Thermodynamic Optimization of TmCl3-ACl （A = Na, K, Rb, Cs）Phase Diagrams

As well known, molten salt electrolysis was wide ly used for the production of rare earth metals andtheir alloys. And, phase diagrams are the most impor tant data for fused electrolytes. Dealing with the bina ry phase diagrams relating to rar…     

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

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.     

Optimization and Calculation of TbCl3-ACl（A = Li, Na, K, Rb, Cs）Phase Diagrams

Thermodynamic information of the melts involvingrare earth halides and alkali halides plays an importantrole in the preparation of rare earth metals by moltensalt electrolysis and by metallothermic reduction. Theknowledge of thermodynamics of molten s…     

SmI2—AI（A：Na,K,Rb,Cs）相图的测定和计算

用实验测定及理论计算相结合的方法构筑了ＳｍＩ２－ＡＩ（Ａ：Ｎａ，Ｋ，Ｒｂ，Ｃｓ）体系的相图；并通过理论计算的方法预示了一套与优化相图自洽的热力学数据。     

Phase equilibria calculation of LaI3-MI （M=Na, K, Cs） binary systems

The Gibbs energies of liquid phases in the LaI3-MI (M=Na, K, Cs) systems were described by the modified quasi-chemical model. From the measured phase equilibrium data of these binary systems, a set of thermodynamic functions were optimized by using the CAL-PHAD technique. The enthalpy of mixing and the interaction parameter of the liquid phase were predicted from known data for the LaI3-MI systems.     

MNO_3–Ca(NO_3)_2 (M=Li,Na,K)二元相图的热力学优化

基于CALPHAD方法对MNO3-Ca(NO3)2(M=Li,Na,K)二元相图的试验数据首次进行了热力学优化拟合,得到了3个二元相图的过量混合热力学性质的参数及Ca(NO3)2的熔化吉布斯自由能随温度变化的函数表达式,并用拟合的参数计算了3个二元相图,最后将计算得到的相图与试验相图进行了比较。     

Synthesis of Long Afterglow Phosphors MAI204：Eu^2＋ , Dy^3＋ （M=Ca, Sr, Ba） by Microemulsion Method and Their Luminescent Properties

Long afterglow phosphors MAl2O4：Eu^2＋ , Dy^3＋ （M = Ca, Sr, Ba） were synthesized by microemulsion method, and their crystal structure and luminescent properties were compared and investigated. XRD patterns of samples indicate that phosphors CaAl2O4：Eu^2＋, Dy^3＋ and SrAl2O4 ： Eu^2＋, Dy^3＋ are with monoelinie crystal structure and phosphor BaAl2O4：Eu^2＋ , Dy^3＋ is with hexagonal crystal structure. The wide range of excitation spectrum of phosphors MAl2O4： Eu^2 ＋ , Dy^3＋ （M = Ca,Sr, Ba） indicates that the luminescent materials can he excited by light from ultraviolet ray to visible light and the maximum emission wavelength of phosphors MAl2O4：Eu^2＋ , Dy^3＋ （M = Ca, Sr, Ba） is found mainly at λem of 440 nm （M = Ca）, 520 nm （M = Sr） and 496 nm （M = Ba） respectively, the corresponding colors of emission light are blue, green and eyna-green respectively. The afterglow decay tendency of phosphors can he summarized as three processes： initial rapid decay, intermediate transitional decay and very long slow decay. Afterglow decay curves coincide with formula I = At^ - n, and the sequence of afterglow intensity and time is Sr 〉 Ca 〉 Ba.     

Spectral Structures of Eu~(2 ) in ABF_4 and A_2SiF_6 (A=Na,K,Rb,Cs)

The phosphors of ABF_4:Eu~(2 )and A_2SiF_6:Eu~(2 )(A=Na,K,Rb,Cs)have been synthesized,and thecrystallographic data obtained accord with ASTM.In these materials,the f→f sharp lines emissions of Eu~(2 )were observed.The coordination numbers of Eu~(2 )in both NaBF_4 and Na_2SiF_6 hosts are less than 8.     

Formation and Characterization of Li0.24 ＋ 2x La0.59-x Mx TiO3-LaPO4 （M = K, Na） System

Ionic conductingsolid materials has received con-siderable attention in the last few years due to theirpotential utilityin high energy batteries and other elec-trochemical devices . Several systems of lithium fastion conductors ,such as γ-Li3PO4-type sol…     

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

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.     

RECl3-SrCl2-LiCl三元系相图计算

基于对9个侧边二元系RECl₃-SrCl₂、RECl₃-LiCl、SrCl₂-LiCl(其中RE:La、Ce、Pr、Nd)热力学数据和实验相图信息的优化、评估,以及三元系相关热力学性质的分析,计算并讨论了RECl₃-SrCl₂-LiCl系列4个三元系相图。     

Experimental Study and Thermodynamic Optimization of the FeO-V_2O_3 System

Optimization of the phase diagram of FeO-V2O3 system is a part of an on-going research project to develop a self-consistent multi-component thermodynamic database for vanadium slag from hot metal.Due to the lack of experimental data for optimization,a novel experimental investigation has been carried out by thermal analysis(DSC)with a series of slags on different V2O3 contents(i.e.3mass%-12mass%).All available thermodynamic and phase diagram data for the binary systems have been simultaneously optimized with CALPHAD(Calculation of Phase Diagrams)methods to give one set of model equations for the Gibbs free energy of the liquid slag as functions of composition and temperature.The modified quasi-chemical model was used to describe the binary slag system.It was demonstrated that the calculated phase diagram with the optimized parameters was in good agreement with the experimental data.     

Luminescence properties of a new red emitting Eu~(3+)-doped alkaline-earth fluoborate phosphor: BaCa_(1-2x)BO_3F:xEu~(3+), xM~+ (M=Li, Na, K)

A series of new red-emitting BaCa1-2xBO3F:xEu3+, xM+ (M=Li, Na, K) phosphors were synthesized by the solid-reaction method. X-ray diffraction (XRD), diffuse reflection (UV-vis) and photoluminescence spectra were utilized to characterize the crystallization process, structure and luminescence properties of the as-synthesized phosphors. The XRD results indicated that the sample began to crystallize at 800 oC, and single-phase BaCaBO3F was fully obtained after annealing at 1000 oC. The charge compensated behav...