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Assessment of thermodynamic data for CuCrO2 delafossite from calorimetric measurements

Schorne-Pinto, J. ; Janghorban, A. ; Lomello-Tafin, M. ; Pisch, A. ; Mikaelian, G. ; Benigni, P. ; Barnabé, A. ; Cassayre, L.

Thermochimica acta, 2019-10, Vol.680, p.178345, Article 178345 [Periódico revisado por pares]

Elsevier B.V

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  • Título:
    Assessment of thermodynamic data for CuCrO2 delafossite from calorimetric measurements
  • Autor: Schorne-Pinto, J. ; Janghorban, A. ; Lomello-Tafin, M. ; Pisch, A. ; Mikaelian, G. ; Benigni, P. ; Barnabé, A. ; Cassayre, L.
  • Assuntos: Chemical and Process Engineering ; Chemical engineering ; Chemical Sciences ; Cuprous delafossite CuCrO2 thermodynamic properties ; Differential scanning calorimetry ; Drop calorimetry ; Engineering Sciences ; Heat capacity ; Materials
  • É parte de: Thermochimica acta, 2019-10, Vol.680, p.178345, Article 178345
  • Descrição: •DSC and drop calorimetry measurements were performed on delafossite CuCrO2 samples.•With additional literature data, Cp functions were derived between 40 & 1300 K.•S°298 and ΔfH°298 were assessed using a third law analysis and emf literature data.•Our DFT calculation at 0 K provides a consistent evaluation of formation enthalpy.•We propose, for the first time, a set of thermodynamic data for the compound CuCrO2. A detailed investigation of the thermodynamic properties of delafossite CuCrO2 was carried out by experimental methods on synthetic CuCrO2 delafossite samples (differential scanning calorimetry from ambient to 871 K and drop calorimetry from 823 to 1123 K) and theoretical methods (density functional theory). Based on these data and available literature (low temperature heat capacity measurements and calculations, high temperature emf data), we propose, for the first time, a full set of thermodynamic data for the phase CuCrO2. Our selection comes to: ΔfH°298(CuCrO2) = −670.8 ± 1.3 kJ mol−1, S°298(CuCrO2) = 88.9 J K−1, and cp°(T)=1.02564.102-2.87159.107 T-3-1.28542.105 T-1.5 (298 < T < 1300 K).
  • Editor: Elsevier B.V
  • Idioma: Inglês
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  • Realização: ABCD-USP USP   Logos de Redes Sociais: Freepik

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