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- Title
A continuum model for yttria-stabilized zirconia incorporating triple phase boundary, lattice structure and immobile oxide ions.
- Authors
Vágner, Petr; Guhlke, Clemens; Miloš, Vojtěch; Müller, Rüdiger; Fuhrmann, Jürgen
- Abstract
A continuum model for yttria-stabilized zirconia (YSZ) in the framework of non-equilibrium thermodynamics is developed. Particular attention is given to (i) modeling of the YSZ-metal-gas triple phase boundary, (ii) incorporation of the lattice structure and immobile oxide ions within the free energy model and (iii) surface reactions. A finite volume discretization method based on modified Scharfetter-Gummel fluxes is derived in order to perform numerical simulations. The model is used to study the impact of yttria and immobile oxide ions on the structure of the charged boundary layer and the double layer capacitance. Cyclic voltammograms of an air-half cell are simulated to study the effect of parameter variations on surface reactions, adsorption and anion diffusion.
- Subjects
FINITE volume method; ZIRCONIUM oxide; NONEQUILIBRIUM thermodynamics; SURFACE reactions; BOUNDARY layer (Aerodynamics); MATHEMATICAL continuum; ELECTRIC capacity
- Publication
Journal of Solid State Electrochemistry, 2019, Vol 23, Issue 10, p2907
- ISSN
1432-8488
- Publication type
Article
- DOI
10.1007/s10008-019-04356-9