Theoretical Modeling to Predict the Thermodynamic, Structural, Surface and Transport Properties of the Liquid Tl−Na Alloys at different Temperatures

Theoretical modeling equations are developed by extending regular associated solution model to predict the thermodynamic and structural properties of the liquid Tl−Na alloys at higher temperatures. The thermodynamic properties have been predicted by computing activities of unassociated monomers (a Tl and a Na ) and free energy of mixing (G M ) at temperatures 673 K, 773 K, 873 K and 973 K. The structural properties have been predicted by computing concentration fluctuation in long wavelength limit (S CC (0)), short range order parameter (α 1 ) and ratio of mutual to intrinsic diffusion coefficients (D M /D id ) at aforementioned temperatures. These properties have been then correlated with the modified Butler's model to predict the surface properties, such as surface concentrations of free monomers (X S Tl and X S Na ) and surface tension (σ) of the alloy at above mentioned temperatures. Journal of Nepal Physical Society Volume 4, Issue 1, February 2017, Page: 101-110