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LaF₃-NaF体系的热力学优化（英文）

Thermodynamic Optimization of the LaF₃-NaF System

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【Author】 YE Xin-yu~1, SUN Yi-min~(1,2), QIAO Zhi-yu~3, TENG Xiao-ming~1, TAN Jun-jun~11. College of Chemistry and Materials Science, Anhui Normal University, Wuhu Anhui 241000, China; 2. Anhui Key Laboratory of Functional Molecular Solids at Auhui Normal University, Wuhu Anhui 241000, China; 3. Department of Physical Chemistry, University of Science and Technology Beijing, Beijing 100083, China

【机构】安徽师范大学化学与材料科学学院；北京科技大学冶金学院物理化学系；安徽师范大学化学与材料科学学院安徽芜湖241000；安徽芜湖241000安徽省功能性固体分子重点实验室；安徽芜湖241000；北京100083；安徽芜湖241000；

【摘要】运用新改进的用于短程有序体系的对近似似化学模型对LaF3 NaF体系进行了优化, 并运用CALPHAD技术对相进行了计算. 改进的似化学模型用来描述体系的吉布斯自由能. 借助计算机辅助分析, 计算得出一些热力学函数. 计算的图和热力学参数是热力学自恰一致的.更多还原

【Abstract】 The phase diagram of the LaF 3-NaF system is optimized by using the new modified quasichemical model in the pair-approximation for short-range ordering and calculated with CALPHAD (Calculation of Phase Diagram) technique. This model was used to describe the Gibbs energies of liquid phase in this system. A set of thermodynamic functions has been optimized based on an interactive computer-assisted analysis. The calculated phase diagram and optimized thermodynamic parameters are thermodynamically self-consistent.更多还原