Estimation of complex concentration in a regular associated solution

Abstract

Novel procedures have been developed to estimate the concentration of A _pB-type clusters in liquid alloys with the aid of regular associated solution model utilizing activity coefficients of the components at infinite dilution and activity data at any one other composition. The equilibrium constant for the dissociation of clusters as well as the nature and magnitude of pairwise interaction energies between unassociated atoms and clusters have been evaluated without making any assumptions whatsoever. These enable estimation of thermodynamic properties of the liquid alloys at any other desired composition. The utility of the procedures has been demonstrated with respect to the thermodynamics of association in molten Mg-Sn and In-Sb alloys. The calculated activities, enthalpies and free energies are shown to be in excellent agreement with experimental values.