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The Application of Computational Thermodynamics to the Cathode-Electrolyte in Solid Oxide Fuel Cells

  • Shadi Darvish
  • Mohammad Asadikiya
  • Mei Yang
  • Yu Zhong
Chapter

Abstract

The fundamentals of solid oxide fuel cell (SOFC) and computational thermodynamics, using the CALPHAD (CALculation of PHAse Diagrams) approach, are reviewed in this chapter. The thermodynamic database development for perovskites and fluorites is especially discussed. In addition, the application of computational thermodynamics to the cathode and electrolyte of SOFC is also discussed in detail including the defect chemistry and quantitative Brouwer diagrams, electronic and ionic conductivity, cathode-electrolyte triple phase boundary (TPB) stability, thermomechanical properties of perovskite cathode, the effect of gas impurities like CO2 to the phase stability of cathode, and phase diagram development for nano (n-)yttria-stabilized zirconia (YSZ) particles.

Keywords

Solid oxide fuel cell (SOFC) CALPHAD modeling Computational thermodynamics Cathode Electrolyte Long-term degradation Phase stability 

Notes

Acknowledgments

This work is partially supported by the start-up funding from Florida International University for Dr. Yu Zhong and also the grant from the American Chemical Society Petroleum Research Fund (PRF#54190-DNI10). The Doctoral Evidence Acquisition (DEA) Fellowship from the graduate school of Florida International University is also appreciated for the financial support for Ms. Shadi Darvish and Mr. Mohammad Asadikiya. The authors also gratefully acknowledge the helpful comments and suggestions of the reviewers, which have improved the presentation.

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Copyright information

© Springer-Verlag GmbH Germany, part of Springer Nature 2018

Authors and Affiliations

  • Shadi Darvish
    • 1
    • 2
  • Mohammad Asadikiya
    • 1
    • 2
  • Mei Yang
    • 3
  • Yu Zhong
    • 1
    • 2
    • 4
  1. 1.Department of Mechanical and Materials EngineeringFlorida International UniversityMiamiUSA
  2. 2.Center for the Study of Matter at Extreme Conditions (CeSMEC)Florida International UniversityMiamiUSA
  3. 3.H.C. Starck Inc.NewtonUSA
  4. 4.Mechanical Engineering DepartmentWorcester Polytechnic InstituteWorcesterUSA

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