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Thermodynamic and Structural Properties of CuCrO 2 and CuCr 2 O 4 : Experimental Investigation and Phase Equilibria Modeling of the Cu–Cr–O System

Abstract : This work considers the equilibria between the stable phases of the Cr-Cu-O ternary chemical system, at atmospheric pressure and in a large temperature range that includes the high-temperature liquid phase. Based on a thorough evaluation of literature data, we performed complementary experimental investigations of solid phase properties (especially the mixed oxides), by implementation of spark plasma sintering and microanalysis, high-temperature X-ray diffraction combined with Rietveld analysis, differential thermal analysis and thermogravimetry. We show that neither the spinel CuCr2O4 nor the delafossite CuCrO2 phases exhibit significant cationic non-stoichiometry. We provide an assessment of the thermodynamic functions of the spinel up to 1200 K, taking into account the  phase transition. We propose, for the first time, a consistent thermodynamic description of the Cr-Cu-O system based on the Calphad method, allowing the computation of reactions and phase equilibria, including the high-temperature liquid phase described by the Modified Quasichemical Model.
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https://hal-cnrs.archives-ouvertes.fr/hal-03787585
Contributor : Laurent Cassayre Connect in order to contact the contributor
Submitted on : Sunday, September 25, 2022 - 6:59:48 PM
Last modification on : Wednesday, October 5, 2022 - 4:14:09 PM

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J. Schorne-Pinto, P. Chartrand, A. Barnabé, Laurent Cassayre. Thermodynamic and Structural Properties of CuCrO 2 and CuCr 2 O 4 : Experimental Investigation and Phase Equilibria Modeling of the Cu–Cr–O System. Journal of Physical Chemistry C, 2021, 125 (27), pp.15069-15084. ⟨10.1021/acs.jpcc.1c04179⟩. ⟨hal-03787585⟩

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