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锌银的卤化物熔盐在电池、光学玻璃等方面具有重要的用途,而含卤化锌熔盐因其强烈吸水性和易玻璃化,相图实验测试大受限制。本文利用CALPHAD(Calculation of Phase Diagram)技术,热力学评估计算了ZnX_2-AgX(X=Cl,Br)体系在整个成分范围内的平衡相图,建立了相图与热力学数据库。评估过程中均采用双亚晶格离子溶液模型(Ag~+)_p:(X~-,ZnX_2)_Q描述体系液相结构。通过对已有的相图和热力学实验数据的精确评估,优化计算了ZnCl_2-AgCl体系在768 K,ZnBr_2-AgBr体系在773 K时的液相混合焓,分别获得自洽的热力学参数,计算结果与实验值非常吻合。
Zinc silver halide molten salt has important applications in batteries, optical glass and so on. However, the molten salt containing zinc halide is greatly restricted in the phase diagram experiment because of its strong water absorption and easy vitrification. In this paper, CALPHAD (Calculation of Phase Diagram) technique was used to calculate the equilibrium phase diagram of ZnX_2-AgX (X = Cl, Br) system in the whole composition range by thermodynamic evaluation, and the phase diagram and thermodynamic database were established. In the evaluation process, the double-lattice ion solution model (Ag ~ +) _p: (X ~ -, ZnX_2) _Q was used to describe the liquid phase structure of the system. Through the accurate evaluation of the existing experimental data of phase diagram and thermodynamics, the liquid phase enthalpies of ZnCl_2-AgCl system at 768 K and ZnBr_2-AgBr system at 773 K are optimized and calculated, and the thermodynamic parameters are obtained respectively. The calculated results And the experimental value is very consistent.