Prediction of thermodynamic and surface properties of Pb−Hg liquid alloys at different temperatures

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

“…The temperature derivative terms of the interaction energy parameters ( , and ) required to compute and predict the thermodynamic properties of the alloy at higher temperatures are taken from Yadav et al (2015). The thermodynamic properties of the concerned system have been predicted at higher temperatures under the constraint that the mole fractions (complex as well as free monomers) and the temperature derivative terms of interaction energies remain constant for small rise in temperature of the liquid alloy above its melting temperature which is 673 K (Yadav et al, 2016). To compute and predict the thermodynamic properties of binary liquid alloys at higher temperatures, the knowledge of interaction energies at such temperatures is outmost essential.…”

“…These difficulties have been to some extent resolved by theoretician by developing different modeling equations (Flory, 1942;Jordan, 1970;Bhatia & Hargrove, 1974;Lele & Ramchandrarao, 1981;Ruppersberg & Reiter, 1982;Hoshino, 1983;Young, 1992;Singh & Sommer, 1992;Budai, Benko & Kaptay, 2005;Kaptay, 2008Kaptay, , 2015Adhikari, Singh & Jha, 2010;Adhikari, 2011;Yadav, Jha & Adhikari, 2014) to study the mixing behaviours of the liquid alloys at the melting temperatures and interpolating/extrapolating these results at different elevated temperatures. In the light of such fundamental importance, we have extended regular associated solution model (Jordan, 1970;Lele & Ramchandrarao, 1981;Adhikar, Singh & Jha, 2010;Adhikari, 2011;Yadav, Jha & Adhikari, 2014) and employed it to predict the thermodynamic, structural and surface properties of the liquid Tl−Na alloys at higher temperatures (Yadav et al, 2016). According to regular associated solution model, when atoms A (=Tl) and B (=Na) are mixed at a temperature near to their melting point, there is favourable associations of the types AA, BB and AB.…”

“…In this work, we intend to predict the thermodynamic and structural properties of Tl−Na liquid alloys at higher temperatures 673 K, 773 K, 873 K and 973 K by assuming the complex at 673 K (Yadav, Jha & Adhikari, 2015) on the basis of extended regular associated solution model. The thermodynamic properties have been then correlated with the modified Butler model (Kaptay, 2008(Kaptay, , 2015Yadav et al, 2016) to predict the surface properties of the concerned system at different temperatures. The theory containing the different thermodynamic functions is presented in the Section 2, results and discussion is highlighted in the Section 3 and the conclusions are outlined in the Section 4.…”

Modeling equations to predict the mixing behaviours of Al−Fe liquid alloy at different temperatures

“…The details about the model can be found from references 5, 7 and 9 (also see ref. 15). The model parameters of most of the theoretical models are just fitting parameters to establish the equivalence between the computed and observed thermodynamic properties.…”

Theoretical investigations on temperature dependence of thermodynamic properties and concentration fluctuations of In-Tl binary liquid alloys by optimization method

“…(say), are determined by least-square method [23]. The heat capacity at a temperature (T) can be expressed as (19). The least-square method has been used to obtain the unknown parameters involved in equation (20).…”