POL3 model of water: Difference between revisions
Jump to navigation
Jump to search
m (POL3 moved to POL3 model of water) |
Carl McBride (talk | contribs) m (Added melting point) |
||
| Line 1: | Line 1: | ||
{{Stub-water}} | {{Stub-water}} | ||
'''POL3''' is a three-site model of [[water]]. | '''POL3''' is a three-site model <ref>[http://dx.doi.org/10.1021/j100016a067 James W. Caldwell and Peter A. Kollman "Structure and Properties of Neat Liquids Using Nonadditive Molecular Dynamics: Water, Methanol, and N-Methylacetamide", Journal of Physical Chemistry '''99''' pp. 6208-6219 (1995)]</ref> of [[water]]. | ||
==Melting point== | |||
The [[Ice Ih]]-[[water]] melting point has been calculated to be <math>180~K \pm 10~K </math><ref>[http://dx.doi.org/10.1021/jp110391q Eva Muchová, Ivan Gladich, Sylvain Picaud, Paul N. M. Hoang, and Martina Roeselová "The Ice−Vapor Interface and the Melting Point of Ice Ih for the Polarizable POL3 Water Model", Journal of Physical Chemistry A '''115''' pp. 5973-5982 (2011)]</ref>. | |||
==References== | ==References== | ||
<references/> | |||
[[category: water]] | [[category: water]] | ||
[[category: models]] | [[category: models]] | ||
Latest revision as of 15:49, 15 June 2011
|
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. |
POL3 is a three-site model [1] of water.
Melting point[edit]
The Ice Ih-water melting point has been calculated to be [2].
References[edit]
- ↑ James W. Caldwell and Peter A. Kollman "Structure and Properties of Neat Liquids Using Nonadditive Molecular Dynamics: Water, Methanol, and N-Methylacetamide", Journal of Physical Chemistry 99 pp. 6208-6219 (1995)
- ↑ Eva Muchová, Ivan Gladich, Sylvain Picaud, Paul N. M. Hoang, and Martina Roeselová "The Ice−Vapor Interface and the Melting Point of Ice Ih for the Polarizable POL3 Water Model", Journal of Physical Chemistry A 115 pp. 5973-5982 (2011)