Calculation of Gibbs energy of ZrAlNi, ZrAlCu, AlNiCu and ZrAlNiCu liquid alloys based on quasiregular solution model

2007 ◽  
Vol 428 (1-2) ◽  
pp. 185-189 ◽  
Author(s):  
H.Q. Li ◽  
Y.S. Yang ◽  
W.H. Tong ◽  
Z.Y. Wang
Keyword(s):  
Gibbs Energy ◽  
Solution Model ◽  
Liquid Alloys

Thermodynamic and structural properties of liquid Al–Au alloys

2017 ◽  
Vol 31 (20) ◽  
pp. 1750134
Author(s):  
B. A. Olajire ◽  
A. A. Musari
Keyword(s):  
Gibbs Energy ◽  
Hard Sphere ◽  
Lattice Theory ◽  
Short Range ◽  
Short Range Order ◽  
Relevant Information ◽  
Liquid Alloys ◽  
Mixing Properties ◽  
Potential Perturbation ◽  
Pseudo Potential

The mixing properties of liquid Al–Au alloys with respect to the concentration of each constituent is determined using a method based on hard sphere system and pseudo-potential perturbation. These models were used to get relevant information on mixing properties of the Al–Au alloys like the Gibbs energy and the entropy of mixing. The concentration fluctuations, chemical short range order for the hard sphere mixture (quasi-lattice theory) and the activity are calculated to know the extent of order in the liquid alloys. The results revealed that there is a degree of ordering in liquid Al–Au alloy (hetero-coordinated).

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 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 MODELING OF THERMODYNAMIC PROPERTIES OF THE MELTS OF TERNARY Ge-Mn-Gd SYSTEM

2019 ◽  
pp. 18-22
Author(s):  
N. Golovata ◽  
N. Kotova ◽  
N. Usenko
Keyword(s):  
Thermodynamic Properties ◽  
Gibbs Energy ◽  
Ternary System ◽  
Binary Systems ◽  
Thermodynamic Characteristics ◽  
Published Data ◽  
Liquid Alloys ◽  
Model Calculations ◽  
Enthalpies Of Mixing ◽  
Gibbs Energies

In the present work, the Gibbs energies of mixing of liquid alloys of the Ge-Mn-Gd ternary system were determined, which was made on the basis of an analysis of published data on the thermodynamic properties of liquid alloys of boundary binary systems that form the ternary Ge-Mn-Gd, as well as on the basis of the model calculations in these binary systems. To determine the activities of the components, the Gibbs energies of mixing, and the enthalpies of mixing of liquid alloys of the Ge-Mn(Gd) systems, for which alloying process is accompanied by significant heat release, an ideal associated solution model was applied. For the melts of the Mn-Gd system, which are characterized by rather insignificant exothermic effects, a model of regular solutions was used. The surface of the Gibbs energy of mixing for the alloys of the Ge-Mn-Gd ternary system has been determined on the basis of the concentration dependences of the Gibbs energies of mixing obtained for constituent binary systems under the assumption of additivity of pair interactions using the Redlich-Kister-Muggianu method. The obtained topology of the Gibbs energy isolines projections is compared with the thermochemical properties of liquid alloys of this system that we have determined earlier. A comparative analysis of the topology of these surfaces in the Ge-Mn-Gd system led to the conclusion that the surfaces of ΔG and ΔmH monotonically decrease from the manganese-rich angle of the diagram towards the Ge-Gd side of the concentration triangle. The minimum value of the thermodynamic characteristics of mixing of the ternary liquid alloys corresponds to the composition, which coincides with the composition of the most stable intermetallic compound in the Ge-Gd system. From the course of isolines of free energies and integral enthalpies of mixing, one can also conclude about the influence of a short-range order, existed in the Ge-Mn system near the composition with a mole fraction of mangan greater than 0.7, on the properties of ternary alloys in the vicinity of this composition. Thus, the topology of isolines and the large exothermic values of the obtained thermodynamic properties allow us to make a reasonable conclusion that the strong interaction between unlike components inherent in the Ge-Gd system in the solid state is also maintained for liquid alloys of the Ge-Mn-Gd system.

scholarly journals Estimation of viscosity for some silicate ternary slags

2014 ◽  
Vol 50 (2) ◽  
pp. 139-144 ◽  
Author(s):  
Q. Shu ◽  
L. Wang ◽  
K.C. Chou
Keyword(s):  
Experimental Data ◽  
General Solution ◽  
Gibbs Energy ◽  
Binary Systems ◽  
Geometrical Model ◽  
Solution Model ◽  
Mean Deviation ◽  
Model Parameters ◽  
General Solution Model ◽  
Good Agreement

A new method, combining KTH model with geometrical model (General solution model by Chou) to estimate viscosity of some ternary silicate slags, was proposed in this work. According to modified KTH model, viscous Gibbs free energy for mixing of ternary slags was estimated by employing general solution model. It was found that viscous Gibbs energy for mixing of ternary system could be calculated using solely viscous Gibbs energy for mixing of sub-binary systems. The viscosities of five ternary slags CaO-MnO-SiO2, CaO-FeO-SiO2, FeO-MnO-SiO2, CaO-MgO-SiO2 and FeO-MgO-SiO2 were estimated in the present work. A good agreement with available experimental data, with mean deviation less than 20%, was achieved. The modified KTH model has advantages with less model parameters and improved estimation ability by comparison to original KTH model.

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