采用局部组成模型理论,建立了不同温度下Na^+//Cl^-,SO4^2- -H2O体系的热力学模型。利用该模型对此体系在不同温度下的溶解度进行了预测,并与实验数据对比,研究了模型对于此体系多温情况的适用性。由局部组成理论中的两离子相互作用能量参数以及不同温度下体系溶解度实验数据,通过Matlab优化函数,获得不同温度下各盐的活度积和两离子混合作用参数,并利用Matlab非线性方程求解函数,预测了体系在0~150℃范围内的液固平衡数据,与实验数据及Pizter模型计算结果进行对比。研究结果表明,局部组成模型的多温适用性良好,预测结果与实验数据基本一致。
On the basis of NRTL model of electrolyte solution, the thermodynamic model of Na^+//Cl^- , SO4^2- -H20 at different temperatures was established. The solubility of the quaternary system Na^+//Cl^-, SO4^2- -H20 at different temperatures in the range of 0 ~150℃ were calculated. All the energy parameters were obtained from the experimental data of the solubility of the binary and ternary systems. It was compared with the Pizter' s model in the same case. The results showed that the solubility predicted were in agreement well with experimental data, and NRTL's model is well suitable for the system Na^+//Cl^- , SO4^2- -H2 O at different temperatures.