SPC model of water: Difference between revisions

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The SPC model has a [[dipole moment]] of 2.27 D.
The SPC model has a [[dipole moment]] of 2.27 D.
==Surface tension==
The [[surface tension]] has been studied for the SPC model by Vega and Miguel.
*[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)]
==Related models==
==Related models==
Over the years a number of variants of the SPC model have been published:
Over the years a number of variants of the SPC model have been published:
*[[SPC]]
*[[SPC/E]]
*[[SPC/E]]
*[[SPC/F]]
*[[SPC/F]]

Revision as of 15:30, 2 July 2009

The simple point charge (SPC) model [1] is an empirical model of water. The molecule is modelled as a rigid isosceles triangle, having charges situated on each of the three atoms. Apart from Coulombic interactions, the molecules interact via long-range Lennard-Jones sites, situated on the oxygen atoms. The parameters are as follows:

parameter value
kJ mol-1
(charge neutrality)

The SPC model has a dipole moment of 2.27 D.

Surface tension

The surface tension has been studied for the SPC model by Vega and Miguel.

Related models

Over the years a number of variants of the SPC model have been published:

References

  1. 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)