Activity of Supercooled Water on the Ice Curve and Other Thermodynamic Properties of Liquid Water up to the Boiling Point at Standard Pressure

J Chem Eng Data. 2018 Aug 9;63(8):2986-2998. doi: 10.1021/acs.jced.8b00251. Epub 2018 Jul 27.

Abstract

A simple model for thermodynamic properties of water from subzero temperatures up to 373 K was derived at ambient pressure. The heat capacity of supercooled water was assessed as lambda transition. The obtained properties for supercooled water such as heat capacity, vapor pressure, density and thermal expansion are in excellent agreement with literature data. Activity of water on ice curve, independent of used electrolyte and Debye-Hückel constant applied in modeling, is also calculated. Thus, the ice curve activity of supercooled water can be used as a universal basis for thermodynamic modeling of aqueous solutions, precipitating hydrated and anhydrous solids. A simple model for heat capacity, density and thermal expansion of ice are also derived from 170 K up to melting point.