Fundamental theories and concepts for predicting thermodynamic properties of high temperature ionic and metallic liquid solutions and vapor molecules

Modern concepts and theories have created the ability to predict the thermo dynamic properties of high-temperature liquid solutions (molten salts, meta ls, and slags) and vapors. These advances have made it possible to calculat e thermodynamic properties and total chemistries for many technologically a nd scientifically important systems. Specific theories include (1) a cycle for accurately calculating the solubility products of relatively insoluble salts in reciprocal molten salt systems, (2) the coordination cluster theor y, which allows one to predict the temperature and concentration dependence of the activities of a dilute solute in a multicomponent system, (3) the c onformal ionic-solution theory, which predicts the properties of reciprocal and additive multicomponent molten salt systems, (4) the modified quasi-ch emical theory, which predicts the properties of multicomponent silicate lan d other polymeric) systems, (5) a simple extension of polymer theory, which leads to methods for predicting the sulfide capacities Cas well as capacit ies for PO43-, SO42-, Cl-, Br-, I-, etc.) in molten silicates and other pol ymeric solvents, and (6) a dimensional theory for the prediction of nonelec tronic entropies and free-energy functions of vapor molecules. These accomp lishments have helped to create computer programs which can calculate reali stic total chemistries of complex systems and have provided a method of ext ending the scope of fundamental thermodynamic databases of vapors.