Sippola Hannu, Taskinen Pekka
Aalto University School of Chemical Engineering, Department of Chemical Engineering and Metallurgy Metallurgical Thermodynamics and Modelling P.O. Box 16200, Aalto, FI-00076, Finland.
J Chem Eng Data. 2018 Aug 9;63(8):2986-2998. doi: 10.1021/acs.jced.8b00251. Epub 2018 Jul 27.
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.
在环境压力下，推导了一个适用于从零下温度到373 K的水的热力学性质的简单模型。过冷水的热容被评估为λ转变。所获得的过冷水的性质，如热容、蒸气压、密度和热膨胀，与文献数据高度吻合。还计算了冰曲线上水的活度，该活度与所用电解质和建模中应用的德拜-休克尔常数无关。因此，过冷水的冰曲线活度可作为水溶液、沉淀水合和无水固体热力学建模的通用基础。还推导了一个从170 K到熔点的冰的热容、密度和热膨胀的简单模型。
