The most difficult issue has lied on the meso-scale modeling, which typically is based on microkinetic modeling [5-8]. To guarantee the predictivity of the modeling, it is inevitable to realize the simulation without arbitrary fitting parameters that are not necessarily based on realistic physics. For this purpose, we first exhaustively summarized literature data followed by the careful examinations. Next, we have made exhaustive simulations assuming different combinations of parameters in literature.
Finally, we obtained a set of parameters that matches with experimental observations within reasonable differences.
The details together with the results of top-down and bottom up simulations will be introduced together with future perspectives.
Acknowledgements
The activities of INAMORI Frontier Research Center is supported by Kyocera Co. Ltd. The activities of Advanced Automotive Research Collaborative Laboratory in Hiroshima University are supported by Mazda Corporation. The part of the research is supported by CREST, Japan Science and Technology Agency.
References
[1] J. Mizusaki, H. Tagawa, T. Saito, T. Yamamura, K. Kamitani, K. Hirano, S. Ehara, T. Takagi, T. Hikita, M. Ippommatsu, S. Nakagawa, K. Hashimoto, Solid State Ionics, 70/71, 52 (1994)
[2] W. Yao and E. Croiset, Can. J. Chem. Eng., 93, 2157 (2015)
[3] A. Bieberle, L. P. Meier, L. J. Gauckler, J. Electrochem. Soc., 148, A646 (2001)
[4] A. Utz, H. Störmer, A. Leonide, A. Weber, E. Ivers-Tiffée, J. Electrochem. Soc., 157 B920 (2010)
[5] W. G. Bessler, S. Gewies, M. Vogler, Electrochim. Acta, 53, 1782 (2007)
[6] W. G. Bessler, Solid State Ionics, 176, 997 (2005)
[7] M. Vogler, A. Bieberle-Hütter, L. Gauckler, J. Warnatz, and W. G. Bessler, J.
Electrochem. Soc., 156, B663 (2009)
[8] H. Kohno, S. Liu, T. Ogura, T. Ishimoto, D. S. Monder, K. Karan, M. Koyama, ECS Trans., 57(1), 2821 (2013)