Thermodynamic assessment of the La-Fe-O system
Publication: Research - peer-review › Journal article – Annual report year: 2009
The La-Fe and the La-Fe-O systems are assessed using the Calphad approach, and the Gibbs energy functions of ternary oxides are presented. Oxygen and mutual La and Fe solubilities in body-centered cubic (bcc) and face-centered cubic (fcc) structured metallic phases are considered in the modeling. Oxygen nonstoichiometry of perovskite-structured La1±x Fe1±y O3−δ is modeled using the compound energy formalism (CEF), and the model is submitted to a defect chemistry analysis. The contribution to the Gibbs energy of LaFeO3 due to a magnetic order-disorder transition is included in the model description. Lanthanum-doped hexaferrite, LaFe12O19, is modeled as a stoichiometric phase. Δf,elements°H 298 K (LaFe12O19) = −5745 kJ/mol, °S 298 K (LaFe12O19) = 683 J/mol · K, and Δf,oxides°G (LaFe12O19) = 4634 − 37.071T (J/mol) from 1073 to 1723 K are calculated. The liquid phase is modeled using the two-sublattice model for ionic liquids. The calculated La-Fe phase diagram, LaO1.5-FeO x phase diagrams at different oxygen partial pressures, and phase equilibria of the La-Fe-O system at 873, 1073, and 1273 K as a function of oxygen partial pressures are presented.
| Original language | English |
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| Journal | Journal of Phase Equilibria and Diffusion |
| Publication date | 2009 |
| Volume | 30 |
| Journal number | 4 |
| Pages | 351-366 |
| ISSN | 1547-7037 |
| DOIs | |
| State | Published |
| Citations | Web of Science® Times Cited: 1 |
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Keywords
- Solid Oxide Fuel Cells, Fuel Cells and hydrogen
ID: 3470417