水盐体系相图的计算

提出一种基于Ｌｕ－Ｍａｕｒｅｒ（１９９３）模型的水盐体系相图的计算方法，通过对离子，固相结晶盐的编码处理和一个通用的固液平衡计算模块实现了只需输入水盐体系所含离子名称和体系温度，即可自动进行固液平衡计算，同时得到体系的全息相图的目的，对２７３～５７３Ｋ范围内１０个阳离子和８个阴离子组合的数计十组三离子和四离子水盐体系的固液平衡的计算表明，该计算方法使用十分方便，可应用于两越界 发离和复分解法生产硝

Calculation of Phase Diagram for Aqueous Salt Solutions

A computer model was designed to calculate phase diagram of sold liquid equilibria for aqueous salt solutions at elevated temperatures. The input variables are the ion names in solution at the interested temperatures and then phase diagrams can be given automatically. The method has been checked for the systems covering ten cations (H +,Li +,Na +,K +,NH 4 +,Mg 2+ ,Ca 2+ ,Ba 2+ ,Sr 2+ ,Cs 2+ ) and eight anions (Cr -,Br -,I -,OH -,NO 3 -,SO 4 2- ,CO 3 2- ,HCO 3 -)from 273 to 573 K. Some examples of calculation for the systems with three ion and four ion at elevated temperatures are provided. The diagrams calculated by the proposed method are suitable for determining the technical conditions for the separation and for the manufacture of some inorganic salts, for example potassium nitrate (KNO 3) and potassium sulphate (K 2SO 4), by double decomposition reactions.