A continuum model for yttria-stabilised zirconia incorporating triple phase boundary, lattice structure and immobile oxide ions
Authors
- Vágner, Petr
ORCID: 0000-0001-5952-0025 - Guhlke, Clemens
- Miloš, Vojtěch
- Müller, Rüdiger
ORCID: 0000-0003-2643-722X - Fuhrmann, Jürgen
ORCID: 0000-0003-4432-2434
2010 Mathematics Subject Classification
- 65N08 78A57 80A17
Keywords
- solid oxide, double layer, interface, thermodynamics, finite volume method
DOI
Abstract
A continuum model for yttria-stabilised 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.
Appeared in
- J. Solid State Electrochem., 23 (2019), pp. 2907--2926.
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