Abstract: In this paper we have systematically studied V-L equilibrium in ternary aqueous solutions containing volatile weak electrolytes by introducing a ternary interaction term into Edwards generalized molecular thermodynamic model and optimizing several adjustable parameters. The program PARA9 with flexible functions of doing a series of calculations has been developed and carried out on a TQ-16 computer. It can be used either for direct calculation of V-L equilibrium or optimizing the adjustable parameters. For the systems (NH3-CO2-H2O, NH3-H2S-H2O and NH3-SO2-H2O) satisfactory results have been obtained with relative mean deviation of 5-10%. Besides, several sets of adjustable parameters and valuable information of activity coefficients and equilibrium concentrations of ions and molecules in solutions are obtained.

摘要： 在Edwards通用性分子热力学模型中增加了三元相互作用项,应用优化若干可调参数的方法研究了弱电解质水溶液三元系的汽液平衡.编制了通用性FORTRAN计算程序PARA_9,在TQ-16机上实施.该程序具有弹性功能:可以直接计算,亦可优化参数.对NH_3-CO_2-H_2O、NH_3-H_2S-H_2O、NH_3-SO_2-H_2O三个体系进行处理获得满意结果,平均相对误差5—10%.同时给出了几组可调参数数值,并得到了溶液中离子和分子的活度系数,平衡浓度等有价值的信息.