Difference between revisions of "TIP4P/2005 model of water"

From SklogWiki
Jump to: navigation, search
Line 1: Line 1:
 +
{{numeric}}
 
The '''TIP4P/2005''' model  is a re-parameterisation of the original [[TIP4P]] potential for simulations of [[water]].
 
The '''TIP4P/2005''' model  is a re-parameterisation of the original [[TIP4P]] potential for simulations of [[water]].
 
TIP4P/2005 is a rigid planar model, having a similar geometry to the Bernal and  Fowler ([[BF]]) model.
 
TIP4P/2005 is a rigid planar model, having a similar geometry to the Bernal and  Fowler ([[BF]]) model.

Revision as of 14:23, 17 September 2007

40px-Stop hand nuvola.svg.png 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.

The TIP4P/2005 model is a re-parameterisation of the original TIP4P potential for simulations of water. TIP4P/2005 is a rigid planar model, having a similar geometry to the Bernal and Fowler (BF) model.

Parameters

r (OH) (Å) \angleHOH , deg \sigma (Å) \epsilon/k (K) q(O) (e) q(H) (e) q(M) (e) r (OM) (Å)
0.9572 104.52 3.1589 93.2 0 0.5564 -2q(H) 0.1546

References