Thermodynamic modelling of the system titanium-oxygen

The complete titanium-oxygen system from metallic titanium to gaseous oxyge n including Magneli phases was critically assessed between 298 K and liquid us temperatures and at a pressure of 1 bar. All available experimental T-x phase diagram and thermodynamic data - all in all about 600 data points - w ere applied to model the Gibbs energies of totally eighteen phases. Of thes e, twelve were treated as line compounds. Gibbs energies as a function of t emperature and composition using sublattice models were optimized for five condensed mixture phases. The ideal approach was accepted for the gas phase . The calculations were carried out using ChemSage.