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Theoretical studies on controlling the crystallization of clathrate materials and on designing the novel crystal/quasicrystal structures

Research Project

Project/Area Number 24550025
Research Category

Grant-in-Aid for Scientific Research (C)

Allocation TypeMulti-year Fund
Section一般
Research Field Physical chemistry
Research InstitutionOkayama University

Principal Investigator

MATSUMOTO Masakazu  岡山大学, 自然科学研究科, 准教授 (10283459)

Project Period (FY) 2012-04-01 – 2015-03-31
Project Status Completed (Fiscal Year 2014)
Budget Amount *help
¥5,460,000 (Direct Cost: ¥4,200,000、Indirect Cost: ¥1,260,000)
Fiscal Year 2014: ¥1,690,000 (Direct Cost: ¥1,300,000、Indirect Cost: ¥390,000)
Fiscal Year 2013: ¥1,690,000 (Direct Cost: ¥1,300,000、Indirect Cost: ¥390,000)
Fiscal Year 2012: ¥2,080,000 (Direct Cost: ¥1,600,000、Indirect Cost: ¥480,000)
Keywords理論化学 / 物理化学 / 分子動力学シミュレーション / 統計力学理論 / クラスレート化合物 / 相転移と臨界現象 / 核生成・結晶成長 / 準安定相 / 分子シミュレーション / 結晶の安定性 / 結晶構造選択則 / 準結晶
Outline of Final Research Achievements

We investigated the intermediate stages toward the phase transition between liquid and solid phases of water. It is found that the melting and crystallization is not that simple, but many intermediate states and structures intervene the initial and final states. For example, in the process that ice melts when it is heated homogeneously, separation of pair defects play the crucial role. Methane bubbles in the dissociation process of methane hydrate, unknown metastable ice phase in the freezing process of ice VII, plastic ice and tricritical phenomena in the melting process of ice VII, are other examples of the newly discovered events in the phase transition processes. We also expand the theory of evaluating the stability of clathrate hydrates more precisely, and also propose a concept of generalized phase diagram to understand the polymorphism of clathrate hydrates.

Report

(4 results)
  • 2014 Annual Research Report   Final Research Report ( PDF )
  • 2013 Research-status Report
  • 2012 Research-status Report
  • Research Products

    (34 results)

All 2015 2014 2013 2012 Other

All Journal Article (18 results) (of which Peer Reviewed: 18 results) Presentation (15 results) (of which Invited: 14 results) Book (1 results)

  • [Journal Article] Structure and Thermodynamic Stability of High-Pressure Filled Ices Containing Hydrogen2014

    • Author(s)
      Hakim, L., Yagasaki, T., Matsumoto, M. & Tanaka, H.
    • Journal Title

      The Review of High Pressure Science and Technology

      Volume: 24 Issue: 4 Pages: 265-269

    • DOI

      10.4131/jshpreview.24.265

    • NAID

      130004841903

    • ISSN
      0917-639X, 1348-1940
    • Related Report
      2014 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Dissociation of Methane Hydrate in Aqueous NaCl Solutions2014

    • Author(s)
      Yagasaki, T., Matsumoto, M., Andoh, Y., Okazaki, S. & Tanaka, H.
    • Journal Title

      J. Phys. Chem. B

      Volume: 118 Issue: 40 Pages: 11797-11804

    • DOI

      10.1021/jp507978u

    • Related Report
      2014 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Frozen, Mostly.2014

    • Author(s)
      Matsumoto, M.
    • Journal Title

      JPSJ News and Comments

      Volume: 11 Pages: 13-13

    • DOI

      10.7566/jpsjnc.11.13

    • Related Report
      2014 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Spin-One Ising Model for Ice VII-Plastic Ice Phase Transitions2014

    • Author(s)
      Masakazu Matsumoto, Kazuhiro Himoto, Hideki Tanaka
    • Journal Title

      The Journal of Physical Chemistry B

      Volume: 118 Issue: 47 Pages: 13387-92

    • DOI

      10.1021/jp5049502

    • Description
      印刷中
    • Related Report
      2014 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Diversity of transition pathways in the course of crystallization into ice VII2014

    • Author(s)
      Kenji Mochizuki, Kazuhiro Himoto, and Masakazu Matsumoto
    • Journal Title

      Physical Chemistory Chemical Physics

      Volume: 16 Issue: 31 Pages: 16419-16425

    • DOI

      10.1039/c4cp01616e

    • Related Report
      2014 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Effect of Bubble Formation on the Dissociation of Methane Hydrate in Water: A Molecular Dynamics Study.2014

    • Author(s)
      Yagasaki, T., Matsumoto, M., Andoh, Y., Okazaki, S. & Tanaka, H.
    • Journal Title

      J. Phys. Chem. B

      Volume: 118 Issue: 7 Pages: 1900-1906

    • DOI

      10.1021/jp412692d

    • Related Report
      2014 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Spontaneous liquid-liquid phase separation of water2014

    • Author(s)
      Yagasaki, T., Matsumoto, M. & Tanaka, H.
    • Journal Title

      Phys. Rev. E

      Volume: 89 Issue: 2 Pages: 020301-020301

    • DOI

      10.1103/physreve.89.020301

    • Related Report
      2014 Annual Research Report
    • Peer Reviewed
  • [Journal Article] On the thermodynamic stability of hydrogen hydrates in the presence of promoter molecules2014

    • Author(s)
      Nakayama, T., Matsumoto, M. & Tanaka, H.
    • Journal Title

      SOLAR CHEMICAL ENERGY STORAGE: SolChES

      Volume: 1568 Pages: 46-52

    • DOI

      10.1063/1.4848090

    • Related Report
      2014 Annual Research Report 2013 Research-status Report
    • Peer Reviewed
  • [Journal Article] プラスチック氷の構造とダイナミクス2013

    • Author(s)
      樋本和大、松本正和、田中秀樹
    • Journal Title

      低温科学

      Volume: 71 Pages: 131-140

    • Related Report
      2013 Research-status Report 2012 Research-status Report
    • Peer Reviewed
  • [Journal Article] 立体フラーレン型化合物の構造選択則2013

    • Author(s)
      松本正和、田中秀樹
    • Journal Title

      低温科学

      Volume: 71 Pages: 161-171

    • Related Report
      2013 Research-status Report 2012 Research-status Report
    • Peer Reviewed
  • [Journal Article] Defect pair separation as the controlling step in homogeneous ice melting2013

    • Author(s)
      Mochizuki, K., Matsumoto, M. & Ohmine, I.
    • Journal Title

      Nature

      Volume: 498 Issue: 7454 Pages: 350-354

    • DOI

      10.1038/nature12190

    • Related Report
      2013 Research-status Report
    • Peer Reviewed
  • [Journal Article] ガスハイドレートの熱力学的安定性について2013

    • Author(s)
      田中秀樹、松本正和
    • Journal Title

      高圧力の科学と技術

      Volume: 23 Pages: 94-102

    • NAID

      10031183848

    • Related Report
      2013 Research-status Report
    • Peer Reviewed
  • [Journal Article] Statistical Mechanical Approach to the Thermodynamic Stability of Clathrate Hydrates,2013

    • Author(s)
      Tanaka, H. and M. Matsumoto, M.
    • Journal Title

      Adv. Chem. Phys.

      Volume: 152 Pages: 421-462

    • Related Report
      2012 Research-status Report
    • Peer Reviewed
  • [Journal Article] Metastable Polymorphs of Clathrate Hydrates2012

    • Author(s)
      M. Matsumotoand H. Tanaka
    • Journal Title

      J. Phys. Soc. Jpn

      Volume: 81(SA005) Issue: Suppl.A Pages: 8-8

    • DOI

      10.1143/jpsjs.81sa.sa005

    • Related Report
      2012 Research-status Report
    • Peer Reviewed
  • [Journal Article] Rotational Dynamics of Plastic Ice.2012

    • Author(s)
      K. Himoto, M. Matsumoto, and H. Tanaka
    • Journal Title

      J. Phys. Soc. Jpn

      Volume: 81(SA023) Issue: Suppl.A Pages: 5-5

    • DOI

      10.1143/jpsjs.81sa.sa023

    • Related Report
      2012 Research-status Report
    • Peer Reviewed
  • [Journal Article] Inclusion of Neon Inside Ice Ic and its Influence to the Ice Structure2012

    • Author(s)
      L. Hakim,M. Matsumoto, K. Koga, and H. Tanaka
    • Journal Title

      J. Phys. Soc. Jpn

      Volume: 81(SA018) Issue: Suppl.A Pages: 7-7

    • DOI

      10.1143/jpsjs.81sa.sa018

    • Related Report
      2012 Research-status Report
    • Peer Reviewed
  • [Journal Article] On the Occupancy of Carbon Dioxide Clathrate Hydrates: Grandcanonical Monte Carlo Simulations2012

    • Author(s)
      M. Matsumotoand H. Tanaka
    • Journal Title

      J. Phys. Soc. Jpn.

      Volume: 81(SA027) Issue: Suppl.A Pages: 6-6

    • DOI

      10.1143/jpsjs.81sa.sa027

    • Related Report
      2012 Research-status Report
    • Peer Reviewed
  • [Journal Article] Structure and Dynamics of Aqueous Solutions of Electrolytes in Confined Space.2012

    • Author(s)
      Y. Yamakawa, M. Matsumoto, and H. Tanaka
    • Journal Title

      J. Phys. Soc. Jpn

      Volume: 81(SA025) Issue: Suppl.A Pages: 6-6

    • DOI

      10.1143/jpsjs.81sa.sa025

    • Related Report
      2012 Research-status Report
    • Peer Reviewed
  • [Presentation] 高圧と低圧での水の結晶化相転移2015

    • Author(s)
      松本 正和
    • Organizer
      放射光・中性子によるセラミックス原子相関解析研究会
    • Place of Presentation
      岡山(岡山大学)
    • Year and Date
      2015-03-18
    • Related Report
      2014 Annual Research Report
    • Invited
  • [Presentation] "Complex network structure and dynamics of water"2015

    • Author(s)
      Masakazu Matsumoto
    • Organizer
      国際研究集会「Topological Data Analysis and Materials Science」
    • Place of Presentation
      仙台(東北大WPI-AIMR)
    • Year and Date
      2015-02-21
    • Related Report
      2014 Annual Research Report
    • Invited
  • [Presentation] 分子動力学法による水の自発的液液相分離2014

    • Author(s)
      松本正和
    • Organizer
      エレクトロニクス基礎研究所ワークショップ「氷の準液体相と不凍現象」
    • Place of Presentation
      大阪府寝屋川市(大阪電通大 駅前キャンパス)
    • Year and Date
      2014-11-14 – 2014-11-15
    • Related Report
      2014 Annual Research Report
    • Invited
  • [Presentation] 氷、ハイドレートの核生成2014

    • Author(s)
      松本正和
    • Organizer
      第 14 回メタンハイドレート研究アライアンス講演会
    • Place of Presentation
      東京都(産総研臨海副都⼼センター)
    • Year and Date
      2014-09-17
    • Related Report
      2014 Annual Research Report
    • Invited
  • [Presentation] ゲストによるハイドレート構造の選択性の理論2014

    • Author(s)
      松本正和
    • Organizer
      第 14 回メタンハイドレート研究アライアンス講演会
    • Place of Presentation
      東京都(産総研臨海副都⼼センター)
    • Year and Date
      2014-09-17
    • Related Report
      2014 Annual Research Report
    • Invited
  • [Presentation] Phase transitions and critical phenomena of ice under high pressure2014

    • Author(s)
      Masakazu Matsumoto, Kazuhiro Himoto, Kenji Mochizuki, and Hideki Tanaka
    • Organizer
      The 23rd Congress and General Assembly of the International Union of Crystallography (IUCr2014)
    • Place of Presentation
      Montreal, Canada.
    • Year and Date
      2014-08-09
    • Related Report
      2014 Annual Research Report
    • Invited
  • [Presentation] Spontaneous separation in the supercooled water2014

    • Author(s)
      Takuma Yagasaki, Masakazu Matsumoto, and Hideki Tanaka
    • Organizer
      Miniconference on water
    • Place of Presentation
      Boston, MA, USA (Boston University)
    • Year and Date
      2014-07-27
    • Related Report
      2014 Annual Research Report
    • Invited
  • [Presentation] Melting and freezing dynamics of water2014

    • Author(s)
      Masakazu Matsumoto
    • Organizer
      International Workshop “Over the Barriers of Transition Paths: Dynamical Processes in Proteins and Complex Molecular Systems"
    • Place of Presentation
      Machida (Tokyo Institute of Technology)
    • Year and Date
      2014-06-28
    • Related Report
      2014 Annual Research Report
    • Invited
  • [Presentation] Melting Dynamics of Ice2014

    • Author(s)
      M. Matsumoto
    • Organizer
      The Eigth International Conference on 
the Science and Technology for Advanced Ceramics(STAC8),
    • Place of Presentation
      Yokohama (Mielparque Yokohama)
    • Year and Date
      2014-06-26
    • Related Report
      2014 Annual Research Report
    • Invited
  • [Presentation] 水の相転移ダイナミクス

    • Author(s)
      松本正和
    • Organizer
      第2回シンポジウム「生命科学に取り組む異分野の融合と交流の推進:スーパーコンピューター京と生命科学」
    • Place of Presentation
      岡山市
    • Related Report
      2013 Research-status Report
    • Invited
  • [Presentation] 構造から考える水の液液共存

    • Author(s)
      松本 正和、矢ヶ崎 琢磨、田中 秀樹
    • Organizer
      日本物理学会秋季大会
    • Place of Presentation
      徳島市
    • Related Report
      2013 Research-status Report
    • Invited
  • [Presentation] 低温の水・水溶液の特異な物性

    • Author(s)
      松本正和
    • Organizer
      第60回日本臨床検査医学会学術集会シンポジウム
    • Place of Presentation
      神戸市
    • Related Report
      2013 Research-status Report
    • Invited
  • [Presentation] 水の液液相転移

    • Author(s)
      松本正和
    • Organizer
      TCCI実験化学との交流シンポジウム
    • Place of Presentation
      京都市
    • Related Report
      2013 Research-status Report
  • [Presentation] Structure Selectivity of Clathrate Hydrates

    • Author(s)
      Masakazu Matsumoto
    • Organizer
      Workshop on Structure and Dynamics of Water in Gas, Liquid and Solid Phases
    • Place of Presentation
      Taipei
    • Related Report
      2012 Research-status Report
    • Invited
  • [Presentation] Structure Selectivity of Clathrate Hydrates

    • Author(s)
      Masakazu Matsumoto
    • Organizer
      Small workshop on Recent topics in Physics and Chemical Physics
    • Place of Presentation
      岡山
    • Related Report
      2012 Research-status Report
    • Invited
  • [Book] Advances in Chemical Physics, Volume 152, Liquid Polymorphism2013

    • Author(s)
      Tanaka, H. and M. Matsumoto, M.
    • Publisher
      lWiley
    • Related Report
      2013 Research-status Report

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

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