Thermodynamic study of the sodium chromite NaCrO2

  • Sylvie Chatain
  • , Nicolas David
  • , David Bonina
  • , Jean Louis Flèche
  • , Christophe Bonnet
  • , Jean Louis Courouau
  • , Marion Rouhard

Research output: Contribution to journalArticlepeer-review

Abstract

A thermodynamic study was undertaken on two kinds of NaCrO2(s) powder, a commercial and an experimental one synthetized. Heat capacity measurements were carried out in the temperature range of 25–600 °C using a differential scanning calorimeter. Gibbs energy of formation versus temperature was deduced using these experimental data, the enthalpy of formation from literature and the entropy at room temperature deduced from ab initio calculations combining with a quasi-harmonic statistical model. The equation obtained is given by: ΔfG°(T) (NaCrO2) (kJ/mol O2)=−876.094+0.191xT (±2%). The temperature of phase transition measured by differential thermal analysis at (819 ± 4) °C is slightly higher than the temperature in the literature attributed to the decomposition of NaCrO2 into Cr2O3 and Na2O. However, the X-ray diffraction patterns showed only NaCrO2 phase which didn't confirm the decomposition reaction.

Original languageEnglish
Article number160784
JournalJournal of Alloys and Compounds
Volume882
DOIs
Publication statusPublished - 15 Nov 2021
Externally publishedYes

Keywords

  • Ab initio calculations
  • Differential scanning calorimetry
  • Differential thermal analysis
  • Quasi-harmonic model
  • Sodium chromite

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