From the measured phase diagram data and experimental thermochemical properties, the DyCl3-KCl and DyCl3-CaCl2 phase diagrams were optimized and calculated by the CALPHAD technique. The Gibbs energies of liquid phase ...From the measured phase diagram data and experimental thermochemical properties, the DyCl3-KCl and DyCl3-CaCl2 phase diagrams were optimized and calculated by the CALPHAD technique. The Gibbs energies of liquid phase in the two systems has been optimized and calculated by new modified quasi-chemical model in the pair-approximation for short-range ordering, and a series of thermodynamic functions has also been optimized based on an interactive computer-assisted analysis. The results showed that the calculated phase diagrams and thermodynamic data were serf-consistent.展开更多
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 ...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 carded out. The results showed that the optimized parameters and experimental data are thermodynamically self-consistent.展开更多
基金Project supported by Key Item Faundation of Anhui MunicipalCommission of Education (Grant No .2005KJ016ZD)
文摘From the measured phase diagram data and experimental thermochemical properties, the DyCl3-KCl and DyCl3-CaCl2 phase diagrams were optimized and calculated by the CALPHAD technique. The Gibbs energies of liquid phase in the two systems has been optimized and calculated by new modified quasi-chemical model in the pair-approximation for short-range ordering, and a series of thermodynamic functions has also been optimized based on an interactive computer-assisted analysis. The results showed that the calculated phase diagrams and thermodynamic data were serf-consistent.
基金Key Project Foundation of Natural Science of Anhui Education Committee (KJ2008A083)
文摘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 carded out. The results showed that the optimized parameters and experimental data are thermodynamically self-consistent.
