Computation of infinite dilute activity coefficients for Ga-X (X= In, Tl) and thermodynamic activities of all components in liquid Ga-In-Tl alloys

TL;DR

This paper predicts thermodynamic activities and infinite dilute activity coefficients in Ga-In-Tl liquid alloys using molecular interaction volume and complex formation models, aligning well with experimental data.

Contribution

It introduces a combined approach using MIVM and complex formation models to accurately predict activities in Ga-In-Tl alloys, extending understanding of their thermodynamics.

Findings

Predicted thermodynamic activities at multiple temperatures.

Computed activity coefficients agree with experimental data.

Revealed composition-dependent short-range order in the system.

Abstract

The thermodynamic activities of all components in Ga-In-Tl system have been predicted at 1073, 1173 and 1273 K, using Molecular interaction volume model (MIVM). The infinite dilute activity coefficients for Ga-In and Ga-Tl binary subsystems, which were needed for the determination of thermodynamic activities of all components in Ga-In-Tl, have been predicted by using a method that is based on Complex formation model for liquid alloys. The computed thermodynamic activities of Ga in Ga-In-Tl were observed to satisfactorily agree with the available experimental data when the newly computed coefficients were applied in MIVM. The satisfactory prediction of the activity of Ga led to the prediction of the activities of the remaining two components (In and Tl). Iso-activities of all components (Ga, In and Tl) were plotted, and they reveal the dependence of the nature of chemical short range order in Ga-In-Tl system on composition.