Thermodynamic Modeling of Sulfur containing Liquid and Solid Phases in the System Cu-Cr-Co-Ni-Fe-Pb-Zn-S

The basis of thermodynamic calculations for scientific and industrial applications is the knowledge of a thermodynamic potential of the system of interest as a function of temperature, pressure and composition. Thermodynamic calculations for even relatively simple systems require a lot of numerical work. Consequently, thermodynamic software packages are necessary to perform calculations in acceptable times by sufficient precision. However, the calculations depend upon evaluated databases for the multicomponent solutions of interest. Such databases are prepared by the following procedure. First, an appropriate structural model of the solution is developed. Next, all available experimental data for sub-systems are critically optimized to find model parameters. Third, the model is used to calculate the properties of the multicomponent solution from the parameters in the database. The aim of the project is the thermodynamic modeling of sulfur containing phases of the system Cu-Cr-Co-Ni-Fe- Pb-Zn-S by taking into account recent model and software developments. This database development will contribute to serve as a resource for chemical thermodynamic and phase equilibrium calculations including process simulation for metallurgy as well as materials science. It will provide a tool for better control of process varaibles also with regard to economical and environmental factors.