Understanding Mechanism of Adsorption-Induced Structure Transition of Metal Organic Frameworks and its Application for Design of New Soft Nanospaces
Project/Area Number |
21360379
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Research Category |
Grant-in-Aid for Scientific Research (B)
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Allocation Type | Single-year Grants |
Section | 一般 |
Research Field |
Properties in chemical engineering process/Transfer operation/Unit operation
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Research Institution | Kyoto University |
Principal Investigator |
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Co-Investigator(Kenkyū-buntansha) |
TANAKA Hideki 京都大学, 工学研究科, 講師 (80376368)
渡邉 哲 京都大学, 工学研究科, 助教 (80402957)
|
Project Period (FY) |
2009 – 2011
|
Project Status |
Completed (Fiscal Year 2011)
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Budget Amount *help |
¥18,200,000 (Direct Cost: ¥14,000,000、Indirect Cost: ¥4,200,000)
Fiscal Year 2011: ¥1,560,000 (Direct Cost: ¥1,200,000、Indirect Cost: ¥360,000)
Fiscal Year 2010: ¥2,600,000 (Direct Cost: ¥2,000,000、Indirect Cost: ¥600,000)
Fiscal Year 2009: ¥14,040,000 (Direct Cost: ¥10,800,000、Indirect Cost: ¥3,240,000)
|
Keywords | 吸着 / 第三世代柔軟多孔性配位錯体 / 分子シミュレーション / 自由エネルギー解析 / 第3世代柔軟多孔性配位錯体 |
Research Abstract |
The Metal-Organic Frameworks(MOF) of the third generation are known to exhibit a steep rise in adsorption isotherm driven by adsorption-induced structure transition, which provides potential applications for gas storage and separation. We succeeded in understanding the mechanism of the adsorption-induced structure transition for the jungle-gym-like and stacked layer MOFs by the free-energy analysis coupled with the molecular simulations.
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Report
(4 results)
Research Products
(50 results)
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[Presentation] A Thermodynamic Model for Adsorption-Induced Structural Transition of Flexible Porous Coordination Polymer2010
Author(s)
H.Sugiyama, A.Yamamoto, H.Tanaka, S.Watanabe, T.Fukushima, Y.Hijikata, S.Horike, Y.Kubota, S.Kitagawa , M.Miyahara
Organizer
International Conference on Nanoscopic Colloid and Surface Science (NCSS 2010)
Place of Presentation
Chiba, Japan
Year and Date
2010-09-21
Related Report
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[Presentation] Prediction of Adsorption-Induced Structural Transition of a Flexible Porous Coordination Polymer2010
Author(s)
H.Sugiyama, A.Yamamoto, H.Tanaka, S.Watanabe, T.Fukushima, Y.Hijikata, S.Horike, Y.Kubota, S.Kitagawa , M.Miyahara
Organizer
2nd International Conference on Metal-Organic Frameworks and Open Framework Compounds (MOF2010)
Place of Presentation
Marseille, France
Year and Date
2010-09-07
Related Report
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