材料期刊网

本文利用 CaCl-SrCl_2相图中,固相有一个溶解间断区(miscibility gap)的信息,用亚正规溶液模型计算了该二元系液相和固相的 Gibbs 自由能.运用 Toop方程的变通式即最近 Hillert.M.提出的新的非对称方法,由组成 NaCl-CaCl_2-SrCl_2三元系的二元系热力学性质预示了该三元系液相的 Gibbs 自由能,进而用计算机计算了三元液相中各组元的偏克分子 Gibbs 自由能和活度系数.由三元液相中组元 NaCl,CaCl_2和 SrCl_2的过剩偏克分子 Gibbs 自由能,根据相平衡原理,用计算机计算了该三元系的相图.计算结果对于钠电解的实践和盐湖资源的综合利用有实际意义.亚正规溶液模型和新的非对称方法可望适合于计算一系列有潜在重要性的电荷不对称熔盐体系的相图.如对 Na,Ti,Mg,Ce 电解及熔融氯化脱水制取无水氯化镁有实际意义的 NaCl-CaCl_2-BaCl_2,NaCl-SrCl_2-BaCl_2,NaCl-CaCl_2-MgCl_2,KCl-CaCl_2-MgCl_2,KCl-NaCl-CeCl_3等三元相图.

The Gibbs energies of the liquid and solid phases in the CaCl_2-SrCl_2 system have been calculated using the information available on the phase diagram.The Gibbs energy of the liquid phase in the ternary system NaCl-CaCl_2-SrCl_2 has been predicted from the binary properties by applying a modified version of Toop's method.The partial Gibbs energies and the activity coefficients were then calcula- ted by using computer.On the basis of above calculated results and the principle of phase equilibrium the NaCl-CaCl_2-SrCl_2 phase diagram have also been compu- ted using a program.All these calculations are important for the practice of sodium electrolysis and utilization of salt lake resources.The subregular solution model and the modified version of Toop's method are expected to be suitable for calculating a series of assymetric ternary molten salt systems of potential interests, such as NaCl-CaCl_2-BaCl_2,NaCl-SrCl_2-BaCl_2,NaCl-CaCl_2-MgCl_2,KCl-CaCl_2- MgCl_2,KCl-NaCl-CeCl_3 and so on.