SPC-pol model of water

From SklogWiki
(Redirected from SPC-pol)
Jump to: navigation, search
Water icon.png 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 SPC-pol model of water is a polarisable variant of the SPC model for water.


Thee site water model.png
parameter value
\sigma  --- {\mathrm {\AA}}
\epsilon  --- kJ mol-1
r_\mathrm{OH}  --- \mathrm{\AA}
\angle_\mathrm{HOH} ---^{\circ}
q_{\mathrm{O}} ---- e
q_{\mathrm{H}} q_{\mathrm{O}}/2 (charge neutrality)


  1. Bin Chen, Jianhua Xing, and J. Ilja Siepmann "Development of Polarizable Water Force Fields for Phase Equilibrium Calculations", Journal of Physical Chemistry B 104 pp. 2391–2401 (2000)