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Article Dans Une Revue Journal of the European Ceramic Society Année : 2021

Experimental studies and thermodynamic assessment of the Ba-Mo-O system by the CALPHAD method

Résumé

Thermodynamic measurements on BaMoO4, BaMoO$_3$ and BaMo$_3$O$_{10}$ are reported, that served as input for the development of a thermodynamic model of the Ba-Mo-O system using the CALPHAD methodology. The valence states of molybdenum in BaMoO$_4$ and BaMoO$_3$ were confirmed to be VI and IV, respectively, from X-ray Absorption Near Edge Structure Spectroscopy measurements at the Mo K-edge. The heat capacity at low temperatures of these compounds was obtained from thermal-relaxation calorimetry. Phase equilibrium data in the BaMoO$_4$-MoO$_3$ section were also measured, and the transition enthalpy associated with the peritectic decomposition of BaMo$_3$O$_{10}$ was determined using Differential Scanning Calorimetry. The developed thermodynamic model used the compound energy formalism for intermediate compounds, and an ionic two-sublattice model for the liquid phase. The optimized Gibbs energies were assessed with respect to the known thermodynamic and phase equilibrium data. A good agreement is generally obtained, but a number of ill-defined data were also identified.
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hal-03871808 , version 1 (26-03-2024)

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A.L. Smith, M. Rutten, L. Herrmann, E. Epifano, R.J.M. Konings, et al.. Experimental studies and thermodynamic assessment of the Ba-Mo-O system by the CALPHAD method. Journal of the European Ceramic Society, 2021, 41 (6), pp.3664-3686. ⟨10.1016/J.JEURCERAMSOC.2021.01.010⟩. ⟨hal-03871808⟩
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