TIP4P model of water: Difference between revisions
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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]] | |||
{| style="width:75%; height:100px" border="1" | {| style="width:75%; 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 || 3.154 || 78.0 || 0 || 0.52 || -2q(H) || 0.15 | | 0.9572 || 104.52 || 3.154 || 78.0 || 0 || 0.52 || -2q(H) || 0.15 |
Revision as of 11:38, 14 February 2008
The TIP4P is a rigid planar model of water, having a similar geometry to the Bernal and Fowler (BF) model.
Parameters
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(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 |