Extension of a lattice model of electrolytes to a ternary system of a salt and two solvents. The system CH3OH-H2O-LiCl

1989 ◽  
Vol 54 (6) ◽  
pp. 1464-1474
Author(s):  
Ivan Horsák
Keyword(s):  
Experimental Data ◽  
Thermodynamic Properties ◽  
Gibbs Energy ◽  
Ternary System ◽  
Lattice Model ◽  
Excess Gibbs Energy ◽  
Binary Data ◽  
Ternary Systems ◽  
Electrolyte Solutions ◽  
Ternary Contribution

A lattice model proposed to describe the thermodynamic properties of binary electrolyte solutions over the whole concentration range has been extended to ternary systems involving two solvents. The relationships derived for the excess Gibbs energy and the activity coefficients of all the components have been tested with published experimental data on vapour pressures of methanol and water in the system CH3OH-H2O-LiCl at 60 °C. Examination of the ability of the model to predict the behaviour of the ternary system on the basis of binary data has shown that the expression for the excess Gibbs energy must be extended to include a ternary contribution.

scholarly journals Calculation of the thermodynamic properties of the Ga-Sb-Tl liquid alloys

2005 ◽  
Vol 70 (1) ◽  
pp. 9-20 ◽  
Author(s):  
Dragan Manasijevic ◽  
Dragana Zivkovic ◽  
Katayama Iwao ◽  
Zivan Zivkovic
Keyword(s):  
Thermodynamic Properties ◽  
Gibbs Energy ◽  
Ternary System ◽  
Thermodynamic Model ◽  
Excess Gibbs Energy ◽  
Similarity Coefficient ◽  
Thermodynamic Calculations ◽  
Liquid Alloys ◽  
Geometric Models ◽  
Good Agreement

The results of the calculation of the thermodynamic properties for liquid Ga-Sb-Tl alloys at the temperature 1073 K are presented in this paper. Initially, the most appropriate thermodynamic model for the investigated system was selected. Based on a comparison of the values calculated by different geometric models (Kohler, Muggianu, Toop, Hillert, Chou) with the existing experimental based data, asymmetric models of calculation were determined to give the best results. The asymmetric nature of the investigated ternary system was additionally confirmed by the Chou similarity coefficient concept. For these reasons, further complete thermodynamic calculations were performed according to the Hillert model in five sections of the ternary Ga-Sb-Tl system from each corner with the mole ratio of other two components being 9:1; 7:3; 5:5; 3:7 and 1:9. The obtained results include integral excess Gibbs energy dependences on composition for all the investigated sections. The calculated activity values at 1073 K for all components are given in the form of isoactivity diagrams. Comparison between the calculated and experimentally obtained gallium activities shows good agreement.

scholarly journals Thermodynamic modeling of the Fe−Zn system using exponential temperature dependence for the excess Gibbs energy

2011 ◽  
Vol 47 (1) ◽  
pp. 1-10 ◽  
Author(s):  
Y. Tang ◽  
X. Yuan ◽  
Y. Du ◽  
W. Xiong
Keyword(s):  
Experimental Data ◽  
Liquid Phase ◽  
Binary System ◽  
Thermodynamic Properties ◽  
Gibbs Energy ◽  
Excess Gibbs Energy ◽  
Miscibility Gap ◽  
Exponential Equation ◽  
Self Consistent ◽  
Exponential Temperature Dependence

The Fe-Zn binary system was re?modeled using exponential equation Li=hi?exp(-T/?i) (i=0,1,2?) to describe the excess Gibbs energy of the solution phases and intermetallic compounds with large homogeneities. A self-consistent set of thermodynamic parameters is obtained and the calculated phase diagrams and thermodynamic properties using the exponential equation agree well with the experimental data. Compared with previous assessments using the linear equation to describe the interaction parameters, the artificial miscibility gap at high temperatures was removed. In addition, the calculated thermodynamic properties of the liquid phase were more reasonable than those resulting from all the previous calculations. The present calculations yield noticeable improvements to the previous calculations.

Phase Diagram and Research for the Ternary System of NaCl-CsCl-H2O at 50°C

2013 ◽  
Vol 706-708 ◽  
pp. 193-196 ◽  
Author(s):  
Yong Ming Zhang ◽  
Li Chun Ma ◽  
Cheng Lin Liu ◽  
Li Fang Chen ◽  
Dong Liang Shen ◽  
...  
Keyword(s):  
Experimental Data ◽  
Phase Diagram ◽  
Ternary System ◽  
Invariant Point ◽  
Equilibrium Phase ◽  
Ternary Systems ◽  
Practical Significance ◽  
Eutectic Type ◽  
Comprehensive Utilization ◽  
Isothermal Evaporation

The equilibria phase of the ternary systems NaCl-CsCl-H2O was studied at 50°C by the isothermal evaporation method. The equilibrium phase diagrams were plotted in line with the experimental data. It suggest that the phase diagram of NaCl-CsCl-H2O is the simple eutectic type where one invariant point is found to have the compositions of 12.3% NaCl, 54.1% CsCl and 33.6% H2O by mass, respectively. The study provide fundamental thermodynamic data of brine system that contains sodium and cesium, and has practical significance for the brine’s comprehensive utilization.

Evaluation of the Thermodynamic Properties and Phase Equilibria of the Ordered γ’ and Disordered γ Phases in the Ni-Al-Ta System

2002 ◽  
Vol 755 ◽  
Author(s):  
Shihuai Zhou ◽  
Long-Qing Chen ◽  
Rebecca A. MacKay ◽  
Zi-Kui Li u
Keyword(s):  
Experimental Data ◽  
Thermodynamic Properties ◽  
Gibbs Energy ◽  
Phase Equilibria ◽  
Phase Diagrams ◽  
Gibbs Energy Function ◽  
Ternary Interaction ◽  
Two Phases ◽  
Rich Side ◽  
Good Agreement

ABSTRACTThe phase equilibria and thermodynamic properties of the ternary Ni-Al-Ta system on Ni-rich side were analyzed. Thermodynamic descriptions of the liquid, γ-fcc, γ'-L12, and π-Ni6AlTa phases were obtained using the CALPHAD (CALculation of PHase Diagrams) technique. The thermodynamics of γ-fcc and γ'-L12 phases were modeled with a single Gibbs energy function taking into account the crystallographic relation between the two phases. The ternary interaction parameters of the liquid and fcc phases were also determined. The calculated phase diagrams of the ternary Ni-Al-Ta system show a good agreement with experimental data.

Evaluation of Wagner Interaction Parameter in Fe-Mn-Si-Nb-Ti-V-C System

2005 ◽  
Vol 475-479 ◽  
pp. 3327-3330 ◽  
Author(s):  
Sang Hwan Lee ◽  
Kyung Sub Lee ◽  
Kyung Jong Lee
Keyword(s):  
Gibbs Energy ◽  
Thermodynamic Model ◽  
Lattice Model ◽  
Excess Gibbs Energy ◽  
Chemical Potential ◽  
Solution Model ◽  
Interaction Parameters ◽  
Dilute Solution ◽  
Relationship Of ◽  
The Relationship

The dilute solution model is quite widely used because the chemical potential is more easily defined than that in the sub-lattice model. In the present study, the thermodynamic model for the Fe-Mn-Si-Nb-Ti-V-C system was conducted by evaluating Wagner interaction parameters. The data used in this work was collected and modified by means of TCFE 2000-database in Thermo-Calc and up-to date references. The relationship of interaction parameters(L) in the sub-lattice model and Wagner interaction parameters in the dilute solution model was derived. The composition dependency of reference state and the higher order interaction parameters of the excess Gibbs energy were considered to evaluate Wagner interaction parameters. The equilibrium compositions of austenite and fractions of phases and the dissolution temperature of precipitates(NbC, VC, and TiC) were evaluated by the dilute solution model and compared with the results by the sub-lattice model.

scholarly journals Thermodynamics and phase diagram calculation of the binary arsenic-tellurium system in the framework of the generalized lattice model

2021 ◽  
Vol 2052 (1) ◽  
pp. 012015
Author(s):  
N V Gerasimov ◽  
M A Zakharov
Keyword(s):  
Experimental Data ◽  
Phase Diagram ◽  
Thermodynamic Properties ◽  
Thermodynamic Parameters ◽  
Lattice Model ◽  
Binary Phase Diagram ◽  
Phase Diagram Calculation ◽  
Binary Phase ◽  
Good Agreement

Abstract In this work we describe how to efficiently calculate thermodynamic properties and T-x diagram of binary As-Te solution in the generalized lattice model. All the thermodynamic parameters of the As-Te solution are obtained within framework of the generalized lattice model. The binary phase diagram of As-Te system is calculated and good agreement with experimental data is obtained.

Comparison of Modelled and Experimental Data for the NixRu1-xAl Intermetaixic Compound in the Ni-Ru-Al Ternary System

1995 ◽  
Vol 39 ◽  
pp. 747-753
Author(s):  
A. S. Harte ◽  
P. M. Hung ◽  
I. J. Horner ◽  
N. Hall ◽  
L. A. Cornish ◽  
...  
Keyword(s):  
Experimental Data ◽  
Ternary System ◽  
Intermetallic Compounds ◽  
Single Phase ◽  
Ternary Systems ◽  
Using Data

A program was developed to predict d-spacings and intensities for peaks of binary phases, using data of the stoichiometric compositions as a basis, and was extended for ternary systems. Predicted data were compared with results from a series of alloys in the Ni-Ru-Al system, spanning the system near 50 atomic % aluminum, to ascertain the extension of the RuAl and NiAl intermetallic compounds into the ternary system. The microstructures mainly appeared cored, and one sample was single phase.The program enabled easy identification of the peaks, and also allowed comparison of experimental data with predicted ordered and random spectra.

A Contribution to the Study of Ternary Saturated Electrolyte Solutions

1999 ◽  
Vol 54 (8-9) ◽  
pp. 485-487 ◽  
Author(s):  
J. Eysseltová ◽  
M. Ebert
Keyword(s):  
Phase Transitions ◽  
Ternary System ◽  
Ternary Systems ◽  
Electrolyte Solutions ◽  
Second Order ◽  
Saturated Solution ◽  
Concentrated Electrolyte Solutions ◽  
Common Ion ◽  
Solubility Isotherms

A quantity has been introduced, whose dependence on the composition along the branches of the solubility isotherms of ternary systems consisting of two salts with a common ion and water exhibits breaks, which can be explained by the introduction of a previously unobserved configuration of the ternary saturated solution. In the respective region, a saturated solution in a ternary system may undergo second-order phase transitions to achieve specific configurations that are not derived from the structure of the binary saturated solution of the particular solute. It is assumed that further study of this phenomenon could contribute to a better understanding of the processes occurring in concentrated electrolyte solutions.

scholarly journals Modelling thermodynamic properties of binary Cu–Eu and ternary Al–Cu–Eu melts

2020 ◽  
Vol 8 (2) ◽  
pp. 73-82
Author(s):  
Natalia Kotova ◽  
Natalia Golovata ◽  
Natalia Usenko
Keyword(s):  
Thermodynamic Properties ◽  
Gibbs Energy ◽  
Excess Gibbs Energy ◽  
Model Calculations ◽  
Gibbs Energies ◽  
Excess Gibbs Energies ◽  
Energy Of Mixing ◽  
Gibbs Energy Of Mixing ◽  
Associated Solution Model ◽  
Associated Solution

Model calculations of the whole set of thermodynamic properties of liquid alloys for the binary Cu–Eu and ternary Al–Cu–Eu systems have been performed. Authors used the ideal associated solution model (IAS model) for calculation of the entropies and excess Gibbs energies of mixing for these systems. The binaries were given as the Redlich-Kister polynomials. The thermodynamic properties for the ternary system are described using the Redlich-Kister-Muggianu formalism. A comparison of the surfaces of excess Gibbs energy and entropy of mixing for liquid Al–Cu–Eu alloys at 1350 K demonstrates that the ordering related to the formation of rather strong associates in the Al–Eu system significantly affects the concentration dependence of the excess Gibbs energy of mixing in the liquid phase at this temperature.

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