A heuristic method to uncover a possible unsoundness of a physical–chemical model

To ensure that a procedure tailored for thermodynamic optimization returns statistically optimal numerical values of the model’s parameters, the appropriateness of the model used to describe the Gibbs energy of the phase must be meticulously considered. In analyzing the suitability, one usually starts with the crystal structure of the phase and data on its homogeneity range. In addition to this minimum requirement, one tries to make good use of …