Comparison of methods for thermodynamic calculation of phase diagrams

Abstract

The general features of the organization of the computational aspects of equilibrium diagrams are reviewed. The equations which are used to calculate the thermodynamic properties of mixing of the multicomponent phases are described. The different methods used to calculate binary and ternary systems are discussed as well as the numerical methods. Some applications to different types of solidification processes are presented together with the corresponding flow charts. A compilation of the computed phase diagrams indicating the type of model that has been applied is provided.