2012 Fiscal Year Final Research Report
Development of Large-scale Molecular Dynamics Simulation Method for Clarifying the Molecular Flow in Nano-pore Coupled with Surface Chemical Reaction
| Project/Area Number |
21686018
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| Research Category |
Grant-in-Aid for Young Scientists (A)
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| Allocation Type | Single-year Grants |
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| Research Field |
Fluid engineering
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| Research Institution | Kyushu University |
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Principal Investigator |
KOYAMA Michihisa 九州大学, 稲盛フロンティア研究センター, 教授 (60372306)
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| Co-Investigator(Renkei-kenkyūsha) |
ISHIMOTO Takayoshi 九州大学, 稲盛フロンティア研究センター, 特任助教 (50543435)
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) |
2009 – 2012
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| Keywords | 分子動力学 / 多孔質 / 細孔内輸送 / 表面反応 / 連成現象 / 反応流動 / 計算化学 / 固体酸化物形燃料電池 |
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| Research Abstract |
Understanding the coupled phenomena of molecular flow and surface chemical reaction in functional porous materials are important. The purpose of this project is to develop a method to deal with such coupled phenomena and clarify the fundamental aspects of the phenomena. By using the method, it was clarified that the coupling with thermal energy transfer between cold molecules, of which kinetic energy is smaller than the reaction threshold, and the surface of porous materials is important to understand the molecular flow with reaction in porous materials.
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Research Products
(8 results)
