Thermodynamic modelling of the system titanium-oxygen

The complete titanium-oxygen system from metallic titanium to gaseous oxygen including Magneli phases was critically assessed between 298 K and liquidus 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 - were applied to model the Gibbs energies of totally eighteen phases. Of these, twelve were treated as line compounds. Gibbs energies as a function of temperature 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.