# Difference between revisions of "SPC model of water"

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| parameter || value | | parameter || value | ||

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− | | <math>\sigma</math> || <math> 3.166 | + | | <math>\sigma</math> || <math> 3.166</math>Å |

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| <math>\epsilon</math> || <math>0.650</math> kJ mol<sup>-1</sup> | | <math>\epsilon</math> || <math>0.650</math> kJ mol<sup>-1</sup> | ||

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− | | <math>r_\mathrm{OH}</math> || <math>1.000 | + | | <math>r_\mathrm{OH}</math> || <math>1.000</math>Å |

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| <math>\angle_\mathrm{HOH}</math> || <math>109.47^{\circ}</math> | | <math>\angle_\mathrm{HOH}</math> || <math>109.47^{\circ}</math> |

## Revision as of 15:07, 17 February 2014

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. As well as Coulombic interactions, the molecules interact via long-range Lennard-Jones sites, situated on the oxygen atoms. The parameters are as follows:

parameter | value |

Å | |

kJ mol^{-1}
| |

Å | |

(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.
^{[2]}

## Related models

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

## References

- ↑ 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
- ↑ 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)