Prediction of thermodynamic and surface properties of ternary Ti–Si–Fe liquid alloy

Abstract

Thermodynamic and surface properties of the ternary Ti–Si–Fe liquid alloy have been assessed at temperatures 1873 K, 1973 K, 2073 K and 2173 K. For this purpose, the optimized linear temperature dependent coefficients of Redlich–Kister (R–K) polynomials for excess free energy of mixing for sub-binary systems Ti–Si, Fe–Si and Ti–Fe have been computed considering available experimental and literature data. The thermodynamic properties of ternary liquid alloy, such as activity have been studied using general solution model (GSM) and excess free energy of mixing has been studied using GSM, Kohler and Toop models. In surface properties, surface concentration has been computed using Butler’s equation and surface tension of the liquid alloy has been studied using all the four above mentioned models feeding the database of liquid Fe–Si, Si–Ti and Ti–Fe sub-binary systems. The values of surface tension computed using GSM and Toop model are in well agreement with each other at all concentrations. Moreover, the computed values of excess free energy of mixing and surface tension decrease at elevated temperatures from all corners and at all considered cross-sections indicating the decrease in ordering tendency of the alloy.

Surface Properties of Al–Fe–Si Liquid Alloy Using Thermodynamic Database

“…There appeared some deviations between these results and these deviations might be due to the difference in the values of input parameters, such as and . In present computations, and [33,37,38] were taken but Tanaka and Lida carried out the work taking and . Additionally, the result of this work for the surface tension of Si-Al system at 1773 K was found to be in agreement with the results of Kobatake et al [17] at higher bulk concentration of Si.…”

Optimization of thermodynamic and surface properties of ternary Ti–Al–Si alloy and its sub-binary alloys in molten state

“…for developing a thermodynamic database have proven to be very efficient; however, they also cannot provide all the required information. Therefore, the development and use of different theoretical models [ 1 , 2 , 3 , 4 , 5 , 6 , 7 , 8 , 9 , 10 , 11 ] for the optimization of different reliable data are mandatory.…”

A simple theory of mixtures for the study of the temperature dependence of thermo-structural properties of Al-Ga liquid alloy

“…To comprehend the complexities of liquid alloys, a number of models have, therefore, been employed by researchers. [1][2][3][4][5][6][7][8][9][10][11][12] In the present work, a simple theory of mixture for symmetric alloy was employed to study the thermodynamic and structural properties of aluminium-gallium (Al-Ga) alloy at 1023 K in the liquid state. 14,15 In the simple theory of mixtures, the heat of mixing is only related to the bond energies between adjacent atoms, and the interatomic distances and bond energies are independent of composition.…”