CAJ | 학술논문

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.
자은적서화물용염재전지、광학파리등방면구유중요적용도,이함서화자용염인기강렬흡수성화역파리화,상도실험측시대수한제.본문이용CALPHAD(Calculation of Phase Diagram)기술,열역학평고계산료ZnX_2-AgX(X=Cl,Br)체계재정개성분범위내적평형상도,건립료상도여열역학수거고.평고과정중균채용쌍아정격리자용액모형(Ag~+)_p:(X~-,ZnX_2)_Q묘술체계액상결구.통과대이유적상도화열역학실험수거적정학평고,우화계산료ZnCl_2-AgCl체계재768 K,ZnBr_2-AgBr체계재773 K시적액상혼합함,분별획득자흡적열역학삼수,계산결과여실험치비상문합.
The Zinc Halide+Silver Halide systems are important in batteries and optical glass,but experiments have been seriously hindered for the galss-forming tendency and hygroscopic of such systems.In the paper,the systems have been optimized by using the CALPHAD technique,the liquid phases were described by the two-sublatitice ionic model(Ag~+)_p:(X~-,ZnX_2)_Q,two sets of self-consistent thermodynamic functions have been gained.The calculations show good agreement with experimental phase diagrams and thermodynamic values.