Papers by Keyword: Interaction Parameters

Abstract: The study explores the thermo-physical properties of complex binary liquid potassium-lead alloy at temperature 848 K as a function of concentration by considering complex using different model equations. The Quasi Chemical approximation and the R-K equation are used to investigate features such as free energy, heat of mixing, chemical activity, and concentration fluctuation in the long wave limit at temperature of 848 K. However, at 900 K and 1000 K, these are exclusively examined using the R-K equation. The temperature dependent exponential interaction parameters proposed by Kaptay are taken into account in the RK equation. The study goes on to look at the alloy's viscosity and surface tension using the Budai-Benko-Kaptay model and the Kaptay's improved derivation of Butler equation. The mixing nature of the system is investigated in depth, with a focus on the interaction energy parameters between the alloy's surrounding atoms. The work investigates the fact that the liquid alloy has a moderately interacting as well as ordering character throughout a whole concentration range, and the computed theoretical thermodynamic facts are in reasonable agreement with the corresponding experimental data at 848 K. At greater temperatures, the alloy's tendency goes from ordering to segregating. The alloy's viscosity and surface tension decrease as the temperature rises.

Abstract: The article demonstrates the applicability of the interaction parameter method for describing the thermodynamic properties of non-stoichiometric niobium nitrides at temperatures of 1773 ± 2023 K. The authors obtained the equation of dependence of the nitride dissociation elasticity on its composition and temperature. They derived the expression for calculating Gibbs energy of formation of nitrides with a set composition, including stoichiometric, in the range of 1773 - 2023 K.

Abstract: A computational method has been proposed for calculating the correct interaction parameters from experimental phase diagrams, despite reports that this problem was believed to be a "thermodynamically incorrect” one. It has been shown that the presumed difficulties are not of fundamental importance. An original computer program has been applied to two well-known systems Bi – Sb (1) and Bi2Te3 – Sb2Te3 (2), and a good agreement between calculated and observed values has been achieved. The values of interaction parameters
s= 7.1 ± 0.4,
l= 1.56 ± 0.09 kJ mol-1 for (1) and
s = 5.9 ± 2.5,
l = 3.9 ± 2.5 kJ mol-1 for (2) have been found. The results have been analyzed and their statistical reliability has been established. In addition, the possibilities of calculating the liquidus curve from only the solidus experimental data the solidus from the liquidus experimental data have been demonstrated. It has been found that the prediction of liquidus from solidus is much more successful than predicting the solidus from the liquidus. The results allow one to determine with reliance that the backward problem of modeling regular solutions for finding thermodynamic interaction parameters can be solved correctly. The calculated parameters can be used for both the computational restoration of missing pieces of the experimental phase equilibrium diagrams of binary and multinary systems and for the recognition of the physical nature of regular solutions.