A universal thermodynamic model of calculating mass action concentrations for structural units or ion couples in aqueous solutions and its applications in binary and ternary aqueous solutions

作者：Yang Xue-min^*; Zhao Wei-jie; Chai Guo-ming; Guo Han-jie; Zhang Qiang

来源：Transactions of Nonferrous Metals Society of China, 2011, 21(3): 626-641.

DOI：10.1016/S1003-6326(11)60760-7

• universal thermodynamic model
• mass action concentration
• activity
• ternary aqueous solution
• binary aqueous solution
• ion and molecule coexistence theory
• structural units
• ion couples
• components

A universal thermodynamic model of calculating mass action concentrations for structural units or ion couples in ternary and binary strong electrolyte aqueous solution was developed based on the ion and molecule coexistence theory and verified in four kinds of binary aqueous solutions and two kinds of ternary aqueous solutions. The calculated mass action concentrations of structural units or ion couples in four binary aqueous solutions and two ternary solutions at 298.15 K have good agreement with the reported activity data from literatures after shifting the standard state and concentration unit. Therefore, the calculated mass action concentrations of structural units or ion couples from the developed universal thermodynamic model for ternary and binary aqueous solutions can be applied to predict reaction ability of components in ternary and binary strong electrolyte aqueous solutions. It is also proved that the assumptions applied in the developed thermodynamic model are correct and reasonable, i.e., strong electrolyte aqueous solution is composed of cations and anions as simple ions, H2O as simple molecule and other hydrous salt compounds as complex molecules. The calculated mass action concentrations of structural units or ion couples in ternary and binary strong electrolyte aqueous solutions strictly follow the mass action law.

• 出版日期2011-3
• 单位北京科技大学; 中国科学院; 多相复杂系统国家重点实验室