CaCl_(2)-CaF_(2)-CaO三元体系的相图计算  

Phase Diagram Calculation of CaCl_(2)-CaF_(2)-CaO System

作　　者：何艺霖 缪涵 庞忠亚 李光石 王坤 邹星礼 鲁雄刚 HE Yilin;MIAO Han;PANG Zhongya;LI Guangshi;WANG Kun;ZOU Xingli;LU Xionggang(School of Material Science and Engineering,State Key Laboratory of Advanced Special Steel,Shanghai University,Shanghai 200444,China)

机构地区：[1]上海大学材料科学与工程学院,省部共建高品质特殊钢冶金与制备国家重点实验室,上海200444

出　　处：《有色金属（冶炼部分）》2024年第2期41-47,56,共8页Nonferrous Metals（Extractive Metallurgy)

基　　金：国家自然科学基金资助项目(52022054,51974181);钒钛联盟2022年度协同研发项目(2022-12)。

摘　　要：基于Calphad方法,首先对CaCl_(2)-CaO、CaCl_(2)-CaF_(2)和CaO-CaF_(2)体系进行了系统的热力学评估和优化。采用置换溶液模型来描述液相和固溶体相的吉布斯自由能,所有中间相因其固溶区域十分有限而近似处理成准化学计量比化合物,且其自由能依据Neumann-Kopp规则定义。其次,利用Muggianu溶液几何模型将优化获得的所有子二元系的模型参数扩展至CaCl_(2)-CaO-CaF_(2)三元体系。最后,对共晶点进行配样和差示扫描量热法(DSC)测试,通过引入三元交互参数使计算结果与试验数据一致,从而获得了一套自洽的CaCl_(2)-CaO-CaF_(2)三元体系热力学数据库。Firstly,a systematic thermodynamic evaluation and optimization of CaCl_(2)-CaO,CaC12-CaF_(2) and CaO-CaF_(2) systems were carried out based on the Calphad method.The substitution solution model was used to describe the Gibbs free energy of liquid and solid solution phases.All intermediate phases,because of their limited solid solubility,were approximately treated as stoichiometric compounds and their free energies were defined according to the Neumann-Kopp rule.Secondly,the optimized model parameters of all sub-binary systems were extended to the CaCl_(2)-CaF_(2)-CaO ternary system by using the Muggianu geometric solution model.Finally,samples with the eutectic composition were prepared and then tested by the Differential Scanning Calorimetry(DSC)method.A self-consistent thermodynamic database of CaCl_(2)-CaO-CaF_(2) ternary system was obtained by introducing ternary interaction parameters to make the calculation results consistent with the experimental data.

关 键 词：相图 置换溶液模型 CaCl_(2)-CaO-CaF_(2)三元系 DSC 

分 类 号：TF827.1[冶金工程—有色金属冶金]