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Thermodynamic model for CoSO4(aq) and the related solid hydrates in the temperature range from 270 to 374 K and at atmospheric pressure
Calphad ( IF 1.9 ) Pub Date : 2020-12-10 , DOI: 10.1016/j.calphad.2020.102230
Tuomas Vielma

Available literature on the thermodynamic properties of binary CoSO4 – H2O system has been reviewed and used to derive a model for calculating the solution properties and phase equilibria in a thermodynamically consistent manner. The solution model is based on the Pitzer ion interaction approach and, with 10 adjustable parameters, is able reproduce the available literature data with good accuracy from 270 to 374 K. The length and exact form of temperature dependence of the model was optimised using the ”structural optimisation” scheme. Properties of the solid hydrates have been included in the model for calculation of solubilities. The model has been validated by successfully predicting metastable solubilities and solid–liquid–vapor equilibrium pressures.



中文翻译:

CoSO 4(aq)及其相关固体水合物在270至374 K的温度范围内和大气压下的热力学模型

已审查了有关二元CoSO 4 -H 2 O系统热力学性质的现有文献,并将其用于推导以热力学一致的方式计算溶液性质和相平衡的模型。该解决方案模型基于Pitzer离子相互作用方法,并具有10个可调参数,能够在270至374 K的范围内以较高的精度再现可用的文献数据。使用“结构优化”方案。固体水合物的性质已包括在计算溶解度的模型中。该模型已通过成功预测亚稳溶解度和固液汽平衡压力而得到验证。

更新日期:2020-12-10
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