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1.
Heliyon ; 7(3): e06613, 2021 Mar.
Artigo em Inglês | MEDLINE | ID: mdl-33869849

RESUMO

Temperature-dependent interaction parameters of Redlich-Kister (R-K) polynomials for Li-Mg alloy in liquid phase have been optimized using experimental data in the framework of linear and exponential models. These parameters have then been used to compute the thermodynamic properties (excess Gibbs free energy of mixing, enthalpy of mixing and activity) and structural property (concentration fluctuations in the long-wavelength limit) of the alloy at temperatures 1000 K, 1300 K, 1600 K, 1900 K, and 2200 K. The negative values of excess Gibbs free energy of mixing computed using linear T-dependent parameters increases with the rise in the temperature of the system beyond 1000 K while the same physical quantity computed using the exponential T-dependent interaction parameters decreases with the rise in temperatures and does not show any unusual trends up to 2200 K. Similar behavior has been found in the case of other thermodynamic and structural functions. The unusual behavior that appears in the thermodynamic and structural functions computed using linear T-dependent parameters can be eliminated if these functions are computed using exponential T-dependent parameters.

2.
Heliyon ; 6(8): e04674, 2020 Aug.
Artigo em Inglês | MEDLINE | ID: mdl-32802990

RESUMO

The surface tension and viscosity of Cu-Fe-Si ternary alloys were computed at different temperatures using thermodynamic approaches. The thermodynamic data of the alloy were optimized in the framework of the Redlich-Kister (R-K) polynomials and exponential temperature dependent coefficients of the R-K polynomial were obtained. These coefficients were used to compute the excess Gibbs free energy of mixing of the alloy and the partial excess free energy of the components. The partial excess free energy so obtained was used to compute the surface tension of the ternary Cu-Fe-Si alloy system and its binary sub-systems. The enthalpy of mixing was also optimized and it was used to compute the viscosity of the sub-binary and ternary alloys.

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