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

Abstract

<p>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<sub>Tl</sub> and a<sub>Na</sub>) and free energy of mixing (G<sub>M</sub>) 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<sub>CC</sub>(0)), short range order parameter (α<sub>1</sub>) and ratio of mutual to intrinsic diffusion coefficients (D<sub>M</sub>/D<sub>id</sub>) 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<sup>S</sup><sub>Tl</sub> and X<sup>S</sup><sub>Na</sub>) and surface tension (σ) of the alloy at above mentioned temperatures.</p><p><strong>Journal of Nepal Physical Society</strong><em><br /></em>Volume 4, Issue 1, February 2017, Page: 101-110</p>