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Using molecular simulation, we assess the impact of an electric field on theproperties of water, modeled with the SPC/E potential, over a wide range ofstates and conditions. Electric fields of the order of $0.1V/$\AA and beyondare found to have a significant impact on the grand-canonical partitionfunction of water, resulting in shifts in the chemical potential at thevapor-liquid coexistence of up to $20$%. This, in turn, leads to increases inthe critical temperatures by close to $7$% for a field of $0.2V/$\AA, to lowervapor pressures, and to much larger entropies of vaporization (by up to $35$%).We interpret these results in terms of the greater density change at thetransition and of the increased structural order resulting from the appliedfield. The thermodynamics of compressed liquids and of supercritical water arealso analyzed over a wide range of pressures, leading to the determination ofthe Zeno line and of the curve of ideal enthalpy that span the supercriticalregion of the phase diagram. Rescaling the phase diagrams obtained for thedifferent field strength by their respective critical properties allows us todraw a correspondence between these systems for fields of up to $0.2V/$\AA.

journal of chemical physics online/the journal of chemical physics/journal of chemical physics

Evaluation of the grand-canonical partition function using Expanded  Wang-Landau simulations. V. Impact of an electric field on the thermodynamic  properties and ideality contours of water