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Development of subnano-porous materials for hydrogen isotope separation by quantum molecular sieving

Research Project

Project/Area Number 25709074
Research Category

Grant-in-Aid for Young Scientists (A)

Allocation TypePartial Multi-year Fund
Research Field Properties in chemical engineering process/Transfer operation/Unit operation
Research InstitutionKyoto University

Principal Investigator

Tanaka Hideki  京都大学, 工学研究科, 講師 (80376368)

Project Period (FY) 2013-04-01 – 2016-03-31
Project Status Completed (Fiscal Year 2015)
Budget Amount *help
¥20,930,000 (Direct Cost: ¥16,100,000、Indirect Cost: ¥4,830,000)
Fiscal Year 2015: ¥1,300,000 (Direct Cost: ¥1,000,000、Indirect Cost: ¥300,000)
Fiscal Year 2014: ¥8,190,000 (Direct Cost: ¥6,300,000、Indirect Cost: ¥1,890,000)
Fiscal Year 2013: ¥11,440,000 (Direct Cost: ¥8,800,000、Indirect Cost: ¥2,640,000)
Keywords水素同位体分離 / CVD / 量子分子篩 / 分子シミュレーション
Outline of Final Research Achievements

In silico synthesis of zeolite-carbon complexs (ZCCs) was performed by molecular dyanimics method, and two hundred ZCCs with different carbon content were obtained from thirty zeolites. A new rapid vacuum pressure swing adsorption process for hydrogen isotope separation was considered based on the data obtained from grand canonical Monte Carlo simulations and transition state theory calculations using the ZCC models at 77 K, and it was found that AFI-ZCC derived from the AFI zeolite was promising for the D2 separation.

Report

(4 results)
  • 2015 Annual Research Report   Final Research Report ( PDF )
  • 2014 Annual Research Report
  • 2013 Annual Research Report
  • Research Products

    (30 results)

All 2016 2015 2014 2013 Other

All Journal Article (11 results) (of which Peer Reviewed: 9 results,  Acknowledgement Compliant: 2 results) Presentation (17 results) (of which Int'l Joint Research: 2 results,  Invited: 3 results) Remarks (2 results)

  • [Journal Article] Understanding gate adsorption behaviour of CO2 on elastic layer-structured metal-organic framework-112016

    • Author(s)
      Shotaro Hiraide, Hideki Tanaka and Minoru T. Miyahara
    • Journal Title

      Dalton Transactions

      Volume: 45 Issue: 10 Pages: 4193-4202

    • DOI

      10.1039/c5dt03476k

    • Related Report
      2015 Annual Research Report
    • Peer Reviewed / Acknowledgement Compliant
  • [Journal Article] Hydrogen Isotope Separation by Physical Adsorption at Low Temperatures2016

    • Author(s)
      田中 秀樹, 宮原 稔
    • Journal Title

      Earozoru Kenkyu

      Volume: 31 Issue: 1 Pages: 32-38

    • DOI

      10.11203/jar.31.32

    • NAID

      130005141294

    • ISSN
      0912-2834, 1881-543X
    • Related Report
      2015 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Potential theory for gate adsorption on soft porous crystals2015

    • Author(s)
      Ryouhei Numaguchi, Hideki Tanaka, Shotaro Hiraide and Minoru T. Miyahara
    • Journal Title

      Molecular Simulation

      Volume: 41 Issue: 16-17 Pages: 1329-1338

    • DOI

      10.1080/08927022.2015.1047369

    • Related Report
      2015 Annual Research Report
    • Peer Reviewed
  • [Journal Article] 吸着等温線の解析法-マイクロ孔径分布解析-2015

    • Author(s)
      田中 秀樹
    • Journal Title

      Adsorption News

      Volume: 29(3) Pages: 22-26

    • Related Report
      2015 Annual Research Report
  • [Journal Article] 吸着等温線の解析法-メソ孔径分布解析-2015

    • Author(s)
      田中 秀樹
    • Journal Title

      Adsorption News

      Volume: 29(4) Pages: 12-19

    • Related Report
      2015 Annual Research Report
  • [Journal Article] Modelling and Visualization of CO2 Adsorption on Elastic Layer-Structured Metal-Organic Framework-11: Toward a Better Understanding of Gate Adsorption Behavior2015

    • Author(s)
      H. Tanaka, S. Hiraide, A. Kondo, and M. T. Miyahara
    • Journal Title

      J. Phys. Chem. C

      Volume: 119 Issue: 21 Pages: 11533-11543

    • DOI

      10.1021/jp512870p

    • Related Report
      2014 Annual Research Report
    • Peer Reviewed / Acknowledgement Compliant
  • [Journal Article] Metal–semiconductor transition like behavior of naphthalene-doped single wall carbon nanotube bundles2014

    • Author(s)
      F. Khoerunnisa, A. Morelos-Gomez, H. Tanaka, T. Fujimori, D. Minami, R. Kukobat, T. Hayashi, S. Y. Hong, Y. C. Choi, M. Miyahara, M. Terrones, M. Endo, and K. Kaneko
    • Journal Title

      Faraday Discuss.

      Volume: 173 Pages: 145-156

    • DOI

      10.1039/c4fd00119b

    • NAID

      120007101484

    • Related Report
      2014 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Fluids in nanospaces : molecular simulation studies to find out key mechanisms for engineering2014

    • Author(s)
      Minoru T. Miyahara, Ryohei Numaguchi, Tatsumasa Hiratsuka, Kazuwki Nakai, Hideki Tanaka
    • Journal Title

      Adsorption

      Volume: 20 Issue: 2-3 Pages: 213-223

    • DOI

      10.1007/s10450-013-9588-2

    • Related Report
      2013 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Dependence of adsorption-induced structural transition on framework structure of porous coordination polymers2014

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

      J. Chem. Phys.

      Volume: 140 Issue: 4

    • DOI

      10.1063/1.4862735

    • NAID

      120005456025

    • Related Report
      2013 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Adsorption-Induced Structural Transition of ZIF-8: A Combined Experimental and Simulation Study2014

    • Author(s)
      H. Tanaka, S. Ohsaki, S. Hiraide, D. Yamamoto, S. Watanabe, and M. T. Miyahara
    • Journal Title

      J. Phys. Chem. C

      Volume: 印刷中 Issue: 16 Pages: 8445-8454

    • DOI

      10.1021/jp500931g

    • Related Report
      2013 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Reversible Pore Size Control of Elastic Microporous Material by Mechanical Force2013

    • Author(s)
      Masashi Ito, Hirotomo Nishihara, Kentaro Yamamoto, Hiroyuki Itoi, Hideki Tanaka, Akira Maki, Minoru T. Miyahara, Seung Jae Yang, Chong Rae Park, Takashi Kyotani
    • Journal Title

      Chem.-Eur. J.

      Volume: 19 Issue: 39 Pages: 13009-13016

    • DOI

      10.1002/chem.201301806

    • Related Report
      2013 Annual Research Report
    • Peer Reviewed
  • [Presentation] Hydrogen isotope separation by carbonaceous materials2015

    • Author(s)
      H. Tanaka and M. T. Miyahara
    • Organizer
      2015 AIChE Annual Meeting
    • Place of Presentation
      Salt Lake City, USA
    • Year and Date
      2015-11-08
    • Related Report
      2015 Annual Research Report
    • Int'l Joint Research
  • [Presentation] ナノ空間設計による吸着特性制御とその工学的モデル化2015

    • Author(s)
      田中 秀樹
    • Organizer
      材料化学システム工学討論会2015, 化学工学会 材料・界面部会
    • Place of Presentation
      東京工業大学, 東京
    • Year and Date
      2015-08-31
    • Related Report
      2015 Annual Research Report
    • Invited
  • [Presentation] 分子シミュレーションによる炭素材料のモデリング2015

    • Author(s)
      田中 秀樹
    • Organizer
      岡山大学異分野融合研究育成支援事業 シンポジウム 酸化グラフェン-無機・有機・高分子複合材料の合成と用途開拓
    • Place of Presentation
      岡山大学, 岡山
    • Year and Date
      2015-08-28
    • Related Report
      2015 Annual Research Report
    • Invited
  • [Presentation] Molecular Modeling of Carbonaceous Materials for Gas Separation and Storage2015

    • Author(s)
      Hideki Tanaka
    • Organizer
      13th China-Japan-Korea Joint Symposium on Carbon Materials to Save the Earth (CES2015)
    • Place of Presentation
      Xi’An, China
    • Year and Date
      2015-08-19
    • Related Report
      2015 Annual Research Report
    • Int'l Joint Research / Invited
  • [Presentation] Hydrogen Isotope Separation by Carbon Nanopores2015

    • Author(s)
      H. Tanaka and M. T. Miyahara
    • Organizer
      The 4th Symposium on Future Challenges for Carbon-Based Nanoporous Materials (CBNM-4)
    • Place of Presentation
      Nagano, Japan
    • Year and Date
      2015-03-16 – 2015-03-18
    • Related Report
      2014 Annual Research Report
  • [Presentation] 新規ゼオライト鋳型炭素のin silico合成およびその応用可能性の検討2014

    • Author(s)
      田中秀樹,瀬戸樹,西原洋知,京谷隆,宮原稔
    • Organizer
      第40回炭素材料学会年会
    • Place of Presentation
      福岡
    • Year and Date
      2014-12-08 – 2014-12-10
    • Related Report
      2014 Annual Research Report
  • [Presentation] Modeling and Visualization of Elastic Layer-Structured Metal-Organic Framework-11 Encapsulating CO2: Toward a Better Understanding of Gate Adsorption Behavior2014

    • Author(s)
      H. Tanaka, S. Hiraide, S. Watanabe, and M. T. Miyahara
    • Organizer
      AIChE Annual Meeting
    • Place of Presentation
      Atlanta, USA
    • Year and Date
      2014-11-16 – 2014-11-21
    • Related Report
      2014 Annual Research Report
  • [Presentation] 金属有機構造体ELM-11におけるゲート吸着挙動のモデリング2014

    • Author(s)
      田中 秀樹,平出 翔太郎, 近藤 篤,渡邉 哲,加納 博文,金子 克美,宮原 稔
    • Organizer
      第28回日本吸着学会研究発表会
    • Place of Presentation
      北海道
    • Year and Date
      2014-10-23 – 2014-10-24
    • Related Report
      2014 Annual Research Report
  • [Presentation] Modeling and Visualization of Elastic Layer-Structured Metal-Organic Framework-11 Encapsulating CO2: Toward a Better Understanding of Gate Adsorption Behavior2014

    • Author(s)
      H. Tanaka, S. Hiraide, S. Watanabe, and M. T. Miyahara
    • Organizer
      4th International Conference on Metal-Organic Frameworks & Open Framework Compounds (MOF2014)
    • Place of Presentation
      Kobe, Japan
    • Year and Date
      2014-09-28 – 2014-10-01
    • Related Report
      2014 Annual Research Report
  • [Presentation] 分子シミュレーションによる新規ゼオライト鋳型炭素の探索2014

    • Author(s)
      田中 秀樹,瀬戸 樹,西原 洋知,京谷 隆,宮原 稔
    • Organizer
      化学工学会 第46回秋季大会
    • Place of Presentation
      福岡
    • Year and Date
      2014-09-17 – 2014-09-19
    • Related Report
      2014 Annual Research Report
  • [Presentation] 分子シミュレーションによる新規ゼオライト鋳型炭素の探索2014

    • Author(s)
      田中 秀樹,瀬戸 樹,西原 洋知,京谷 隆,宮原 稔
    • Organizer
      第65回コロイドおよび界面化学討論会
    • Place of Presentation
      東京
    • Year and Date
      2014-09-03 – 2014-09-05
    • Related Report
      2014 Annual Research Report
  • [Presentation] Gate opening in ELM-11 induced by CO2 adsorption2014

    • Author(s)
      H. Tanaka, S. Hiraide, R. Numaguchi, S. Watanabe, and M. T. Miyahara
    • Organizer
      10th International Symposium on the Characterization of Porous Solids (COPS-X)
    • Place of Presentation
      Granada, Spain
    • Year and Date
      2014-05-11 – 2014-05-14
    • Related Report
      2014 Annual Research Report
  • [Presentation] 多孔性配位錯体における吸着誘起構造転移の自由エネルギー解析2014

    • Author(s)
      田中 秀樹, 平出 翔太郎, 大崎 修司, 渡邉 哲, 宮原 稔
    • Organizer
      化学工学会 第79年会
    • Place of Presentation
      岐阜市
    • Related Report
      2013 Annual Research Report
  • [Presentation] Adsorption-Induced Structural Transition of ZIF-82013

    • Author(s)
      H. Tanaka, S. Ohsaki, D. Yamamoto, R. Numaguchi, S. Watanabe and M. T. Miyahara
    • Organizer
      11th International Conference on Fundamentals of Adsorption (FOA11)
    • Place of Presentation
      Baltimore, USA
    • Related Report
      2013 Annual Research Report
  • [Presentation] Hydrogen Isotope Separation in Zeolite-Carbon Complex2013

    • Author(s)
      H. Tanaka, K. Nakamura, A. Maki and M. T. Miyahara
    • Organizer
      11th International Conference on Fundamentals of Adsorption (FOA11)
    • Place of Presentation
      Baltimore, USA
    • Related Report
      2013 Annual Research Report
  • [Presentation] 分子篩炭素合成過程の分子シミュレーション2013

    • Author(s)
      田中 秀樹,真木 晶,山根 康之,國本 泰徳,酒井 正信,宮原 稔
    • Organizer
      第26回日本吸着学会研究発表会
    • Place of Presentation
      千葉市
    • Related Report
      2013 Annual Research Report
  • [Presentation] 活性炭への炭素被膜形成の分子シミュレーション2013

    • Author(s)
      田中 秀樹,真木 晶,山根 康之,國本 泰徳,酒井 正信,宮原 稔
    • Organizer
      第40回炭素材料学会年会
    • Place of Presentation
      京都市
    • Related Report
      2013 Annual Research Report
  • [Remarks]

    • URL

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

    • Related Report
      2015 Annual Research Report
  • [Remarks]

    • URL

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

    • Related Report
      2014 Annual Research Report

URL: 

Published: 2013-05-21   Modified: 2019-07-29  

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