On the Interactive Use of the Method of Constrained Equilibria in FactSage

The method of constrained equilibria has already found extensive use for a good number of years in conjunction with the programmers library ChemApp and freely adaptable ASCII based thermodynamic datafiles. In the present paper a method is demonstrated which permits the application of this method in the framework of the Integrated Thermodynamic Databank System (ITDS) FactSage. Both, modules which interact with the databases and modules which carry out thermodynamic calculations are used, thus emphasizing the aspect of integration in the ITDS. In the paper a link will be established between original thoughts by J.W. Gibbs concerning the definition of the components of a system and kinetic inhibitions in the system and the method of constrained equilibria as such. Furthermore, reference is made to Mats Hillerts use of driving forces in complex (non-)equilibrium cases. A number of application cases with different degrees of complexity will be demonstrated. These range from partially or fully constrained complex equilibrium calculations to phase diagrams with new types of axis variables.