SPC/FP model of water: Difference between revisions
Jump to navigation
Jump to search
mNo edit summary |
m (Started a parameters section.) |
||
| Line 1: | Line 1: | ||
{{Stub-water}} | {{Stub-water}} | ||
'''SPC/FP''' is a flexible/polarizable version of the [[SPC|simple point charge (SPC)]] model of [[water]]. | '''SPC/FP''' is a flexible/polarizable version of the [[SPC|simple point charge (SPC)]] model of [[water]]. | ||
==Parameters== | |||
[[Image:Thee_site_water_model.png|center|400px]] | |||
{| border="1" | |||
|- | |||
| parameter || value | |||
|- | |||
| <math>\sigma</math> || <math> --- {\mathrm {\AA}}</math> | |||
|- | |||
| <math>\epsilon</math> || <math> --- </math> kJ mol<sup>-1</sup> | |||
|- | |||
| <math>r_\mathrm{OH}</math> || <math> --- \mathrm{\AA}</math> | |||
|- | |||
| <math>\angle_\mathrm{HOH}</math> || <math>---^{\circ}</math> | |||
|- | |||
| <math>q_{\mathrm{O}}</math> || <math>---- e</math> | |||
|- | |||
| <math>q_{\mathrm{H}}</math> || <math>q_{\mathrm{O}}/2</math> (charge neutrality) | |||
|} | |||
==References== | ==References== | ||
#[http://dx.doi.org/10.1021/j100169a031 S. B. Zhu, S. Yao, J. B. Zhu, Surjit Singh, and G. W. Robinson "A flexible/polarizable simple point charge water model", The Journal of Physical Chemistry '''95''' pp. 6211 - 6217 (1991)] | #[http://dx.doi.org/10.1021/j100169a031 S. B. Zhu, S. Yao, J. B. Zhu, Surjit Singh, and G. W. Robinson "A flexible/polarizable simple point charge water model", The Journal of Physical Chemistry '''95''' pp. 6211 - 6217 (1991)] | ||
[[category: water]] | [[category: water]] | ||
[[category: models]] | [[category: models]] | ||
Revision as of 18:25, 8 June 2009
|
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. |
SPC/FP is a flexible/polarizable version of the simple point charge (SPC) model of water.
Parameters
| parameter | value |
| kJ mol-1 | |
| (charge neutrality) |
