2009 Fiscal Year Final Research Report
Development of aging simulator of automotive catalysts
| Project/Area Number |
20860006
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| Research Category |
Grant-in-Aid for Young Scientists (Start-up)
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| Allocation Type | Single-year Grants |
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| Research Field |
Materials/Mechanics of materials
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| Research Institution | Tohoku University |
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Principal Investigator |
SUZUKI Ai Tohoku University, 未来科学技術共同研究センター, 助教 (40463781)
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| Project Period (FY) |
2008 – 2009
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| Keywords | シンタリング / 粒成長 / 貴金属担持触媒 / 酸化物担体 / 経時劣化 / 自動車触媒 / 3次元キネティックモンテカルロ法 |
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| Research Abstract |
The factors, "time" and "temperature" are essential to consider to study thermal durability of catalysts. However, conventional methodologies, such as Static Monte Carlo method, which cannot perform real-time scale calculations. Moreover, Molecular dynamics method can consider temperature, but time scales are too short to trace aging phenomenon since a real-time scale is needed in actual durability tests. Moreover, first-principle quantum chemical calculation method cannot be applied to the large atomic scale models, or to thermal dynamics due to its heavy computational load, and then this method compel us to conduct calculations using models composed of too few atoms, and it is far from realistic catalyst. Based on above mentioned background, in this study, we try to develop aging simulator of automotive catalysts based on Kinetic Monte Carlo method, and successfully simulated thermal durability of automotive catalysts.
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[Journal Article] Multi-scale theoretical study of support effect on sintering dynamics of Pt2009
Author(s)
Ai Suzuki, Katsuyoshi Nakamura, Ryo Sato, Kotaro Okushi, Hideyuki Tsuboi, Nozomu Hatakeyama, Akira Endou, Hiromitsu Takaba, Momoji Kubo, Mark C. Williams, Akira Miyamoto
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Journal Title
Surface Science 603
Pages: 3049-3056
Peer Reviewed
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[Journal Article] Multi-scale Theoretical Study of Sintering Dynamics of Pt for Automotive Catalyst2009
Author(s)
Ai Suzuki, Katsuyoshi Nakamura, Ryo Sato, Kotaro Okushi, Hideyuki Tsuboi, Nozomu Hatakeyama, Akira Endou, Hiromitsu Takaba, Momoji Kubo, Mark C. Williams, Akira Miyamoto
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Journal Title
SAE paper 2009-01-2821
Pages: 1-9
Peer Reviewed
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[Presentation] Multi-scale theoretical study of sintering dynamics of Pt for automotive catalyst2009
Author(s)
Ai Suzuki, Katsuyoshi Nakamura, Ryo Sato, Kotaro Okushi, Hideyuki Tsuboi, Nozomu Hatakeyama, Akira Endou, Hiromitsu Takaba, Momoji Kubo, Akira Miyamoto
Organizer
SAE (Society of Automotive Engineers)
Place of Presentation
San Antonio, Texas, U.S.A.
Year and Date
2009-11-03
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[Presentation] Applications of Multi Scale Simulation based on Ultra Accelerated Quantum Chemical Molecular Dynamics and Sintering Dynamics of Catalysts2009
Author(s)
Ai Suzuki, Katsuyoshi Nakamura, Ryo Sato, Kotaro Okushi, Hideyuki Tsuboi, Nozomu Hatakeyama, Akira Endou, Hiromitsu Takaba, Momoji Kubo, Akira Miyamoto
Organizer
International Symposium on Catalyst Deactivation
Place of Presentation
Delft, the Netherlands
Year and Date
2009-10-25
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[Presentation] Universite Libre de Bruxelles, Development and application of sintering dynamics simulation for automotive catalyst2009
Author(s)
Ai Suzuki, Katsuyoshi Nakamura, Ryo Sato, Kotaro Okushi, Hideyuki Tsuboi, Nozomu Hatakeyama, Akira Endou, Hiromitsu Takaba, Momoji Kubo, Akira Miyamoto
Organizer
8^<th> International Congress on Catalysis and Automotive Pollution Control (CAPoC8), Development and application of sintering dynamics simulation for automotive catalyst
Year and Date
2009-04-16
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[Presentation] Development and application of three-dimensional simulator for sintering and grain growth2009
Author(s)
Ai Suzuki, Katsuyoshi Nakamura, Ryo Sato, Kotaro Okushi, Hideyuki Tsuboi, Nozomu Hatakeyama, Akira Endou, Hiromitsu Takaba, Momoji Kubo, Akira Miyamoto
Organizer
237th ACS (The American Chemical Society) National Meeting & Exposition
Place of Presentation
Salt Palace Convention Center, Sault Lake City, Utah, U.S.A.
Year and Date
2009-03-25
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