SPC-pol model of water

From SklogWiki
Revision as of 17:27, 8 June 2009 by Nice and Tidy (talk | contribs) (Started a parameters section.)
Jump to navigation Jump to search
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.

Parameters

parameter value
Failed to parse (Conversion error. Server ("https://wikimedia.org/api/rest_") reported: "Cannot get mml. Server problem."): {\displaystyle ---{\mathrm {\AA} }}
Failed to parse (Conversion error. Server ("https://wikimedia.org/api/rest_") reported: "Cannot get mml. Server problem."): {\displaystyle ---} kJ mol-1
Failed to parse (Conversion error. Server ("https://wikimedia.org/api/rest_") reported: "Cannot get mml. Server problem."): {\displaystyle r_{\mathrm {OH} }} Failed to parse (Conversion error. Server ("https://wikimedia.org/api/rest_") reported: "Cannot get mml. Server problem."): {\displaystyle ---\mathrm {\AA} }
Failed to parse (Conversion error. Server ("https://wikimedia.org/api/rest_") reported: "Cannot get mml. Server problem."): {\displaystyle \angle _{\mathrm {HOH} }} Failed to parse (Conversion error. Server ("https://wikimedia.org/api/rest_") reported: "Cannot get mml. Server problem."): {\displaystyle ---^{\circ }}
Failed to parse (Conversion error. Server ("https://wikimedia.org/api/rest_") reported: "Cannot get mml. Server problem."): {\displaystyle q_{\mathrm {O} }}
Failed to parse (Conversion error. Server ("https://wikimedia.org/api/rest_") reported: "Cannot get mml. Server problem."): {\displaystyle q_{\mathrm {H} }} Failed to parse (Conversion error. Server ("https://wikimedia.org/api/rest_") reported: "Cannot get mml. Server problem."): {\displaystyle q_{\mathrm {O} }/2} (charge neutrality)

References

  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)