''' (interpolated) model [http://dx.doi.org/10.1016/j.molliq.2006.08.018 Ariel A. Chialvo, Albert Bartók and András Baranyai "On the re-engineered TIP4P wate..."