Experimental investigation and thermodynamic assessment of the yttrium-hydrogen binary system

Abstract A coupled experimental investigation and thermodynamic study of the yttrium-hydrogen (Y-H) binary system were carried out to provide more comprehensive and quantitative insights into the key thermodynamic properties of this system. Y-H system in the full range of H/Y = 0–3.0 was investigated by accurate pressure composition isotherm (PCI) measurement to provide credible phase equilibria information and thermodynamic data. The phase boundaries obtained were in agreement with previous experimental data but with improved accuracy. With the guide of the crystal structures, all the solid phases were modelled using the three sublattice model. The Y-H phase diagram and thermodynamic parameters were calculated and assessed with the CALPHAD technique. The obtained results are in very good agreement with our experimental data and the published data reported in literature. The obtained thermodynamic database of Y-H system can be used to predict the hydrogenation behavior and decomposition temperatures of hydrides.