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.

scholarly journals Liquid Regions of Lanthanum-Bearing Aluminosilicates

Materials ◽  
2020 ◽  
Vol 13 (2) ◽  
pp. 450
Author(s):  
Yandong Li ◽  
Tongsheng Zhang ◽  
Yefeng Feng ◽  
Chengjun Liu ◽  
Maofa Jiang
Keyword(s):  
Phase Diagram ◽  
Solid Oxide Fuel Cells ◽  
Phase Diagrams ◽  
Binary Systems ◽  
Ternary Phase ◽  
Ternary Phase Diagram ◽  
Energy Dispersive Spectrometer ◽  
Liquid Region ◽  
X Ray Diffraction ◽  
Calculated Liquid

The Al2O3-SiO2, La2O3-Al2O3, and La2O3-SiO2 binary phase diagrams were estimated by Redlich–Kister expression. La4.67Si3O13 (=La4.67(SiO4)3O) was introduced to improve the existing phase diagrams. The Al2O3-SiO2-La2O3 ternary phase diagram extrapolated by Kohler method was optimized. Then, the liquidus of Al2O3-SiO2-La2O3 system at 1600 °C was compared with Al2O3-SiO2-RE2O3 (RE = Rare Earth Elements) systems and experimental results in other literature. The high temperature experiments were conducted in the tube furnace at 1500 °C. Then the field emission scanning electron microscope (FE-SEM), energy dispersive spectrometer (EDS), and X-ray diffraction (XRD) were employed to verify the calculated liquid region and precipitates phase at 1500 °C. Moreover, the liquidus of binary systems were compared with FactSage results and experiments. The optimized ternary phase diagram shows the relatively reliable region of liquid phase, and it is significant to the seal glass of solid oxide fuel cells and other fields being related to RE containing silicates.

Liquidus Temperature Calculation in Sn-Bi-Cd System by ESTPHAD Method

2014 ◽  
Vol 790-791 ◽  
pp. 265-270
Author(s):  
Eszter Tatárka ◽  
Tamás Mende ◽  
András Roósz
Keyword(s):  
Phase Diagram ◽  
Phase Diagrams ◽  
Iteration Method ◽  
Liquidus Temperature ◽  
Binary Systems ◽  
Ternary Phase ◽  
Ternary Phase Diagram ◽  
Eutectic Point ◽  
Temperature Calculation ◽  
Binary Phase Diagrams

This paper includes the binary and ternary liquidus temperature calculations of Sn-Bi-Cd system. The calculation was performed in cases of the surfaces of Sn, Bi and Cd phases too. First of all the liquidus curves were calculated in the binary systems (Bi phase in Bi-Cd and Bi-Sn systems, Sn phase in Sn-Cd and Sn-Bi systems, Cd phase in Cd-Sn and Cd-Bi systems). By using the calculated coefficients of the binary phase diagrams and the data from the digitalized ternary phase diagram, the liquidus temperature of Sn, Bi and the Cd phases were calculated. Finally the eutectic point of the binary liquidus curves and the eutectic valley of the Sn and the Bi surfaces were calculated by means of an iteration method.

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.

Thermodynamic Analysis of the Fe-Mn-P Ternary Phase Diagram by Combining the First-Principles and CALPHAD Methods

2007 ◽  
Vol 561-565 ◽  
pp. 1899-1902 ◽  
Author(s):  
T. Tokunaga ◽  
N. Hanaya ◽  
Hiroshi Ohtani ◽  
Mitsuhiro Hasebe
Keyword(s):  
Experimental Data ◽  
Phase Diagram ◽  
Ternary System ◽  
Thermodynamic Analysis ◽  
First Principles ◽  
Binary Systems ◽  
Ternary Phase ◽  
Ternary Phase Diagram ◽  
First Principles Calculations ◽  
The Enthalpy Of Formation

A thermodynamic analysis of the Fe-Mn-P ternary system has been carried out using the CALPHAD method. Among the three binary systems relevant to this ternary phase diagram, the thermodynamic parameters of the Mn-P binary system were evaluated in this study. The enthalpy of formation of the binary phosphides obtained from our first-principles calculations was utilized in the present analysis to compensate for the lack of available experimental data. The thermodynamic descriptions of the Fe-Mn and Fe-P binary systems were taken from previous studies. The phase equilibria in the Fe-Mn-P ternary system were analysed based on the experimental data on the phase boundaries. The calculated phase diagrams are in agreement with the experimental results.

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.

Phase diagram measurements and thermodynamic analysis of the PbCl2–NaCl, PbCl2–KCl, and PbCl2–KCl–NaCl systems

1985 ◽  
Vol 63 (11) ◽  
pp. 3276-3282 ◽  
Author(s):  
Armand Gabriel ◽  
Arthur D. Pelton
Keyword(s):  
Phase Diagram ◽  
Thermodynamic Properties ◽  
Binary Data ◽  
Binary Systems ◽  
Ternary Phase Diagram ◽  
Correction Term ◽  
Cooling Curve ◽  
Mathematical Expressions ◽  
Solution Equation ◽  
Thermodynamic Phase

The phase diagrams of the PbCl2–NaCl and PbCl2–KCl systems have been measured by the cooling curve technique. In addition, a number of measurements at compositions in the ternary system PbCl2–KCl–NaCl have been made. The binary data have been analysed along with other available thermodynamic data for the binary systems in order to obtain mathematical expressions for the binary thermodynamic properties. Various estimation procedures were then used to calculate the Gibbs energy of the ternary liquid from the binary expressions, and the ternary phase diagram calculated therefrom was compared to the experimental ternary points. In the case of the Conformal Ionic Solution equation, agreement was within 3 °C at all measured points. In the case of two "geometric" estimation techniques, the Kohler and Toop equations, agreement was within 10 °C but could be brought to within 3 °C by the addition of only one small adjustable ternary correction term. The technique of coupled thermodynamic/phase diagram analysis permits a large reduction in the amount of experimental work necessary to measure the ternary diagram. In addition, the ternary thermodynamic expressions developed can be used to calculate all thermodynamic properties of the ternary liquid.

A new 1 : 1 cocrystal of lamotrigine and 1,2,3,6-hydrophthalimide: discovery, characterization, and construction of ternary phase diagrams

CrystEngComm ◽  
2020 ◽  
Vol 22 (15) ◽  
pp. 2681-2688
Author(s):  
Wenjie Kuang ◽  
Shaochang Ji ◽  
Yufeng Wei ◽  
Jinyan Zhang ◽  
Ping Lan
Keyword(s):  
Phase Diagram ◽  
Phase Diagrams ◽  
Ternary Phase ◽  
Ternary Phase Diagram ◽  
Ternary Phase Diagrams

A 1 : 1 cocrystal of lamotrigine (LAM) with 1,2,3,6-tetrahydrophthalimide (HPHT) was first successfully synthesized. The ternary phase diagram of the cocrystal was constructed, and its stability and dissolution were determined.

Using phase boundary mapping to resolve discrepancies in the Mg2Si–Mg2Sn miscibility gap

2021 ◽  
Author(s):  
Rachel Orenstein ◽  
James P. Male ◽  
Michael Toriyama ◽  
Shashwat Anand ◽  
G. Jeffrey Snyder
Keyword(s):  
Phase Diagram ◽  
Phase Boundary ◽  
Ternary Phase ◽  
Ternary Phase Diagram ◽  
Miscibility Gap ◽  
Boundary Mapping

A new understanding of the MgSi–MgSn miscibility gap is reached through phase boundary mapping the Mg–Si–Sn ternary phase diagram.

scholarly journals Part II. Model for the Protective Coating Formation During Hot Dip Galvanizing/ Część II. Model Formowania Powłoki Ochronnej Podczas Cynkowania Ogniowego

2014 ◽  
Vol 59 (4) ◽  
pp. 1393-1404 ◽  
Author(s):  
W. Wołczynski ◽  
Z. Pogoda ◽  
G. Garzeł ◽  
B. Kucharska ◽  
A. Sypien ◽  
...  
Keyword(s):  
Phase Diagram ◽  
Mass Balance ◽  
Protective Coating ◽  
Mathematical Description ◽  
Ternary Phase ◽  
Ternary Phase Diagram ◽  
Solute Redistribution ◽  
Zinc Bath ◽  
Flux System ◽  
Coating Formation

Abstract A mathematical description for the (Zn) - coating formation with the presence of flux in the zinc bath is presented. This description includes the progressive vanishing of the products of the flux disintegration. A function which expresses the flux vanishing is formulated. The solidification of some phase sub-layers in the (Zn) - coating is considered with the use of a hypothetical pseudo-ternary phase diagram Fe-Zn-flux. Some relationships are formulated to define the varying Zn - solute redistribution as observed across the sub-layers. The relationships are based on the mass balance analyzed for the coating / bath / flux system. An amount of the growing phase in a given sub-layers is also defined mathematically.

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