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Multi-scale Theoretical Study of Sintering Dynamics of Pt for Automotive Catalyst
- Ai Suzuki - Tohoku University ,
- Ryo Sato - Tohoku University ,
- Katsuyoshi Nakamura - Tohoku University ,
- Kotaro Okushi - Tohoku University ,
- Hideyuki Tsuboi - Tohoku University ,
- Nozomu Hatakeyama - Tohoku University ,
- Akira Endou - Tohoku University ,
- Hiromitsu Takaba - Tohoku University ,
- Momoji Kubo - Tohoku University ,
- Mark C. Williams - Tohoku University ,
- Akira Miyamoto - Tohoku University
Journal Article
2009-01-2821
ISSN: 1946-3952, e-ISSN: 1946-3960
Sector:
Topic:
Citation:
Suzuki, A., Sato, R., Nakamura, K., Okushi, K. et al., "Multi-scale Theoretical Study of Sintering Dynamics of Pt for Automotive Catalyst," SAE Int. J. Fuels Lubr. 2(2):337-345, 2010, https://doi.org/10.4271/2009-01-2821.
Language:
English
Abstract:
The capability of theoretical durability studies to offer an efficient alternative methodology for predicting the potential performance of catalysts has improved in recent years. In this regard, multi-scale theoretical methods for predicting sintering behavior of Pt on various catalyst supports are being developed. Various types of Pt diffusions depending on support were confirmed by the micro-scale ultra accelerated quantum chemical molecular dynamics (UA-QCMD) method. Moreover, macro-scale sintering behavior of Pt/ɣ-Al2O3, Pt/ZrO2 and Pt/CeO2 catalyst were studied using a developed 3D sintering simulator. Experimental results were well reproduced. While Pt on ɣ-Al2O3 sintered significantly, Pt on ZrO2 sintered slightly and Pt on CeO2 demonstrated the highest stability against sintering.