Thermodynamic optimization and calculation of phase diagrams of YbCl3-MCl (M=Na, K, Rb, Cs)
来源期刊：JOURNAL OF RARE EARTHS2008年第4期
论文作者：HU Juan SUN Yimin MENG Xiangzhen GAO Tianyi QIAO Zhiyu YAO Yongxiang
Key words：phase diagram; YbCl3-MCl systems; modified quasi-chemical model; thermodynamic properties; rare earths;
Abstract: YbCl3-MCl (M = Na, K, Rb, Cs) systems were optimized and calculated using the CALPHAD (CALculation of PHAse Diagram) technique. The modified quasi-chemical model in the pair-approximation for short-range ordering was used to describe the Gibbs energies of liquid phase in the systems. On the basis of the measured phase diagram data and experimental thermodynamic properties, a series of thermodynamic functions were optimized and calculated through an interactive computer-assisted analysis. Furthermore, some reasonable discussions on the thermodynamic parameters for these strong interaction binary systems were carried out. The results showed that the optimized parameters and experimental data are thermodynamically self-consistent.
HU Juan1，SUN Yimin1，MENG Xiangzhen1，GAO Tianyi1，QIAO Zhiyu2，YAO Yongxiang1
(1.College of Chemistry and Materials Science, Anhui Normal University, Wuhu 241000, China;
2.Department of Physical Chemistry, University of Science and Technology Beijing, Beijing 100083, China)
Abstract:YbCl3-MCl (M = Na, K, Rb, Cs) systems were optimized and calculated using the CALPHAD (CALculation of PHAse Diagram) technique. The modified quasi-chemical model in the pair-approximation for short-range ordering was used to describe the Gibbs energies of liquid phase in the systems. On the basis of the measured phase diagram data and experimental thermodynamic properties, a series of thermodynamic functions were optimized and calculated through an interactive computer-assisted analysis. Furthermore, some reasonable discussions on the thermodynamic parameters for these strong interaction binary systems were carried out. The results showed that the optimized parameters and experimental data are thermodynamically self-consistent.
Key words:phase diagram; YbCl3-MCl systems; modified quasi-chemical model; thermodynamic properties; rare earths;
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