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.
Multi-scale Theoretical Study of Sintering Dynamics of Pt for Automotive Catalyst
Sae Int. J. Fuels Lubr
Sae International Journal of Fuels and Lubricants
SAE 2009 Powertrains Fuels and Lubricants Meeting ; 2009
Sae International Journal of Fuels and Lubricants ; 2 , 2 ; 337-345
2009-11-02
9 pages
Aufsatz (Konferenz)
Englisch
Muli-scale theoretical study of sintering dynamics of Pt for automotive catalyst
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