TIP4P model of water

From SklogWiki
Revision as of 15:08, 28 December 2007 by Carl McBride (talk | contribs) (See also)
Jump to: navigation, search
Water icon.png This article is a 'stub' about water and/or ice. It has no, or next to no, content. It is here at the moment to help form part of the structure of SklogWiki. If you add material to this article, remove the {{Stub-water}} template from this page.
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 is a rigid planar model of water, 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 3.154 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)