HoCl_3-NaCl二元系的热力学优化计算(英文)  

Thermodynamic Optimization and Calculation of the HoCl_3-NaCl Binary System

作　　者：张继红[1] 胡娟[2] 姚永香[2] 高天铱[2] 杨萍[2] 

机构地区：[1]安徽师范大学环境科学学院,安徽芜湖241000 [2]安徽省功能性分子固体重点实验室

出　　处：《安徽师范大学学报（自然科学版）》2008年第4期346-351,共6页Journal of Anhui Normal University(Natural Science)

基　　金：Supported by Key Projects Foundation of Natural Science of Anhui Education Committee numbered (2005KJ016ZD,KJ2008A083)

摘　　要：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.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 selfconsistent.

关 键 词：短程有序-扩展似化学模型 相图 HoCl3-NaCl 热力学性质 

分 类 号：O552.6[理学—热学与物质分子运动论] O642.42[理学—物理]