Multi-scale Theoretical Study of Sintering Dynamics of Pt for Automotive Catalyst
Date Published: 2009-11-02
Paper Number:2009-01-2821
DOI: 10.4271/2009-01-2821
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, doi:10.4271/2009-01-2821.
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-Al
2
O
3
, Pt/ZrO
2
and Pt/CeO
2
catalyst were studied using a developed 3D sintering simulator. Experimental results were well reproduced. While Pt on ɣ-Al
2
O
3
sintered significantly, Pt on ZrO
2
sintered slightly and Pt on CeO
2
demonstrated the highest stability against sintering.
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