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Understanding Mechanism of Adsorption-Induced Structure Transition of Metal Organic Frameworks and its Application for Design of New Soft Nanospaces

Research Project

Project/Area Number 21360379
Research Category

Grant-in-Aid for Scientific Research (B)

Allocation TypeSingle-year Grants
Section一般
Research Field Properties in chemical engineering process/Transfer operation/Unit operation
Research InstitutionKyoto University

Principal Investigator

MIYAHARA Minoru  京都大学, 工学研究科, 教授 (60200200)

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)
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.

Report

(4 results)
  • 2011 Annual Research Report   Final Research Report ( PDF )
  • 2010 Annual Research Report
  • 2009 Annual Research Report
  • Research Products

    (50 results)

All 2012 2011 2010 2009 Other

All Journal Article (4 results) (of which Peer Reviewed: 3 results) Presentation (42 results) Remarks (4 results)

  • [Journal Article] Adsorption-Induced Structural Transition of an Interpenet of Free-Energy Profiles2012

    • Author(s)
      H. Sugiyama, S. Watanabe, H. Tanaka, and M. T. Miyahara
    • Journal Title

      Langmuir

      Volume: 28 Pages: 5093-5100

    • Related Report
      2011 Final Research Report
    • Peer Reviewed
  • [Journal Article] Adsorption-Induced Structural Transition of an Interpenetrated Porous Coordination Polymer : Detailed Exploration of Free-Energy Profiles2012

    • Author(s)
      Hayato Sugiyama, Satoshi Watanabe, Hideki Tanaka, Minoru T.Miyahara
    • Journal Title

      Langmuir

      Volume: 28 Issue: 11 Pages: 5093-5100

    • DOI

      10.1021/la205063f

    • Related Report
      2011 Annual Research Report
    • Peer Reviewed
  • [Journal Article] MOFナノ空間における吸着誘起構造転移の機構解明2011

    • Author(s)
      宮原稔・沼口遼平
    • Journal Title

      触媒

      Volume: 53 Pages: 438-443

    • NAID

      10030178911

    • Related Report
      2011 Annual Research Report 2011 Final Research Report
  • [Journal Article] Unveiling Thermal Transitions of Polymers in Subnanometre pores2010

    • Author(s)
      T. Uemura, N. Yanai, S. Watanabe, H. Tanaka, R. Numaguchi, M. T. Miyahara, Y. Ohta, Nagaoka and S. Kitagawa
    • Journal Title

      Nature Communications

      Volume: 83 Issue: 1 Pages: 1-8

    • DOI

      10.1038/ncomms1091

    • Related Report
      2011 Final Research Report 2010 Annual Research Report
    • Peer Reviewed
  • [Presentation] 多孔性配位高分子が示す吸着誘起構造転移現象の自由エネルギー解析及び遷移状態理論解析2012

    • Author(s)
      沼口遼平・田中秀樹・渡邉哲・宮原稔
    • Organizer
      化学工学会第77年会
    • Place of Presentation
      東京
    • Year and Date
      2012-03-16
    • Related Report
      2011 Annual Research Report
  • [Presentation] Synthesis and Characterization of ZIF-8 Nanoparticles Using a Micromixer2012

    • Author(s)
      Daigo Yamamoto, Taisuke Maki, Satoshi Watanabe, Hideki Tanaka, Minoru Miyahara, Kazuhiro Mae
    • Organizer
      The International Conferences on Microreaction Technology (IMRET12)
    • Place of Presentation
      Lyon, France
    • Year and Date
      2012-02-20
    • Related Report
      2011 Annual Research Report
  • [Presentation] Synthesis ank characterization of ZIF-8 Nan particles Using a Mcromixer2012

    • Author(s)
      D. Yamamoto, T. Maki, S. Watanabe, H. Tanaka, M. T. Miyahara, and K. Mae
    • Organizer
      Nan oparticles Using a Micromrxer
    • Place of Presentation
      Lyon, france
    • Related Report
      2011 Final Research Report
  • [Presentation] 細孔壁ラフネスを考慮したAtomisticなシリカ細孔モデルにおける吸着挙動の検討2011

    • Author(s)
      田中秀樹, 西山奈津美, 宮原稔
    • Organizer
      第25回日本吸着学会
    • Place of Presentation
      那覇
    • Year and Date
      2011-11-10
    • Related Report
      2011 Final Research Report
  • [Presentation] 細孔壁ラフネスを考慮したAtomisticなシリカ細孔モデルにおける吸着挙動の検討2011

    • Author(s)
      田中秀樹, 西山奈津美, 宮原稔
    • Organizer
      第25回日本吸着学会研究発表会
    • Place of Presentation
      那覇
    • Year and Date
      2011-11-10
    • Related Report
      2011 Annual Research Report
  • [Presentation] タックレイヤー型多孔性配位高分子におけるゲート効果発現メカニズム解明2011

    • Author(s)
      沼口遼平, 田中秀樹, 渡邉哲, 宮原稔
    • Organizer
      化学工学会第43回秋季大会
    • Place of Presentation
      愛知
    • Year and Date
      2011-09-15
    • Related Report
      2011 Final Research Report
  • [Presentation] スタックレイヤー型多孔性配位高分子におけるゲート効果発現メカニズムの解明2011

    • Author(s)
      沼口遼平・田中秀樹・渡邉哲・宮原稔
    • Organizer
      化学工学会第43回秋季大会
    • Place of Presentation
      愛知
    • Year and Date
      2011-09-15
    • Related Report
      2011 Annual Research Report
  • [Presentation] 集積型配位錯体におけるゲート吸着挙動の温度依存性および速度論的解析2011

    • Author(s)
      沼口遼平, 田中秀樹, 渡邉哲, 宮原稔
    • Organizer
      第63回コロイドおよ界面化学討輪会
    • Place of Presentation
      京都
    • Year and Date
      2011-09-08
    • Related Report
      2011 Final Research Report
  • [Presentation] 集積型配位錯体におけるゲート吸着挙動の温度依存性および速度論的解析2011

    • Author(s)
      沼口遼平・田中秀樹・渡邉哲・宮原稔
    • Organizer
      第63回コロイドおよび界面化学討論会
    • Place of Presentation
      京都
    • Year and Date
      2011-09-08
    • Related Report
      2011 Annual Research Report
  • [Presentation] Grand free-energy analysis of structural transition based on molecular simulation : How and to what extent can a simple model elucidate the mechanism?2011

    • Author(s)
      M.T.Miyahara, R.Numaguchi, H.Sugiyama, S.Watanabe, H.Tanaka
    • Organizer
      Adsorption in Compliant Nanoporous Solids : Theory, Simulation, and Experiments
    • Place of Presentation
      Paris, France
    • Year and Date
      2011-06-10
    • Related Report
      2011 Annual Research Report
  • [Presentation] Detailed and extended free-energy analysis of adsorption-induced lattice transition of MOFs with flexible structures2011

    • Author(s)
      M.T.Miyahara, R.Numaguchi, H.Sugiyama, S.Watanabe, H.Tanaka
    • Organizer
      COPS-IX (9th International Symposium on the Characterization of Porous Solids)
    • Place of Presentation
      Dresden, Germany
    • Year and Date
      2011-06-07
    • Related Report
      2011 Annual Research Report
  • [Presentation] スタックレイヤー型多孔性配位高分子における吸着誘起構造転移の自由エネルギー解析2011

    • Author(s)
      沼口遼平, 田中秀樹, 渡邉哲, 宮原稔
    • Organizer
      化学工学会 第76年会
    • Place of Presentation
      東京
    • Year and Date
      2011-03-24
    • Related Report
      2010 Annual Research Report
  • [Presentation] 多孔性配位高分子が示す吸着誘起構造転移現象の自由エネルギー解析及び遷状態理論解析2011

    • Author(s)
      沼口遼平, 田中秀樹, 渡邉哲, 宮原稔
    • Organizer
      化学工学会第77年会
    • Place of Presentation
      東京
    • Related Report
      2011 Final Research Report
  • [Presentation] Grand free-energy analysis of structuratransition based on mHow and to what extent can a simple model elucidate the mechanism2011

    • Author(s)
      M. T. Miyahara, R. Numaguchi, H. Sugiyama, S. Watanabe and H. Tanaka
    • Organizer
      Adsorption in Compliant Nan oporous Solids
    • Place of Presentation
      Paris, France
    • Related Report
      2011 Final Research Report
  • [Presentation] Detailed and extended free-energy analysof adsorption-induced lattice transition of MOFs with flexible structures2011

    • Author(s)
      M. T. Miyahara, R. Numaguchi, H. Sugiyama, S. Watanabe and H. Tanaka
    • Place of Presentation
      Dresden, Germany
    • Related Report
      2011 Final Research Report
  • [Presentation] スタックレイヤー型多孔性配位高分子における吸着誘起構造転移の自由エネギー解析2011

    • Author(s)
      沼口遼平, 田中秀樹, 渡邉哲, 宮原稔
    • Organizer
      第24回化学工学3支部合同徳島大会表会
    • Place of Presentation
      宮城
    • Related Report
      2011 Final Research Report
  • [Presentation] Adsorption-InMOF_S with Flexible Structures : Free-Energy Analysis based on Molecular Simulation2010

    • Author(s)
      M. Miyahara, H. Sugiyama, Y. Mino, R. Numaguchi, S. Watanabe and H. Tanaka
    • Place of Presentation
      Hawae, USA
    • Year and Date
      2010-12-16
    • Related Report
      2011 Final Research Report
  • [Presentation] Adsorption-Induced Lattice Transition of MOFs with Flexible Structures : Free-Energy Analysis based on Molecular Simulation2010

    • Author(s)
      M.Miyahara, H.Sugiyama, Y.Mino, R.Numaguchi, S.Watanabe, H.Tanaka
    • Organizer
      The International Chemical Congress of Pacific Basin Societies (PacifiChem 2010)
    • Place of Presentation
      Hawai, USA
    • Year and Date
      2010-12-16
    • Related Report
      2010 Annual Research Report
  • [Presentation] スタックレイヤー型多孔性配位高分子における吸着誘起構造転移の自由エネルギー解析2010

    • Author(s)
      沼口遼平, 田中秀樹, 渡邉哲, 宮原稔
    • Organizer
      材料化学システム工学討論会
    • Place of Presentation
      京都
    • Year and Date
      2010-12-05
    • Related Report
      2011 Final Research Report
  • [Presentation] スタックレイヤー型多孔性配位高分子における吸着誘起構造転移の自由エネルギー解析2010

    • Author(s)
      沼口遼平, 田中秀樹, 渡邉哲, 宮原稔
    • Organizer
      材料化学システム工学討論会2010
    • Place of Presentation
      京都
    • Year and Date
      2010-12-05
    • Related Report
      2010 Annual Research Report
  • [Presentation] スタックレイヤー型多孔性配位高分子における吸着誘起構造転移の自由エネルギー解析2010

    • Author(s)
      沼口遼平, 田中秀樹, 渡邉哲, 宮原稔
    • Organizer
      第24回日本吸着学会研究発表会
    • Place of Presentation
      宮城
    • Year and Date
      2010-11-06
    • Related Report
      2010 Annual Research Report
  • [Presentation] スタックレイヤー型多孔性配位高分子における吸着誘起構造転移の自由エネルギー解析2010

    • Author(s)
      沼口遼平, 田中秀樹, 渡邉哲, 宮原稔
    • Organizer
      第3回化学工学3支徳島大会
    • Place of Presentation
      徳島
    • Year and Date
      2010-10-23
    • Related Report
      2011 Final Research Report
  • [Presentation] スタックレイヤー型多孔性配位高分子における吸着誘起構造転移の自由エネルギー解析2010

    • Author(s)
      沼口遼平, 田中秀樹, 渡邉哲, 宮原稔
    • Organizer
      第3回化学工学3支部合同徳島大会
    • Place of Presentation
      徳島
    • Year and Date
      2010-10-23
    • Related Report
      2010 Annual Research Report
  • [Presentation] Adsorption-Induced Lattice Transition of MOFs with Flexible Structures : FAnalysis based on Molecular Simulation2010

    • Author(s)
      H. Sugiyama, Y. Mino, S. Watanabe, H. Tanaka and M. Miyahara
    • Place of Presentation
      Taipei, Taiwan
    • Year and Date
      2010-10-06
    • Related Report
      2011 Final Research Report
  • [Presentation] Adsorption-Induced Lattice Transition of MOFs with Flexible Structures : Free-Energy Analysis based on Molecular Simulation2010

    • Author(s)
      H.Sugiyama, Y.Mino, S.Watanabe, H.Tanaka , M.Miyahara
    • Organizer
      13th Asia Pacific Confederation of Chemical Engineering Congress (APCChE 2010)
    • Place of Presentation
      Taipei, Taiwan
    • Year and Date
      2010-10-06
    • Related Report
      2010 Annual Research Report
  • [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
      2010 Annual Research Report
  • [Presentation] 一次元ナノチャンネル内での鎖状分子集団の擬似凝固挙動2010

    • Author(s)
      沼口遼平, 目良友穂, 渡邉哲, 田中秀樹, 宮原稔
    • Organizer
      化学学会第42回秋季大会
    • Place of Presentation
      京都
    • Year and Date
      2010-09-07
    • Related Report
      2011 Final Research Report
  • [Presentation] 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.
    • Place of Presentation
      Marseille, France H. Sugiy
    • Year and Date
      2010-09-07
    • Related Report
      2011 Final Research Report
  • [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
      2010 Annual Research Report
  • [Presentation] 一次元ナノチャンネル内での鎖状分子集団の擬似凝固挙動2010

    • Author(s)
      沼口遼平, 目良友穂, 渡邉哲, 田中秀樹, 宮原稔
    • Organizer
      化学工学会 第42回秋季大会
    • Place of Presentation
      京都
    • Year and Date
      2010-09-07
    • Related Report
      2010 Annual Research Report
  • [Presentation] Free Energy Analysis for Adsorption-Induced Structural Transitiona Doubly Interpenetrating PCP2010

    • Author(s)
      H. Sugiyama, S. Watand, H. Tanaka and M. Miyahara
    • Place of Presentation
      Awaji, Japan
    • Year and Date
      2010-05-25
    • Related Report
      2011 Final Research Report
  • [Presentation] Free Energy Analysis for Adsorption-Induced Structural Transition of a Doubly Interpenetrating PCP2010

    • Author(s)
      H.Sugiyama, S.Watanabe, H.Tanaka, M.Miyahara
    • Organizer
      The 10th International Conference on Fundamentals of Adsorption (FOA10)
    • Place of Presentation
      Awaji, Japan
    • Year and Date
      2010-05-25
    • Related Report
      2010 Annual Research Report
  • [Presentation] Quasi-Freezing Behavior of Chain Molecules CChannels of Porous Coordination Polymers2010

    • Author(s)
      R. Numaguchi, T. Mera, S. Watanabe, H. Tanaka and M. T. Miyahara
    • Place of Presentation
      Awaji, Japan
    • Year and Date
      2010-05-24
    • Related Report
      2011 Final Research Report
  • [Presentation] Quasi-Freezing Behavior of Chain Molecules Confined in One Dimensional Channels of Porous Coordination Polymers2010

    • Author(s)
      R.Numaguchi, T.Mera, S.Watanabe, H.Tanaka, M.T.Miyahara
    • Organizer
      The 10th International Conference on Fundamentals of Adsorption (FOA10)
    • Place of Presentation
      Awaji, Japan
    • Year and Date
      2010-05-24
    • Related Report
      2010 Annual Research Report
  • [Presentation] 相互貫入型配位錯体におけるの細孔径・温度依存性2009

    • Author(s)
      杉山隼人, 渡邉哲, 田中秀樹, 宮原稔
    • Organizer
      第23回日本着学会研究発表会
    • Place of Presentation
      豊橋
    • Year and Date
      2009-11-27
    • Related Report
      2011 Final Research Report
  • [Presentation] 相互貫入型配位錯体におけるゲート効果の細孔径・温度依存性2009

    • Author(s)
      杉山隼人, 渡邉哲, 田中秀樹, 宮原稔
    • Organizer
      第23回 日本吸着学会研究発表会
    • Place of Presentation
      豊橋
    • Year and Date
      2009-11-27
    • Related Report
      2009 Annual Research Report
  • [Presentation] 動型配位錯体における吸着誘起移の分子シミュレーション2009

    • Author(s)
      杉山隼人, 渡邉哲, 田中秀樹, 宮原稔
    • Organizer
      第62回コロイドおよび界面化学討論会
    • Place of Presentation
      岡山
    • Year and Date
      2009-09-19
    • Related Report
      2011 Final Research Report
  • [Presentation] 可動型配位錯体における吸着誘起構造転移の分子シミュレーション2009

    • Author(s)
      杉山隼人, 渡邉哲, 田中秀樹, 宮原稔
    • Organizer
      第62回コロイドおよび界面化学討論会
    • Place of Presentation
      岡山
    • Year and Date
      2009-09-19
    • Related Report
      2009 Annual Research Report
  • [Presentation] Detailed Investigation on Free Energy for Adsorption-Induced Lattice Structural Transition of a Flexible2009

    • Author(s)
      H. Sugiyama, S. Watanabe and M. Miyahara
    • Place of Presentation
      Singapore
    • Year and Date
      2009-05-25
    • Related Report
      2011 Final Research Report
  • [Presentation] Free Energy Analysis for Adsorption-Induced Lattice Transition of Flexible Coordination Framework2009

    • Author(s)
      S. Watanabe, H. Sugiyama, H. Adachi, H. Tanaka and M. Miyahara
    • Place of Presentation
      Singapore
    • Year and Date
      2009-05-25
    • Related Report
      2011 Final Research Report
  • [Presentation] Free Energy Analysis for Adsorption-Induced Lattice Transition of Flexible Coordination Framework2009

    • Author(s)
      S.Watanabe, H.Sugiyama, H.Adachi, H.Tanaka, M.Miyahara
    • Organizer
      The 5th Pacific Basin Conference on Adsorption Science and Technology
    • Place of Presentation
      Singapore
    • Year and Date
      2009-05-25
    • Related Report
      2009 Annual Research Report
  • [Presentation] Detailed Investigation on Free Energy for Adsorption-Induced Lattice Structural Transition of a Flexible2009

    • Author(s)
      杉山隼人, 渡邉哲, 宮原稔
    • Organizer
      The 5th Pacific Basin Conference on Adsorption Science and Technology
    • Place of Presentation
      Singapore
    • Year and Date
      2009-05-25
    • Related Report
      2009 Annual Research Report
  • [Remarks]

    • URL

      http://www.cheme.kyoto-u.ac.jp/2koza/

    • Related Report
      2011 Final Research Report
  • [Remarks]

    • URL

      http://www.cheme.kyoto-u.ac.jp/2koza/

    • Related Report
      2011 Annual Research Report
  • [Remarks]

    • URL

      http://www.cheme.kyoto-u.ac.jp/2koza/

    • Related Report
      2010 Annual Research Report
  • [Remarks]

    • URL

      http://www.cheme.kyoto-u.ac.jp/2koza/

    • Related Report
      2009 Annual Research Report

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Published: 2009-04-01   Modified: 2019-06-17  

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