THE PREDICTION OF MINERAL SOLUBILITIES IN NATURAL-WATERS - A CHEMICAL-EQUILIBRIUM MODEL FOR THE NA-CA-CL-SO4-H2O SYSTEM, TO HIGH-TEMPERATURE AND CONCENTRATION
THE PREDICTION OF MINERAL SOLUBILITIES IN NATURAL-WATERS - A CHEMICAL-EQUILIBRIUM MODEL FOR THE NA-CA-CL-SO4-H2O SYSTEM, TO HIGH-TEMPERATURE AND CONCENTRATION
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DOI：
10.1016/0016-7037(88)90354-7
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发表时间：
1988-04-01
影响因子：
5
通讯作者：
MOLLER, N
中科院分区：
文献类型：
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作者：
MOLLER, N
本文描述了 Na-Ca-Cl-SO4-H2O 系统的化学平衡模型，该模型计算了实验不确定性范围内从 25°C 到 250°C、从零到高浓度 (I~ 18.m) 的溶解度。通过拟合可用的活性（溶解度、渗透压和电动势）数据来建立模型的浓度和温度依赖性。模型中明确包含单离子复合物 CaSO04，其强度随温度而增加。模型中明确包含通过与实验室和现场溶解度数据进行比较来验证模型准确性。还给出了该模型的应用。为 Na-Ca-Cl-SO4-H2O 体系构建的相图以及预测的硬石膏和半水合物在高温浓海水中的溶解度与数据非常吻合。将石膏-硬石膏共存温度作为水活度函数的计算结果与报告值进行比较，并用于估计天然盐水蒸发中石膏-硬石膏转变的成分-温度关系。基于 CaSO4-NaCl-H2O 系统参数化的高温（100°C 至 250°C）重晶石在氯化钠溶液中溶解度的初步模型与数据吻合良好。
This paper describes a chemical equilibrium model for the Na-Ca-Cl-SO4-H2O 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, CaSO04, 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-SO4-H2O 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 CaSO4-NaCl-H2O system, gives good agreement with the data.