Design of open-porous materials for high-temperature fuel cells
Abstract
Microstructure is one of the major factors influencing material properties. It is especially important for open-porous materialsdedicated to catalytic applications, where fraction of pores, their size distribution and specific surface influence the diffusion ofreactants and the kinetics of catalytic reactions. In these studies the numerical models of the microstructure of open-porouselectrodes for molten carbonate fuel cell (MCFC) are presented. The models presented here simulate fabrication routes forreal materials, including mixing of powders, tape casting and sintering processes. The substrate powders are represented byspheres with defined size distribution. Mixing and compaction of powders with polymeric binder is simulated by a granularmodel implemented in LAMMPS code. In the next step the polymeric phase represented by fine particles and larger porogenaddition is removed to form pores. The sintering process is simulated by geometry smoothing, which results in sphereaggregation. The models presented here were compared with micro computed tomography (CT) 3D images of real MCFCmaterials. Quantitative analysis of CT images was performed and it was demonstrated that algorithms used in these studiesmake it possible to design materials with the desired porous microstructure.References
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MCFC for various fuel and oxidant compositions, International Journal
of Hydrogen Energy 39 (22) (2014) 11713–11721.
[2] J. Milewski, Solid oxide electrolysis cell CO–methanation supported by
molten carbonate fuel cell – a concept, Journal of Power Technologies
96 (1) (2016) 8–14.
[3] R. Roshandel, M. Astaneh, F. Golzar, Multi-objective optimization of
molten carbonate fuel cell system for reducing CO2 emission from exhaust
gases, Frontiers in Energy 9 (1) (2015) 106–114.
[4] J. R. Selman, Molten-salt fuel cells – technical and economic challenges,
Journal of Power Sources 160 (2) (2006) 852–857.
[5] E. Antolini, The stability of molten carbonate fuel cell electrodes: a
review of recent improvements, Applied energy 88 (12) (2011) 4274–
4293.
[6] A. Kulkarni, S. Giddey, Materials issues and recent developments in
molten carbonate fuel cells, Journal of Solid State Electrochemistry
16 (10) (2012) 3123–3146.
[7] P. Heidebrecht, K. Sundmacher, Molten carbonate fuel cell (MCFC)
with internal reforming: model-based analysis of cell dynamics, Chemical
Engineering Science 58 (3–6) (2003) 1029 – 1036, 17th International
Symposium of Chemical Reaction Engineering (IS {CRE} 17).
[8] K. Czelej, K. Cwieka, T. Wejrzanowski, P. Spiewak, K. J. Kurzydlowski,
Decomposition of activated CO2 species on Ni(110): Role of surface
diffusion in the reaction mechanism, Catalysis Communications 74
(2016) 65–70.
[9] T.Wejrzanowski, J. Skibinski, J. Szumbarski, K. J. Kurzydlowski, Structure
of foams modeled by Laguerre–Voronoi tessellations, Computational
Materials Science 67 (2013) 216–221.
[10] J. Skibinski, K. Cwieka, T. Kowalkowski, B. Wysocki, T. Wejrzanowski,
K. J. Kurzydlowski, The influence of pore size variation on the pressure
drop in open–cell foams, Materials & Design 87 (2015) 650–655.
[11] C. R. A. Catlow, G. D. Price, Computer modelling of solid–state inorganic
materials, Nature 347 (6290) (1990) 243–248.
[12] C. R. A. Catlow, B. Smit, R. van Santen, Computer modelling of microporous
materials, Academic Press, 2004.
[13] T. Wejrzanowski, W. Spychalski, K. Rozniatowski, K. Kurzydlowski, Image
based analysis of complex microstructures of engineering materials,
International Journal of Applied Mathematics and Computer Science
18 (1) (2008) 33–39.
[14] T. Wejrzanowski, M. Lewandowska, K. J. Kurzydlowski, Stereology of
nano–materials, Image Analysis and Stereology 29 (2010) 1–13.
[15] T. Wejrzanowski, J. Skibinski, L. Madej, K. J. Kurzydlowski, Modeling
structures of cellular materials for application at various length –
scales, Computer Methods in Materials Science 13 (4) (2013) 493–
500.
[16] R. Moreno-Atanasio, R. A. Williams, X. Jia, Combining x–ray microtomography
with computer simulation for analysis of granular and porous
materials, Particuology 8 (2) (2010) 81 – 99.
Published
2016-10-29
How to Cite
WEJRZANOWSKI, Tomasz et al.
Design of open-porous materials for high-temperature fuel cells.
Journal of Power Technologies, [S.l.], v. 96, n. 3, p. 178--182, oct. 2016.
ISSN 2083-4195.
Available at: <https://papers.itc.pw.edu.pl/index.php/JPT/article/view/918>. Date accessed: 16 apr. 2024.
Issue
Section
Materials Science
Keywords
Open-porous materials; MCFC; microstructure; modelling
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