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

Vega, Carlos; L. F. Abascal, J.; Nezbeda, Ivó

doi:10.1063/1.2215612

Public

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

Published in The Journal of Chemical Physics • Jul 18, 2006

Authors:

Carlos Vega

J. L. F. Abascal

Ivó Nezbeda

Abstract

The vapor-liquid equilibria of three recently proposed water models have been computed using Gibbs-Duhem simulations. These models are TIP4P/Ew, TIP4P/2005, and TIP4P/ice and can be considered as modified versions of the TIP4P model. By design TIP4P reproduces the vaporization enthalpy of water at r...

Subject

Triple point

Water model

Critical point (mathematics)

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