Thermodynamic Calculation of Bi-Au-Lu, Nd Ternary Systems

2016 ◽  
Vol 850 ◽  
pp. 444-451
Author(s):  
Shu Liang Wang ◽  
Lu Jiang Zhou ◽  
Jia Lian Li ◽  
Xiao Hong Wang ◽  
Yuan Hua Lin ◽  
...  
Keyword(s):  
Phase Diagram ◽  
Intermetallic Compounds ◽  
Binary Systems ◽  
Ternary Systems ◽  
Free Energies ◽  
Gibbs Energies ◽  
Solution Models ◽  
New Type ◽  
Free Solder ◽  
Kister Equation

With available melting point and hardness, the Bi-based filler alloy is considered as one choice of high-temperature Pb-free solder. Phase diagram can play an important role in the design of new type of Pb-free solder.In the present work, the thermodynamic assessments of the Au-Nd and the Au-Lu binary systems have been carried out by the Calculation of Phase Diagram (CALPHAD) method based on the available experimental data. The Gibbs free energies of the solution phases were described by subregular solution models with the Redlich-Kister equation, and those of the intermetallic compounds were described by sublattice models. A set of self-consistent and reasonable thermodynamic parameters is obtained for the binary systems, which describes the Gibbs energies of the solution phases and the intermetallic compounds phases. Additionally, combined the reported Bi-Au, Bi-Lu and Bi-Nd binary systems, the thermodynamic database of the Bi-Au-Lu and the Bi-Au-Nd ternary systems have been developed, which will provide important thermodynamic information for the phase equilibria of the multicomponent Bi-based alloy systems.

Thermodynamic Study of Ag-Au-Gd, Tb Ternary Systems

2015 ◽  
Vol 814 ◽  
pp. 313-318 ◽  
Author(s):  
Jia Lian Li ◽  
Shu Liang Wang ◽  
Lu Jiang Zhou ◽  
Xiao Hong Wang ◽  
Yuan Hua Lin ◽  
...  
Keyword(s):  
Phase Diagram ◽  
Phase Diagrams ◽  
Binary Systems ◽  
Lattice Models ◽  
Ternary Systems ◽  
Calculated Phase Diagram ◽  
Thermodynamic Database ◽  
Filler Alloy ◽  
Free Energies ◽  
Significant Information

The addition of the rare earth elements into the Ag-based filler alloy, which is typical and important, can control and eliminate the negative effect of impurity elements, and furthermore, it improves the spreading property of the Ag-based filler alloy. Phase diagram provides an important direction for materials design of the Ag-based filler alloy. Thus it is necessary to investigate the phase diagrams and construct the thermodynamic database. On the basis of this background, thermodynamic assessments of the Au-Gd, Tb binary systems were carried out by using the CALPHAD (Calculation of Phase Diagrams) method based on the experimental data including thermodynamic properties and phase equilibrium. The Gibbs free energies of the solution phases were described by sub-regular solution models with the Redlich-Kister equation, while all of the intermetallic compounds were described by sub-lattice models. A consistent set of thermodynamic parameters was derived from describing the Gibbs free energies of each solution phase and intermetallic compound. The calculated phase diagram achieved consistency with the available experiments. Then combined with the assessed relevant binary systems, the Ag-Au-Gd, Tb ternary systems have been predicted. The thermodynamic database of these ternary systems has been developed to present the significant information for the design of Ag-based filler alloys.

Calculation of phase diagrams and thermodynamic properties of 14 additive and reciprocal ternary systems containing Li2CO3, Na2CO3, K2CO3, Li2SO4, Na2SO4, K2SO4, LiOH, NaOH, and KOH

1984 ◽  
Vol 62 (3) ◽  
pp. 457-474 ◽  
Author(s):  
A. D. Pelton ◽  
C. W. Bale ◽  
P. L. Lin
Keyword(s):  
Phase Diagram ◽  
Thermodynamic Properties ◽  
Molten Salt ◽  
Phase Diagrams ◽  
Binary Systems ◽  
Ternary Phase ◽  
Ternary Phase Diagram ◽  
Ternary Systems ◽  
Maximum Error ◽  
Critical Assessment

Phase diagrams and thermodynamic properties of five additive molten salt ternary systems and nine reciprocal molten salt ternary systems containing the ions Li+, Na+, [Formula: see text], OH− are calculated from the thermodynamic properties of their binary subsystems which were obtained previously by a critical assessment of the thermodynamic data and the phase diagrams in these binary systems. Thermodynamic properties of ternary liquid phases are estimated from the binary properties by means of the Conformal Ionic Solution Theory. The ternary phase diagrams are then calculated from these thermodynamic properties by means of computer programs designed for the purpose. It is found that a ternary phase diagram can generally be calculated in this way with a maximum error about twice that of the maximum error in the binary phase diagrams upon which the calculations are based. If, in addition, some reliable ternary phase diagram measurements are available, these can be used to obtain small ternary correction terms. In this way, ternary phase diagram measurements can be smoothed and the isotherms drawn in a thermodynamically correct way. The thermodynamic approach permits experimental data to be critically assessed in the light of thermodynamic principles and accepted solution models. A critical assessment of error limits on all the calculated ternary diagrams is made, and suggestions as to which composition regions merit further experimental study are given.

Chemical stability of CuInS2 in oxygen at 298 K

1997 ◽  
Vol 12 (2) ◽  
pp. 355-363 ◽  
Author(s):  
J. Grzanna ◽  
H. Migge
Keyword(s):  
Phase Diagram ◽  
Crystal Growth ◽  
Phase Equilibria ◽  
Chemical Stability ◽  
Quaternary System ◽  
Ternary Systems ◽  
Free Energies ◽  
Two Phase ◽  
Partial Pressures

A thermochemical analysis is performed in the quaternary system Cu–In–S–O at 298 K, including the respective four ternaries. The Cu–In phase diagram is updated with respect to the new experimental as well as to the new thermochemical results in the literature. Free energies of In6S7, In2.8S4, CuIn2, and Cu2In2O5 have been estimated. Consistent sets of data are used for the calculations of the ternary systems with the program thermo, and the results are used to calculate the quaternary tetrahedron Cu–In–S–O with the program thermoq; the algorithm is given. Twelve quaternary two-phase equilibria have been found. They are used to calculate predominance area diagrams of the quaternary system with the program stadiaq for different oxygen partial pressures. The algorithm of this program is given. From these diagrams it becomes obvious that CuInS2 is unstable in air and even in UHV systems and should react to form In2(SO4)3 and Cu2S at oxygen pressures larger than log p (pascal) = −51.5. The results are useful for research in fields such as oxidation and crystal growth of CuInS2 and for development of processes for producing this compound.

Thermodynamic Calculation of the Rare Earth Permanent Magnets: Fe-RE (RE=Ho, Er, Tm, Sm) Binary Systems

2017 ◽  
Vol 898 ◽  
pp. 1042-1047
Author(s):  
M.H. Rong ◽  
X.L. Chen ◽  
Jiang Wang ◽  
S.D. Lin ◽  
G.H. Rao ◽  
...  
Keyword(s):  
Experimental Data ◽  
Phase Diagram ◽  
Thermodynamic Properties ◽  
Thermodynamic Calculation ◽  
Binary Systems ◽  
Permanent Magnets ◽  
Ternary Systems ◽  
Calculated Phase Diagram ◽  
Experimental Information ◽  
Microstructure And Magnetic Properties

The experimental data of phase equilibria and thermodynamic properties of the Fe-RE (RE=Ho, Er, Tm, Sm) binary systems were reviewed. The previous thermodynamic calculation of the Fe-RE (RE=Ho, Er, Tm, Sm) binary systems were discussed based on the comparison of the calculated phase diagram and thermodynamic properties with the experimental data. The compared results show that more experimental information of phase diagram and thermodynamic properties in the Fe-RE (RE=Ho, Er, Tm, Sm) binary systems should be determined and then thermodynamic re-calculation of these binary systems would be performed to develop compatible and available thermodynamic database of the RE-Fe-B ternary systems. It is indispensable to study the relations between alloy compositions, microstructure and magnetic properties of novel Nd-Fe-B-based permanent magnets.

scholarly journals Thermodynamic assessment of the Al-Mo-V ternary system

2017 ◽  
Vol 53 (2) ◽  
pp. 95-106 ◽  
Author(s):  
B. Hu ◽  
B. Yao ◽  
J. Wang ◽  
J.-R. Zhao ◽  
F.-F. Min ◽  
...  
Keyword(s):  
Ternary System ◽  
Binary Systems ◽  
Thermodynamic Assessment ◽  
Experimental Information ◽  
Reaction Scheme ◽  
Experimental Phase Equilibria ◽  
Solution Models ◽  
Almost All ◽  
Kister Equation ◽  
Optimal Set

Thermodynamic assessment of the Al-Mo-V ternary system was performed by means of the CALPHAD (CALculation of PHAse Diagram) approach based on the thermodynamic descriptions of three constitutive binary systems (Al-Mo, Al-V and Mo-V) as well as the experimental phase equilibria data available in the literature. The solution phases, i.e. liquid, bcc (Mo, V) and fcc (Al), were described using the substitutional solution models with the Redlich-Kister equation. The binary phases in the Al-Mo and Al-V systems with the solubilities of the third element were modeled using the sublattice models. An optimal set of thermodynamic parameters for the Al-Mo-V system was obtained. Six isothermal sections at 1200, 1000, 750, 715, 675 and 630?C and liquidus projection with isotherm were calculated. The reaction scheme for the entire Al-Mo-V system was also constructed. Comparisons between the calculated and measured phase diagrams indicated that almost all the reliable experimental information was satisfactorily accounted for by the present modeling.

scholarly journals THERMODYNAMIC MODELING OF OXIDE MELTS OF CaO - Al2O3 - SiO2 SYSTEMS

2019 ◽  
Vol 63 (1) ◽  
pp. 45-50
Author(s):  
Svetlana E. Pratskova ◽  
Vladimir A. Burmistrov ◽  
Anna A. Starikova
Keyword(s):  
Phase Diagrams ◽  
Thermodynamic Modeling ◽  
Binary Systems ◽  
Thermodynamic Description ◽  
Ternary Systems ◽  
Oxide Melt ◽  
State Diagrams ◽  
Gibbs Energies ◽  
Metallurgical Slags ◽  
Oxide Melts

Oxide melts of the CaO – Al2O3 – SiO2 system are the basis of metallurgical slags. Therefore, the thermodynamic properties of this system have been repeatedly studied experimentally, and attempts have been made to describe them theoretically. Thermodynamic modeling of the state diagrams of the CaO – Al2O3, CaO – SiO2, Al2O3 – SiO2 binary systems, as well as the CaO – Al2O3 – SiO2 ternary system was performed. In the course of the work, expressions for the thermodynamic description of the activities of the components of the oxide melt of this system are derived. For the calculation, a generalized theory of regular ionic solutions was used. The energy parameters of the theory are determined, depending on the temperature and composition of the solution, using experimental data on the heat and melting point of oxides of calcium, aluminum and silicon. According to the results of the simulation, the coordinates of the points of nonvariant transformations in the phase diagrams of the binary and ternary systems under study are determined. The obtained results on thermodynamic modeling of the coordinates of the liquidus lines of the phase diagrams of the CaO – Al2O3, CaO – SiO2, Al2O3 – SiO2 binary systems were compared with the literature data for the studied systems. The calculated diagrams are in good agreement with the experimental ones, which indicates the applicability of the chosen system for the description of such oxide melts. The modeling technique used in this work allowed to estimate the Gibbs energies of formation of silicates and calcium aluminum silicates to be 3Al2O3∙2SiO2, 3CaO∙SiO2, 2CaO∙SiO2, 3CaO∙2SiO2, CaO∙SiO2, CaO∙Al2O3∙2SiO2, 2CaO∙Al2O3∙SiO2 on the base of obtained aquations for of activities of the components and calculated parameters of the theory. The calculated diagrams will allow to determine the nature of the interaction between the components of the system, the conditions of formation, the composition and properties of the compounds formed, without isolating them from the system.

Notizen: Excess Free Energies in Molten CuCl-KCl-LiCl by EMF Measurements

1983 ◽  
Vol 38 (1) ◽  
pp. 88-89 ◽  
Author(s):  
Z. Giazitzoglou ◽  
H. Engels ◽  
U. Schiller
Keyword(s):  
Activity Coefficients ◽  
Binary Systems ◽  
Liquid System ◽  
Free Energies ◽  
Emf Measurements ◽  
Kister Equation ◽  
Best Fit

Abstract The ternary liquid system CuCl-KCl-LiCl has been investigated by means of emf measurements at about 450 up to 700 °C. Excess free energies and activity coefficients for molten CuCl in the KCl-LiCl eutectic are calculated by a best fit to the obtained data and from literature data for the corresponding binary systems employing the Redlich-Kister equation.

Excess Gibbs Free Energies of Selected Binary Halogenated Silane Mixtures at 101.3KPa

2011 ◽  
Vol 391-392 ◽  
pp. 170-174
Author(s):  
Zong Jian He ◽  
Li Ping Yu ◽  
Yan Fen Wu ◽  
Xiao Hong Zeng
Keyword(s):  
Vapor Phase ◽  
Binary Systems ◽  
Mixing Rules ◽  
Free Energies ◽  
Point Temperature ◽  
Wilson Model ◽  
Solution Models ◽  
Liquid Phase Composition ◽  
Work Interaction

Prediction of the behavior of systems containing halogenated silanes required modification of the mixing rules used for solution models. In this work, interaction parameters for the characterization of binary systems of methylvinyldichlorosilane, methyltrichlorosilane, methyldichlorosilane and toluene at 101.3 kpa were evaluated accounting for the ideality of the vapor phase. The experimental measurements of liquid phase composition and bubble point temperature were found to be well represented by the Wilson model. Computed values of the vapor phase mole fractions, activity coefficients and excess Gibbs free energies from the model were presented and discussed.

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