2012 Fiscal Year Final Research Report
Kinetic modeling of reaction mechanism on inhomogeneous surface at high temperature based on the 'super-adsorbate' concept
| Project/Area Number |
22760589
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| Research Category |
Grant-in-Aid for Young Scientists (B)
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| Allocation Type | Single-year Grants |
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| Research Field |
Reaction engineering/Process system
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| Research Institution | Kyushu University |
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Principal Investigator |
OGURA Teppei 九州大学, 水素エネルギー国際研究センター, 准教授 (90552000)
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| Project Period (FY) |
2010 – 2012
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| Keywords | 反応機構 / 不均一表面 / 量子化学計算 / 水素製造 |
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| Research Abstract |
We have developed a new kinetic modeling method of reaction mechanism on inhomogeneous surface at high temperature based on an original 'super-adsorbate' concept. To achieve the development, we have 1) developed adsorption modeling technique including local surface morphology, 2) used highly-accurate statistic thermodynamics with frequency analyses, and 3) verified the developed method by applying to catalytic hydrogen production. Using the hydrogen production mechanism constructed with our modeling method, we also discussed carbon deposition mechanism on nickel catalysts at industrial operating condition.
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