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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.
Based on the phase diagram and thermodynamic data measured by the experiment, the thermodynamic optimization and calculation of the HoCl3-NaCl system were carried out by CALPHAD technique. The Gibbs free energy of the liquid phase of HoCl3-NaCl binary system was introduced by introducing the short-range order- A series of thermodynamic functions of Na3HoCl6, NaHoCl4 and NaHo2Cl7 compounds were studied by computer-aided analysis.The thermodynamic parameters of optimized calculation and the phase diagram and experimental phase diagram are all consistent with thermodynamics.