TIP5P-E model of water: Difference between revisions
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Carl McBride (talk | contribs) (New page: {{Stub-water}} The '''TIP5P-E''' model is a version of the TIP5P model, re-parameterised for use with Ewald sums. The following table of parameters is taken from Ref. 1 Table I. :{...) |
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The '''TIP5P-E''' model is a version of the [[TIP5P]] model, re-parameterised for use with [[Ewald sum]]s. The following table of parameters is taken from | The '''TIP5P-E''' model is a version of the [[TIP5P]] model, re-parameterised for use with [[Ewald sum]]s. The following table of parameters is taken from Table I of | ||
<ref>[http://dx.doi.org/10.1063/1.1652434 Steven W. Rick "A reoptimization of the five-site water potential (TIP5P) for use with Ewald sums", Journal of Chemical Physics '''120''' 6085 (2004)]</ref>. | |||
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| 3.097 || 0.178 || 0.241 | | 3.097 || 0.178 || 0.241 | ||
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==Vapour-liquid equilibria== | |||
See <ref>[http://dx.doi.org/10.1021/jp0495242 Martin Lísal, Ivo Nezbeda, and William R. Smith "Vapor−Liquid Equilibria in Five-Site (TIP5P) Models of Water", Journal of Physical Chemistry B '''108''' pp. 7412–7414 (2004)]</ref>. | |||
==References== | ==References== | ||
<references/> | |||
[[category: water]] | [[category: water]] | ||
[[category: models]] | [[category: models]] | ||
Revision as of 17:56, 13 May 2009
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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. |
The TIP5P-E model is a version of the TIP5P model, re-parameterised for use with Ewald sums. The following table of parameters is taken from Table I of [1].
(Å) (kcal.mol-1) q(H) (e) 3.097 0.178 0.241
Vapour-liquid equilibria
See [2].
References
- ↑ Steven W. Rick "A reoptimization of the five-site water potential (TIP5P) for use with Ewald sums", Journal of Chemical Physics 120 6085 (2004)
- ↑ Martin Lísal, Ivo Nezbeda, and William R. Smith "Vapor−Liquid Equilibria in Five-Site (TIP5P) Models of Water", Journal of Physical Chemistry B 108 pp. 7412–7414 (2004)