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Gas Storage Materials by Ice at Ordinary Temperatures and Pressures

Research Project

Project/Area Number 24656575
Research Category

Grant-in-Aid for Challenging Exploratory Research

Allocation TypeSingle-year Grants
Research Field Energy engineering
Research InstitutionTohoku University

Principal Investigator

MIZUSEKI Hiroshi  東北大学, 金属材料研究所, 准教授 (00271966)

Co-Investigator(Kenkyū-buntansha) BELOSLUDOV Rodion  東北大学, 金属材料研究所, 准教授 (10396517)
SAHARA Ryoji  東北大学, 金属材料研究所, 准教授 (30323075)
Project Period (FY) 2012-04-01 – 2014-03-31
Project Status Completed (Fiscal Year 2013)
Budget Amount *help
¥4,030,000 (Direct Cost: ¥3,100,000、Indirect Cost: ¥930,000)
Fiscal Year 2013: ¥1,560,000 (Direct Cost: ¥1,200,000、Indirect Cost: ¥360,000)
Fiscal Year 2012: ¥2,470,000 (Direct Cost: ¥1,900,000、Indirect Cost: ¥570,000)
Keywordsクラスレートハイドレート / ガスハイドレート / ガス貯蔵材料 / 第一原理計算 / コンピューターシミュレーション / 材料設計 / エネルギー貯蔵 / 相図作成 / シミュレーション
Research Abstract

The thermodynamic conditions for the formation and stability of clathrate hydrates with complex guest compositions have been determined, with a special emphasis on the possibility of hydrates used as agents for storage of various gases. Over a wide pressure-temperature range, we performed atomistic-level theoretical modeling of structural, dynamical, and thermodynamic properties of various ices and hydrates with differing structures, using our original approach. The influence of the guest molecules on the host lattice of hydrates of differing structure have been examined, with the aim of estimating gas content in the hydrate phase, targeting high contents. The possibility of maintaining self-preservation effects for gas clathrate hydrates has been also investigated.

Report

(3 results)
  • 2013 Annual Research Report   Final Research Report ( PDF )
  • 2012 Research-status Report
  • Research Products

    (17 results)

All 2014 2013 2012 Other

All Journal Article (6 results) (of which Peer Reviewed: 4 results) Presentation (5 results) Remarks (6 results)

  • [Journal Article] “Stability and Composition of Helium Hydrates Based on Ices Ih and II at Low Temperatures”2014

    • Author(s)
      Rodion V. Belosludov, Yulia Y. Bozhko, Oleg S. Subbotin,‡ Vladimir R. Belosludov, Hiroshi Mizuseki, Yoshiyuki Kawazoe, and Vasily M. Fomin,
    • Journal Title

      J. Phys. Chem. C

      Volume: vol.118, iss.5 Issue: 5 Pages: 2587-2593

    • DOI

      10.1021/jp411241s

    • Related Report
      2013 Annual Research Report 2013 Final Research Report
    • Peer Reviewed
  • [Journal Article] Theoretical Modelling of the Phase Diagrams of Clathrate Hydrates for Hydrogen Storage Applications2012

    • Author(s)
      R. V. Belosludov, R. K. Zhdanov, O. S. Subbotin, H. Mizuseki, M. Souissi, Y. Kawazoe, and V. R. Belosludov
    • Journal Title

      Mol. Sim.

      Volume: 38 Issue: 10 Pages: 773-780

    • DOI

      10.1080/08927022.2011.654204

    • Related Report
      2013 Final Research Report 2012 Research-status Report
    • Peer Reviewed
  • [Journal Article] An Atomistic Level Description of Guest Molecule Effect on the Formation of Hydrate Crystal Nuclei by Ab Initio Calculations2012

    • Author(s)
      R. V. Belosludov, H. Mizuseki, M. Souissi, Y. Kawazoe, J. Kudoh, O. S. Subbotin, T. Adamova, and V. R. Belosludov
    • Journal Title

      J.Str.Chem.

      Volume: 53 Pages: 619-626

    • Related Report
      2013 Final Research Report
    • Peer Reviewed
  • [Journal Article] Theoretical Investigation of Ozone Hydrate Formation Conditions2012

    • Author(s)
      O. S. Subbotin, T. P. Adamova, R. V. Belosludov, H. Mizuseki, Y. Kawazoe, and R. Belosludov
    • Journal Title

      J.Str.Chem.

      Volume: 53 Pages: 627-633

    • Related Report
      2013 Final Research Report
    • Peer Reviewed
  • [Journal Article] An Atomistic Level Description of Guest Molecule Effect on the Formation of Hydrate Crystal Nuclei by Ab Initio Calculations2012

    • Author(s)
      R. V. Belosludov, H. Mizuseki, M. Souissi, Y. Kawazoe, J. Kudoh, O. S. Subbotin, T. Adamova, and V. R. Belosludov
    • Journal Title

      J. Str. Chem.

      Volume: 53 Pages: 619-626

    • Related Report
      2012 Research-status Report
  • [Journal Article] Theoretical Investigation of Ozone Hydrate Formation Conditions2012

    • Author(s)
      O. S. Subbotin, T. P. Adamova, R. V. Belosludov, H. Mizuseki, Y. Kawazoe, and V. R. Belosludov
    • Journal Title

      J. Str. Chem.

      Volume: 53 Pages: 627-633

    • Related Report
      2012 Research-status Report
  • [Presentation] Theoretical Study of Gas Storage Materials based on Clathrate Hydrate2013

    • Author(s)
      H. Mizuseki, R. V. Belosludov, O. S Subbotin, V. Belosludov, and Y. Kawazoe
    • Organizer
      MANA International Symposium 2013
    • Place of Presentation
      Tsukuba, Japan
    • Related Report
      2013 Final Research Report 2012 Research-status Report
  • [Presentation] Simulation Study of Gas Storage Materials based on Clathrate Hydrates2013

    • Author(s)
      H. Mizuseki, R. V. Belosludov, O. S Subbotin, V. Belosludov, and Y. Kawazoe
    • Organizer
      The 3rd AICS International Symposium
    • Place of Presentation
      Kobe, Japan
    • Related Report
      2013 Final Research Report 2012 Research-status Report
  • [Presentation] 川添良幸第一原理計算による新規有機水素貯蔵材料の評価2013

    • Author(s)
      水関博志、N. S. Venkataramanan、佐原亮二
    • Organizer
      ナノ学会第11回大会
    • Place of Presentation
      東京工業大学・百年記念館
    • Related Report
      2013 Final Research Report
  • [Presentation] Modeling on Storage Properties in Potential Hydrogen Storage Media2013

    • Author(s)
      H. Mizuseki
    • Organizer
      8th Pacific Rim International Congress on Advanced Materials and Processing (PRICM-8)
    • Place of Presentation
      Waikoloa, HI, U.S.A.
    • Related Report
      2013 Annual Research Report 2013 Final Research Report
  • [Presentation] 第一原理計算による新規有機水素貯蔵材料の評価2013

    • Author(s)
      水関博志、N. S. Venkataramanan、佐原亮二、川添良幸
    • Organizer
      ナノ学会第11回大会
    • Place of Presentation
      東京工業大学・百年記念館
    • Related Report
      2013 Annual Research Report
  • [Remarks]

    • URL

      http://imcm.kist.re.kr/?q=profile/mizuseki-hiroshi

    • Related Report
      2013 Final Research Report
  • [Remarks]

    • URL

      http://tombo.mobility.niche.tohoku.ac.jp

    • Related Report
      2013 Final Research Report
  • [Remarks]

    • URL

      http://www-lab.imr.edu/~ccms/Jpn/public_info/

    • Related Report
      2013 Final Research Report
  • [Remarks] 水関博志(韓国科学技術研究院)

    • URL

      http://imcm.kist.re.kr/?q=profile/mizuseki-hiroshi

    • Related Report
      2013 Annual Research Report
  • [Remarks] TOMBO

    • URL

      http://tombo.mobility.niche.tohoku.ac.jp

    • Related Report
      2013 Annual Research Report
  • [Remarks] 東北大学・金属材料研究所・計算材料学センター

    • URL

      http://www-lab.imr.edu/~ccms/Jpn/public_info/

    • Related Report
      2013 Annual Research Report

URL: 

Published: 2013-05-31   Modified: 2019-07-29  

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