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The '''simple point charge''' (SPC) model
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==References==
<ref>H. J. C. Berendsen, J. P. M. Postma, W. F. van Gunsteren and J. Hermans, in: Intermolecular Forces (B. Pullman, ed.), Reidel, Dordrecht (1981) p. 331 ISBN 902771326X</ref>
 
is an [[water models | empirical model of water]]. The molecule is modelled as
 
a rigid isosceles triangle, having charges situated on each of the three atoms. As well as [[Coulomb's law |Coulombic interactions]], the molecules interact via long-range [[Lennard-Jones model | Lennard-Jones]] sites, situated  on the  oxygen atoms. The parameters are as follows:
 
[[Image:Thee_site_water_model.png‎|center|400px]]
 
{| border="1"
 
|-
 
| parameter || value
 
|- 
 
| <math>\sigma</math> || <math> 3.166</math>&#8491;
 
|-
 
| <math>\epsilon</math> || <math>0.650</math> kJ mol<sup>-1</sup>
 
|-
 
| <math>r_\mathrm{OH}</math> || <math>1.000</math>&#8491;
 
|-
 
| <math>\angle_\mathrm{HOH}</math> || <math>109.47^{\circ}</math>
 
|-
 
| <math>q_{\mathrm{O}}</math> ||  <math>-0.82 e</math>
 
|-
 
| <math>q_{\mathrm{H}}</math> ||  <math>|q_{\mathrm{O}}|/2</math> (charge neutrality)
 
|}
 
  
The SPC model has a [[dipole moment]] of 2.27 D.
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#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).
==Surface tension==
 
The [[surface tension]] has been studied for the SPC model by Vega and Miguel.
 
<ref>[http://dx.doi.org/10.1063/1.2715577 C. Vega and E. de Miguel "Surface tension of the most popular models of water by using the test-area simulation method", Journal of Chemical Physics '''126''' 154707 (2007)]</ref>
 
==Related models==
 
Over the years a number of variants of the SPC model have been published:
 
*[[SPC/&epsilon; water model | SPC/&epsilon;]]
 
*[[SPC/A]]
 
*[[SPC/E]]
 
*[[SPC/F]]
 
*[[SPC/F2]]
 
*[[SPC/FP]]
 
*[[SPC/FQ]]
 
*[[SPC/Fw]]
 
*[[SPC/HW]]
 
*[[SPC/L]]
 
*[[SPCP]]
 
*[[SPC-pol]]
 
 
 
==References==
 
<references/>
 
 
[[category: water]]
 
[[category: water]]
 
[[category: models]]
 
[[category: models]]

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