Thermodynamic optimization and calculation of phase diagrams of YbCl3-MCl (M=Na, K, Rb, Cs)

Journal of Rare Earths(2008)

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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.
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Key words
phase diagram,YbCl3-MCl systems,modified quasi-chemical model,thermodynamic properties,rare earths
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