A comprehensive thermodynamic model of KF-CrF3 system was established. The intermediate phases K2Cr5F17, KCrF4, K2CrF5 and K3CrF6 were described by the stoichiometric compound model and the liquid phase by associated ...A comprehensive thermodynamic model of KF-CrF3 system was established. The intermediate phases K2Cr5F17, KCrF4, K2CrF5 and K3CrF6 were described by the stoichiometric compound model and the liquid phase by associated solution model. All the model parameters were optimized by the experimental phase equilibria data as- sisted by the first-principles prediction within the framework of the calculation of phase diagram（CALPHAD） me- thod. It is demonstrated that the calculated results are fairly consistent with the experimental data, thus we obtained a set of self-consistent and reliable thermodynamic parameters which could well describe the phase equilibria and thermodynamic properties of KF-CrF3 system.展开更多
文摘A comprehensive thermodynamic model of KF-CrF3 system was established. The intermediate phases K2Cr5F17, KCrF4, K2CrF5 and K3CrF6 were described by the stoichiometric compound model and the liquid phase by associated solution model. All the model parameters were optimized by the experimental phase equilibria data as- sisted by the first-principles prediction within the framework of the calculation of phase diagram（CALPHAD） me- thod. It is demonstrated that the calculated results are fairly consistent with the experimental data, thus we obtained a set of self-consistent and reliable thermodynamic parameters which could well describe the phase equilibria and thermodynamic properties of KF-CrF3 system.
