TIP5P-E model of water
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The TIP5P-E model is a version of the TIP5P model, re-parameterised for use with Ewald sums. The following table of parameters is taken from Table I of [1].
Failed to parse (SVG (MathML can be enabled via browser plugin): Invalid response ("Math extension cannot connect to Restbase.") from server "https://wikimedia.org/api/rest_v1/":): {\displaystyle \sigma} (Å) Failed to parse (SVG (MathML can be enabled via browser plugin): Invalid response ("Math extension cannot connect to Restbase.") from server "https://wikimedia.org/api/rest_v1/":): {\displaystyle \epsilon} (kcal.mol-1) q(H) (e) 3.097 0.178 0.241
Vapour-liquid equilibria
See [2].
References
- ↑ Steven W. Rick "A reoptimization of the five-site water potential (TIP5P) for use with Ewald sums", Journal of Chemical Physics 120 6085 (2004)
- ↑ Martin Lísal, Ivo Nezbeda, and William R. Smith "Vapor−Liquid Equilibria in Five-Site (TIP5P) Models of Water", Journal of Physical Chemistry B 108 pp. 7412–7414 (2004)