Full thermal decomposition of metal oxides?

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SUMMARY

The thermal decomposition of iron oxide (Fe3O4) into its base elements primarily occurs at specific temperatures influenced by oxygen partial pressure. Ellingham diagrams are essential tools for understanding the temperature-oxygen partial pressure regimes for metal oxides, including iron oxides. Direct computations, particularly full electronic structure calculations, are necessary for precise determination of decomposition temperatures. Relevant literature includes a paper from Phys. Rev. B that discusses these calculations, which can provide further insights into the thermal decomposition process.

PREREQUISITES
  • Understanding of Ellingham diagrams and their application in thermodynamics.
  • Familiarity with electronic structure calculations in materials science.
  • Knowledge of bond energies and their role in thermal decomposition.
  • Basic principles of thermodynamics, particularly related to temperature and pressure.
NEXT STEPS
  • Research the construction and interpretation of Ellingham diagrams for various metal oxides.
  • Study full electronic structure calculation methods, focusing on software like VASP or Quantum ESPRESSO.
  • Examine the paper from Phys. Rev. B regarding transitions in PO2-PH2O space for further insights.
  • Explore the relationship between temperature, oxygen partial pressure, and metal oxide stability in thermal processes.
USEFUL FOR

Chemical engineers, materials scientists, and researchers focused on metal production and thermal decomposition processes will benefit from this discussion.

hellfire2
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I haven't been able to find much information on the thermal decomposition of metal oxides into their corresponding metals and oxygen. What temperature would Fe3O4 decompose mostly(80%) into its base elements? Additionally, how can this information be determined based upon bond energies/structures for other elements?
For those who are curious, I am looking into methods for producing metals thermally for use where reducers such as carbon are not present in high enough concentrations to be useful.
Thanks!
 
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Check Ellingham diagrams. They provide temperature-oxygen partial pressured regimes for metal oxides. Iron oxides are well-studied. So surely you will find the needed data.

Direct computations, requires full electronic structure calculations coupled with finite temperature effects. I think there was a paper in Phys. Rev. B journal on this calculation for iron oxide. I can try googling it if you are interested.
 
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Whoops misclicked there. Yeah if you could point me in the right direction for those I would appreciate it. I did look at some of the Ellingham diagrams before but was not too sure about the iron oxides because they seem to run off most of the charts. I will further investigate the paper as well.
 
This Ellingham diagram contains all the decompositions of iron oxides starting from Fe2O3 through Fe3O4, FeO, and eventually to Fe.

http://web.mit.edu/2.813/www/readings/Ellingham_diagrams.pdf

The paper I mentioned cared more about the transitions in the PO2-PH2O space with little regard to temperature, but it may still be useful:
https://journals.aps.org/prb/abstract/10.1103/PhysRevB.83.094112

An arxiv version of the paper is here:
https://arxiv.org/pdf/1101.3105.pdfThe key thing is that the decomposition depends on both temperature and oxygen partial pressure. I hope this helps.
 
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Useful nucleus said:
This Ellingham diagram contains all the decompositions of iron oxides starting from Fe2O3 through Fe3O4, FeO, and eventually to Fe.

http://web.mit.edu/2.813/www/readings/Ellingham_diagrams.pdf

The paper I mentioned cared more about the transitions in the PO2-PH2O space with little regard to temperature, but it may still be useful:
https://journals.aps.org/prb/abstract/10.1103/PhysRevB.83.094112

An arxiv version of the paper is here:
https://arxiv.org/pdf/1101.3105.pdfThe key thing is that the decomposition depends on both temperature and oxygen partial pressure. I hope this helps.
Thank you very much for this! This helps a bunch!
 

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