Editing TIP4P-Ew model of water
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==Parameters== | ==Parameters== | ||
These parameters are taken from Ref. 1 Table I: | These parameters are taken from Ref. 1 Table I: | ||
[[Image: | [[Image:Water_empirical1.png|center|300px]] | ||
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| 0.9572 || 104.52 || 3.16435 || 0.162750 || 0 || 0.52422 || -2q(H) || 0.1250 | | 0.9572 || 104.52 || 3.16435 || 0.162750 || 0 || 0.52422 || -2q(H) || 0.1250 | ||
|} | |} | ||
==Liquid-vapour equilibria== | ==Liquid-vapour equilibria== | ||
*[http://dx.doi.org/10.1063/1.2215612 C. Vega, J. L. F. Abascal and I. Nezbeda "Vapor-liquid equilibria from the triple point up to the critical point for the new generation of TIP4P-like models: TIP4P/Ew, TIP4P/2005, and TIP4P/ice" Journal of Chemical Physics '''125''' 034503 (2006)] | *[http://dx.doi.org/10.1063/1.2215612 C. Vega, J. L. F. Abascal and I. Nezbeda "Vapor-liquid equilibria from the triple point up to the critical point for the new generation of TIP4P-like models: TIP4P/Ew, TIP4P/2005, and TIP4P/ice" Journal of Chemical Physics '''125''' 034503 (2006)] |