TY - JOUR
T1 - Thermodynamic assessment of MCl-YCl3 (M=Na, K, Rb, Cs) systems
AU - Lu, Guangxuan
AU - Kang, Zhangyang
AU - He, Maogang
AU - Zhang, Ying
PY - 2014/12
Y1 - 2014/12
N2 - Thermodynamic properties and phase diagrams of the MCl-YCl3 (M=Na, K, Rb, Cs) systems were reassessed by using the CALPHAD method with the latest phase diagram data. A two-sublattice ionic solution model (M +)P(Cl-, YCL63-, YCl3)Q reflecting the ionic behavior of the components was adopted to describe the liquid phase in the systems. A new set of optimized model parameters was found, and the calculated phase diagrams and enthalpies of mixing have good agreement with experimental data. The calculated liquidus near to YCl3 side agrees much better with experimental data compared with previous work. In consideration of high and low temperature modifications as well as stability of intermediate compounds, Gibbs energies of formation of these compounds evaluated in the present work are more reasonable.
AB - Thermodynamic properties and phase diagrams of the MCl-YCl3 (M=Na, K, Rb, Cs) systems were reassessed by using the CALPHAD method with the latest phase diagram data. A two-sublattice ionic solution model (M +)P(Cl-, YCL63-, YCl3)Q reflecting the ionic behavior of the components was adopted to describe the liquid phase in the systems. A new set of optimized model parameters was found, and the calculated phase diagrams and enthalpies of mixing have good agreement with experimental data. The calculated liquidus near to YCl3 side agrees much better with experimental data compared with previous work. In consideration of high and low temperature modifications as well as stability of intermediate compounds, Gibbs energies of formation of these compounds evaluated in the present work are more reasonable.
KW - Phase diagram
KW - Thermodynamic assessment
KW - Thermodynamic property
KW - Two-sublattice ionic solution model
UR - https://www.scopus.com/pages/publications/84905594781
U2 - 10.1016/j.calphad.2014.06.007
DO - 10.1016/j.calphad.2014.06.007
M3 - 文章
AN - SCOPUS:84905594781
SN - 0364-5916
VL - 47
SP - 63
EP - 67
JO - Calphad: Computer Coupling of Phase Diagrams and Thermochemistry
JF - Calphad: Computer Coupling of Phase Diagrams and Thermochemistry
ER -