CAJ | 학술논문

参照实验测定的相图和热力学数据,运用CALPHAD技术对HoCl3-NaCl体系进行了热力学优化和计算.引入短程有序-扩展似化学模型来描述HoCl3-NaCl二元体系液相的Gibbs自由能.通过计算机辅助分析对Na3HoCl6、NaHoCl4、NaHo2Cl7化合物的一系列热力学函数进行了研究.优化计算的热力学参数以及相图与实验测定相图是热力学自洽一致的.
삼조실험측정적상도화열역학수거,운용CALPHAD기술대HoCl3-NaCl체계진행료열역학우화화계산.인입단정유서-확전사화학모형래묘술HoCl3-NaCl이원체계액상적Gibbs자유능.통과계산궤보조분석대Na3HoCl6、NaHoCl4、NaHo2Cl7화합물적일계렬열역학함수진행료연구.우화계산적열역학삼수이급상도여실험측정상도시열역학자흡일치적.
Referring to the measured experimental phase diagram data and thermodynamic data,the HoCl3-NaCl phase diagram was optimized and calculated by CALPHAD technique.The Gibbs free energies of liquid phase in this system have been determined by the modified quasi-chemical model in the pair-approximation for short-range ordering.A set of thermodynamic functions of compounds Na3HoCl6,NaHoCl4,and NaHo2Cl7 have been studied on the basis of an interactive computer-assisted analysis.The optimized and calculated thermodynamic properties and phase diagrams are self-consistent.