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基于CALPHAD技术首先评估了LiF-NaF和LiF-KF两个二元熔盐体系,液相和端际固溶体Halite相均采用RedlichKister多项式置换熔体模型描述,模型参数的优化选取实验相平衡数据和热化学数据以及本文根据第一性原理预测的数据.结合文献中已报道的NaF-KF体系的热力学参数,用Muggianu模型扩展至LiF-NaF-KF三元体系,根据三元共晶点的实验数据调整三元交互参数.最终的相图计算结果与绝大部分实验数据和第一原理计算数据吻合较好,由此获得了一套自洽且可靠的热力学参数,其能够准确描述LiF-NaF-KF体系的相平衡与热力学性质.
Based on the CALPHAD technique, two binary molten salt systems, LiF-NaF and LiF-KF, were first evaluated. Both the liquid phase and the end-of-line solid solution Halite phase were described by the RedlichKister polynomial substitution melt model. Optimum model parameters were selected from the experimental phase equilibrium data and heat Chemical data and the data predicted by the first principle in this paper.With the thermodynamic parameters of NaF-KF reported in the literature, the Muggianu model is extended to the LiF-NaF-KF ternary system. According to the experimental data of the ternary eutectic point Adjust the ternary interaction parameters.The final phase diagram calculated results agree well with most of the experimental data and the first principle calculated data, thus obtained a set of consistent and reliable thermodynamic parameters, which can accurately describe the LiF-NaF- Phase Equilibrium and Thermodynamic Properties of KF System.