Author/Authors :
Suzuki، نويسنده , , Ai and Nakamura، نويسنده , , Katsuyoshi and Sato، نويسنده , , Ryo and Okushi، نويسنده , , Kotaro and Tsuboi، نويسنده , , Hideyuki and Hatakeyama، نويسنده , , Nozomu and Endou، نويسنده , , Akira and Takaba، نويسنده , , Hiromitsu and Kubo، نويسنده , , Momoji and Williams، نويسنده , , Mark C. and Miyamoto، نويسنده , , Akira، نويسنده ,
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/γ-Al2O3, Pt/ZrO2 and Pt/CeO2 catalysts were studied using a developed 3D sintering simulator. Experimental results were well reproduced. While Pt on γ-Al2O3 sintered significantly, Pt on ZrO2 sintered slightly and Pt on CeO2 demonstrated the highest stability against sintering.
Keywords :
Sintering , diffusion , PT , ?-Al2O3 , CeO2 , ZrO2
