Optimisation of the thermodynamic properties of the Ti–H and Zr–H systems

A thermodynamic assessment of the Calphad-type of the Ti-H and Zr-H systems was carried out. This implies all the available experimental data being used together in optimizing the parameters of the various solution models for the different phases involved to create a self-consistent data set. In this work, phase diagram data, partial molar enthalpies and hydrogen isotherms were used to simultaneously adjust parameters for standard Gibbs energies and excess Gibbs functions described by the compound energy formalism. All experimental input data, as well as derived partial molar entropies of hydrogen, which were not used in the optimization, are very well reproduced by the parameters obtained