SPC model of water: Difference between revisions
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{{Stub-water}} | {{Stub-water}} | ||
The '''simple point charge''' empirical [[models |model]] (SPC) of [[water]]. The molecule is modelled as | The '''simple point charge''' empirical [[models |model]] (SPC) of [[water]]. The molecule is modelled as | ||
a rigid triangle, having the following parameters | a rigid triangle, having the following parameters: | ||
[[Image:Water_empirical1.png|center|300px]] | |||
{| border="1" | {| border="1" | ||
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| <math>\mathcal{l}</math> || 1.000<math>{\mathrm {\AA}}</math> | | <math>\mathcal{l}</math> || 1.000<math>{\mathrm {\AA}}</math> | ||
|- | |- | ||
| <math>\ | | <math>\angle_{\mathrm {HOH}}</math> || <math>109.47^{\circ}</math> | ||
|- | |- | ||
| <math>q_{\mathrm{O}}</math> || -0.82 <math>e</math> | | <math>q_{\mathrm{O}}</math> || -0.82 <math>e</math> | ||
Revision as of 11:33, 14 February 2008
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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 simple point charge empirical model (SPC) of water. The molecule is modelled as a rigid triangle, having the following parameters:
| parameter | value |
| Failed to parse (SVG (MathML can be enabled via browser plugin): Invalid response ("Math extension cannot connect to Restbase.") from server "https://wikimedia.org/api/rest_v1/":): {\displaystyle \sigma} | 3.166Failed to parse (SVG (MathML can be enabled via browser plugin): Invalid response ("Math extension cannot connect to Restbase.") from server "https://wikimedia.org/api/rest_v1/":): {\displaystyle {\mathrm {\AA}}} |
| Failed to parse (SVG (MathML can be enabled via browser plugin): Invalid response ("Math extension cannot connect to Restbase.") from server "https://wikimedia.org/api/rest_v1/":): {\displaystyle \epsilon} | 0.650 kJ mol-1 |
| Failed to parse (SVG (MathML can be enabled via browser plugin): Invalid response ("Math extension cannot connect to Restbase.") from server "https://wikimedia.org/api/rest_v1/":): {\displaystyle \mathcal{l}} | 1.000Failed to parse (SVG (MathML can be enabled via browser plugin): Invalid response ("Math extension cannot connect to Restbase.") from server "https://wikimedia.org/api/rest_v1/":): {\displaystyle {\mathrm {\AA}}} |
| Failed to parse (SVG (MathML can be enabled via browser plugin): Invalid response ("Math extension cannot connect to Restbase.") from server "https://wikimedia.org/api/rest_v1/":): {\displaystyle \angle_{\mathrm {HOH}}} | Failed to parse (SVG (MathML can be enabled via browser plugin): Invalid response ("Math extension cannot connect to Restbase.") from server "https://wikimedia.org/api/rest_v1/":): {\displaystyle 109.47^{\circ}} |
| Failed to parse (SVG (MathML can be enabled via browser plugin): Invalid response ("Math extension cannot connect to Restbase.") from server "https://wikimedia.org/api/rest_v1/":): {\displaystyle q_{\mathrm{O}}} | -0.82 Failed to parse (SVG (MathML can be enabled via browser plugin): Invalid response ("Math extension cannot connect to Restbase.") from server "https://wikimedia.org/api/rest_v1/":): {\displaystyle e} |
References
- H. J. C. Berendsen, J. P. M. Postma, W. F. van Gunsteren and J. Hermans, in: Intermolecular Forces (B. Pullman, ed.), Reidel, Dordrecht, p. 331 (1981).