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Thermodynamic modeling of La2O3–SrO–Mn2O3–Cr2O3 for solid oxide fuel cell applications

Published online by Cambridge University Press:  30 May 2012

E. Povoden-Karadeniz ,
M. Chen ,
Toni Ivas ,
A.N. Grundy  and
L.J. Gauckler
E. Povoden-Karadeniz*
Affiliation:
Nonmetallic Inorganic Materials, Department of Materials, Eidgenössische Technische Hochschule (ETH) Zürich, 8093 Zurich, Switzerland
M. Chen
Affiliation:
DTU Energy Conversion, Department of Energy Conversion and Storage, Technical University of Denmark, 4000 Roskilde, Denmark
Toni Ivas
Affiliation:
Nonmetallic Inorganic Materials, Department of Materials, Eidgenössische Technische Hochschule (ETH) Zürich, 8093 Zurich, Switzerland
A.N. Grundy
Affiliation:
Concast AG, 8002 Zurich, Switzerland
L.J. Gauckler
Affiliation:
Nonmetallic Inorganic Materials, Department of Materials, Eidgenössische Technische Hochschule (ETH) Zürich, 8093 Zurich, Switzerland
*
a)Address all correspondence to this author. e-mail: [email protected]
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Abstract

The thermodynamic La–Sr–Mn–Cr–O oxide database is obtained as an extension of thermodynamic descriptions of oxide subsystems using the calculation of phase diagrams approach. Concepts of the thermodynamic modeling of solid oxide phases are discussed. Gibbs energy functions of SrCrO4, Sr2.67Cr2O8, Sr2CrO4, and SrCr2O4 are presented, and thermodynamic model parameters of La–Sr–Mn–Chromite perovskite are given. Experimental solid solubilities and nonstoichiometries in La1−xSrxCrO3−δ and LaMn1−xCrxO3−δ are reproduced by the model. The presented oxide database can be used for applied computational thermodynamics of traditional lanthanum manganite cathode with Cr-impurities. It represents the fundament for extensions to higher orders, aiming on thermodynamic calculations in noble symmetric solid oxide fuel cells.

Keywords

Laoxidephase equilibriadefectsenergy generation
Type
Articles
Information
Journal of Materials Research , Volume 27 , Issue 15: Focus Issue: Advanced Materials for Fuel Cells , 14 August 2012 , pp. 1915 - 1926
Copyright
Copyright © Materials Research Society 2012

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References

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