The prediction of mineral solubilities in natural waters: A chemical equilibrium model for the Na-Ca-Cl-SO 4 -H 2 O system, to high temperature and concentration

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Scientific paper

This paper describes a chemical equilibrium model for the Na-Ca-Cl-SO 4 -H 2 O system which calculates solubilities from 25°C to 250°C and from zero to high concentration ( I ~ 18. m ) within experimental uncertainty. The concentration and temperature dependence of the model were established by fitting available activity (solubility, osmotic and emf) data. A single ion complex, CaSO 0 4 , which increases in strength with temperature, is included explicitly in the model. The validation of model accuracy by comparison to laboratory and field solubility data is included. Applications of the model are also given. Phase diagrams constructed for the Na-Ca-Cl-SO 4 -H 2 O system and predicted solubilities of anhydrite and hemihydrate in concentrated seawater at high temperature are in very good agreement with the data. Calculations of the temperature of gypsum-anhydrite coexistence as a function of water activity are compared to reported values, and are used to estimate the composition-temperature relation for gypsum-anhydrite transition in a natural brine evaporation. A preliminary model for barite solubility in sodium chloride solutions at high temperature (100°C to 250°C), based on this parameterization of the CaSO 4 -NaCl-H 2 O system, gives good agreement with the data.

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