| Project/Area Number |
26620060
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| Research Category |
Grant-in-Aid for Challenging Exploratory Research
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| Allocation Type | Multi-year Fund |
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| Research Field |
Functional solid state chemistry
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| Research Institution | Kyoto University |
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Principal Investigator |
Tanaka Hideki 京都大学, 工学研究科, 講師 (80376368)
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| Project Period (FY) |
2014-04-01 – 2016-03-31
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| Project Status |
Completed (Fiscal Year 2015)
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| Budget Amount *help |
¥3,900,000 (Direct Cost: ¥3,000,000、Indirect Cost: ¥900,000)
Fiscal Year 2015: ¥650,000 (Direct Cost: ¥500,000、Indirect Cost: ¥150,000)
Fiscal Year 2014: ¥3,250,000 (Direct Cost: ¥2,500,000、Indirect Cost: ¥750,000)
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| Keywords | ゼオライト鋳型炭素 / 水素貯蔵 / 分子シミュレーション |
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| Outline of Final Research Achievements |
In silico synthesis of zeolite templated carbons (ZTCs) was performed by molecular dyanimics method, and seventeen ZTCs with a 3D carbon network were obtained from a large variety of zeolites. It was found by grand canonical Monte Carlo simulations that the hydrogen capacities of the ZTCs from FAU and BEA zeolites at 77 K (adsorption pressure: 100 bar, desorption pressure 1 bar) reach 2/3 of the liquid hydrogen density (1 bar, 20 K), which suggests that the ZTCs are promising for hydrogen storage.
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