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Establishment of time-course flowability evaluation based on the design guide of metallic fluid containing the nano-particle possessing the deterrent capability against explosion

Research Project

Project/Area Number 16K01280
Research Category

Grant-in-Aid for Scientific Research (C)

Allocation TypeMulti-year Fund
Section一般
Research Field Social systems engineering/Safety system
Research InstitutionTohoku University

Principal Investigator

Suzuki Ai  東北大学, 未来科学技術共同研究センター, 准教授 (40463781)

Co-Investigator(Kenkyū-buntansha) Bonnaud Patrick  東北大学, 未来科学技術共同研究センター, 助教 (00757693)
Research Collaborator Miura Ryuji  
Project Period (FY) 2016-04-01 – 2019-03-31
Project Status Completed (Fiscal Year 2018)
Budget Amount *help
¥4,680,000 (Direct Cost: ¥3,600,000、Indirect Cost: ¥1,080,000)
Fiscal Year 2018: ¥1,820,000 (Direct Cost: ¥1,400,000、Indirect Cost: ¥420,000)
Fiscal Year 2017: ¥1,690,000 (Direct Cost: ¥1,300,000、Indirect Cost: ¥390,000)
Fiscal Year 2016: ¥1,170,000 (Direct Cost: ¥900,000、Indirect Cost: ¥270,000)
Keywords液体ナトリウム / ナノ粒子 / エンタルピー / 気/液/固界面 / 高速化量子計算 / 発火反応 / 遷移金属 / 冷却剤 / 気/液/固 界面 / 高速化量子分子動力学法 / 爆発反応 / 電位 / 電場 / 量子化学 / 量子分子動力学法 / ナノ微粒子 / 気液界面 / 大規模モデル / 火災・爆発防止 / 反応制御 / ナノ粒体 / 電気化学
Outline of Final Research Achievements

The liquid-sodium-water reaction was investigated by accelerated quantum chemical molecular dynamics study at 773 K. Pure sodium atoms at the interface lost electrons when they encountered the water molecules. While a hydrogen molecule produced on the gas-liquid interface the reaction, electropositive hydrogen of water and electronegative hydrogen adsorbed on the liquid sodium surface formed electro-neutral hydrogen molecule. However, hydrogen atoms in the sodium on the Ti surface formed a pair of chemisorbed H atoms instead of a H2 molecule.

Academic Significance and Societal Importance of the Research Achievements

原子レベルやナノ領域のミクロな観点からナノ粒子を構築する遷移金属とナトリウムの親和性や水との反応性を評価する量子化学的な解析と、粒子レベルの拡散特性や凝集特性を解析する、よりスケールの大きな観点での評価手法を同時に駆使しながら、ナノ粒子の有無で異なる表面張力・粘度を定量比較し、凝集の起こらない流動性が確保されたナノ粒体を最適化することは、領域をまたぐマルチスケール計算手法の構築自体が学術的に意義がある. 安全なナトリウム冷却剤の設計指針となり社会的に意義がある.

Report

(4 results)
  • 2018 Annual Research Report   Final Research Report ( PDF )
  • 2017 Research-status Report
  • 2016 Research-status Report
  • Research Products

    (26 results)

All 2018 2017 2016

All Journal Article (16 results) (of which Int'l Joint Research: 5 results,  Peer Reviewed: 15 results,  Open Access: 1 results,  Acknowledgement Compliant: 1 results) Presentation (10 results) (of which Int'l Joint Research: 7 results,  Invited: 2 results)

  • [Journal Article] Quantum Chemical Inspection on the Liquid Sodium-Water Reaction2018

    • Author(s)
      Ai Suzuki, Masayuki Miyano, Ryuji Miura, Jun-Ichi Saito, Kuniaki Ara
    • Journal Title

      The proceeding of the 14th International Conference on Flow Dynamics (ICFD2018)

      Volume: 1 Pages: 682-683

    • Related Report
      2018 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Quantum Chemical Inspection on the DNA Backbone Bias caused by 8oxoG2018

    • Author(s)
      Ai Suzuki, Masayuki Miyano, Ryuji Miura, Akira Sassa, Manabu Yasui, Masamitsu Honma
    • Journal Title

      The proceeding of the 14th International Conference on Flow Dynamics (ICFD2018)

      Volume: 1 Pages: 642-643

    • Related Report
      2018 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Theoretical estimation of Dielectric Constant of Electroactive Polymers2018

    • Author(s)
      Ai Suzuki, Masayuki Miyano, Ryuji Miura
    • Journal Title

      The proceeding of the 14th International Conference on Flow Dynamics (ICFD2018)

      Volume: 1 Pages: 550-551

    • Related Report
      2018 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Graphene-based ordered framework with a diverse range of carbon polygons formed in zeolite nanochannels2018

    • Author(s)
      H. Nishihara, H. Fujimoto, H. Itoi, K. Nomura, H. Tanaka, M. T. Miyahara, P. A. Bonnaud, Ryuji Miura, Ai Suzuki, N. Miyamoto, N. Hatakeyama, A. Miyamoto, K. Ikeda, T. Otomo, T. Kyotani
    • Journal Title

      Carbon

      Volume: 129 Pages: 854-862

    • Related Report
      2018 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Thermal Behavior and Performance Trajectories of Electrolysers2018

    • Author(s)
      Hui Zhanga, Akira Miyamoto, Ai Suzuki, Haijiang Wangc, Mark C. Williams, “Thermal Behavior and Performance Trajectories of Electrolysers”, ECS Transactions, 83 (1) 211-224, 2018.
    • Journal Title

      ECS Transactions

      Volume: 83(1) Issue: 1 Pages: 211-224

    • DOI

      10.1149/08301.0211ecst

    • Related Report
      2018 Annual Research Report
  • [Journal Article] Thermal Behavior and Performance Trajectories of Electolysers2017

    • Author(s)
      Hui Zhanga, Akira Miyamoto, Ai Suzuki, Haijiang Wangc, Mark C. Williams
    • Journal Title

      ECS Transactions

      Volume: 6 Pages: 45-51

    • Related Report
      2017 Research-status Report
    • Peer Reviewed / Int'l Joint Research
  • [Journal Article] Graphene-basd ordered framework with a diverse range of carbon polygons formed in zeolite nanochannels2017

    • Author(s)
      Hirotomo Nishihara, Hiroyuki Fujimoto, Hiroyuki Ito, Keita Nomura, Hideki Tanaka, Minoru T. Miyahara, Patrick A. Bonnaud, Ryuji Miura, Ai Suzuki, Naoto Miyamoto, Nozomu Hatakeyama, Akira Miyamoto, Kazutaka Ikeda, Toshiya Otomo, Takashi Kyotani
    • Journal Title

      Carbon

      Volume: 129 Pages: 854-862

    • DOI

      10.1016/j.carbon.2017.12.055

    • Related Report
      2017 Research-status Report
    • Peer Reviewed / Open Access / Int'l Joint Research
  • [Journal Article] Molecular Simulation Study for Nano-Car Molecule on Au Surface2017

    • Author(s)
      Kenji Inaba, Yukie Ishizawa, Ryuji Miura, Ai Suzuki, Naoto Miyamoto, Nozomu Hatakeyama, Akira Miyamoto
    • Journal Title

      Fourteenth International Conference on Flow Dynamics Proceedings

      Volume: - Pages: 122-123

    • Related Report
      2017 Research-status Report
    • Peer Reviewed
  • [Journal Article] Development of the Molecular Simulation Program for Nano-Car2017

    • Author(s)
      Ryuji Miura, Yukie Ishizawa, Kenji Inaba, Ai Suzuki, Naoto Miyamoto, Nozomu Hatakeyama, Akira Miyamoto
    • Journal Title

      Fourteenth International Conference on Flow Dynamics Proceedings

      Volume: - Pages: 124-125

    • Related Report
      2017 Research-status Report
    • Peer Reviewed
  • [Journal Article] Quantum Chemical Evaluation of the Hydrogen Formation Process on the Pure Liquid Sodium and that with Containing Ti-Nanoparticles2017

    • Author(s)
      Ai Suzuki, Masayuki Miyano, Ryuji Miura, Jun-Ichi Saito, Kuniaki Ara
    • Journal Title

      Fourteenth International Conference on Flow Dynamics Proceedings

      Volume: - Pages: 550-551

    • Related Report
      2017 Research-status Report
    • Peer Reviewed
  • [Journal Article] Multiscale Modeling of Electro-mechanical Coupling in Electroactive Polymers2017

    • Author(s)
      Ai Suzuki, Ryuji Miura, Nozomu Hatakeyama, Jean-Yves Cavaille, Gildas Diguet, Gael Sebald
    • Journal Title

      Fourteenth International Conference on Flow Dynamics Proceedings

      Volume: - Pages: 668-669

    • Related Report
      2017 Research-status Report
    • Peer Reviewed
  • [Journal Article] Molecular Simulation Analysis for Adhesion Mechanisms Involved in Polyethylene Processed by Cold Spray2017

    • Author(s)
      Yukie Ishizawa, Kenji Inaba, Ryuji Miura, Ai Suzuki, Naoto Miyamoto, Nozomu Hatakeyama, Akira Miyamoto, Kazuhiro, Ogawa, Chrystelle Bernard, Jean-Yves Cavaille, Olivier Lame, Kesavan Ravi
    • Journal Title

      Fourteenth International Conference on Flow Dynamics Proceedings

      Volume: - Pages: 672-673

    • Related Report
      2017 Research-status Report
    • Peer Reviewed
  • [Journal Article] Quantum Chemical Comparison between The Reaction of Water with Liquid Sodium containing Ti-Nano Particles and Pure Liquid Sodium2017

    • Author(s)
      Ai Suzuki, Patrick Bonnaud, Masayuki Miyano, Hokuto Hata, Ryuji Miura, Jun-ichi Saito, Kuniaki Ara
    • Journal Title

      Proceedings of International Congress on Advances in Nuclear Power Plants 2017

      Volume: 120 Pages: 5-5

    • Related Report
      2016 Research-status Report
    • Peer Reviewed / Acknowledgement Compliant
  • [Journal Article] Effect of the Titanium Nanoparticle on the Quantum Chemical Characterization of the Liquid Sodium Nanofluid2016

    • Author(s)
      Ai Suzuki, Patrick Bonnaud, Mark C. Williams, Parasuraman Selvam, Nobutoshi Aoki, Masayuki Miyano, Akira Miyamoto, Jun-ichi Saito, and Kuniaki Ara
    • Journal Title

      The Journal of Physical Chemistry B

      Volume: 120 Issue: 14 Pages: 3527-3539

    • DOI

      10.1021/acs.jpcb.5b11461

    • Related Report
      2016 Research-status Report
    • Peer Reviewed / Int'l Joint Research
  • [Journal Article] Interaction grand potential between calcium-silicatehydrate nanoparticles at the molecular level2016

    • Author(s)
      Patrick A. Bonnaud, Christophe Labbez, Ryuji Miura, Ai Suzuki, Naoto Miyamoto, Nozomu Hatakeyama, Akira Miyamoto, and Krystyn J. Van Vlietc
    • Journal Title

      Nanoscale

      Volume: 8(7) Issue: 7 Pages: 4160-4172

    • DOI

      10.1039/c5nr08142d

    • Related Report
      2016 Research-status Report
    • Peer Reviewed / Int'l Joint Research
  • [Journal Article] Temperature dependence of nanoconfined water properties: Application to cementitious materials2016

    • Author(s)
      Patrick Alain Bonnaud, Hegoi Manzano, Ryuji Miura, Ai Suzuki, Naoto Miyamoto, Nozomu Hatakeyama, Akira Miyamoto
    • Journal Title

      Journal of Physical Chemistry C

      Volume: 120(21) Issue: 21 Pages: 11465-11480

    • DOI

      10.1021/acs.jpcc.6b00944

    • Related Report
      2016 Research-status Report
    • Peer Reviewed / Int'l Joint Research
  • [Presentation] Quantum Chemical Inspection on the Liquid Sodium-Water Reaction2018

    • Author(s)
      Ai Suzuki, M. Miyano, Ryuji Miura, Jun-Ichi Saito, Kuniaki Ara
    • Organizer
      The 14th International Conference on Flow Dynamics (ICFD2018), Sendai, Japan, November 8, 2018.
    • Related Report
      2018 Annual Research Report
    • Int'l Joint Research / Invited
  • [Presentation] Quantum Chemical Inspection on the DNA Backbone Bias caused by 8oxoG2018

    • Author(s)
      Ai Suzuki, M. Miyano, Ryuji Miura, A. Sassa, M. Yasui, Masamitsu Honma
    • Organizer
      The 14th International Conference on Flow Dynamics (ICFD2018), Sendai, Japan, November 8, 2018.
    • Related Report
      2018 Annual Research Report
    • Int'l Joint Research / Invited
  • [Presentation] Theoretical estimation of Dielectric Constant of Electroactive Polymers2018

    • Author(s)
      Ai Suzuki, M. Miyano, Ryuji Miura
    • Organizer
      The 14th International Conference on Flow Dynamics (ICFD2018), Sendai, Japan, November 8, 2018.
    • Related Report
      2018 Annual Research Report
  • [Presentation] ナノ粒子含有ナトリム液体と 純ナトリウム液体の ナトリウム-水蒸気反応の比較2017

    • Author(s)
      鈴木 愛, Patrick Bonnaud, 宮野 正之, 畑 北斗, 三浦 隆治, 斉藤 淳一, 荒 邦章
    • Organizer
      電気化学会
    • Place of Presentation
      首都大学南大沢キャンパス(東京都 南大沢市)
    • Year and Date
      2017-03-27
    • Related Report
      2016 Research-status Report
  • [Presentation] Quantum Chemical Evaluation of the Hydrogen Formation Process on the Pure Liquid Sodium and that with Containing Ti-Nanoparticles2017

    • Author(s)
      Ai Suzuki, Masayuki Miyano, Ryuji Miura, Jun-Ichi Saito, Kuniaki Ara
    • Organizer
      The 14th International Conference on Flow Dynamics (ICFD2017)
    • Related Report
      2017 Research-status Report
    • Int'l Joint Research
  • [Presentation] Multiscale Modeling of Electro-mechanical Coupling in Electroactive Polymers2017

    • Author(s)
      Ai Suzuki, Ryuji Miura, Nozomu Hatakeyama, Jean-Yves Caville, Gildas Diguet, Gael Sebald
    • Organizer
      The 14th International Conference on Flow Dynamics (ICFD2017)
    • Related Report
      2017 Research-status Report
    • Int'l Joint Research
  • [Presentation] Molecular Simulation Study for Nano-Car Molecule on Au Surface2017

    • Author(s)
      Kenji Inaba, Yukie Ishizawa, Ryuji Miura, Ai Suzuki, Naoto Miyamoto, Nozomu Hatakeyama, Akira Miyamoto
    • Organizer
      The 14th International Conference on Flow Dynamics (ICFD2017)
    • Related Report
      2017 Research-status Report
    • Int'l Joint Research
  • [Presentation] Development of the Molecular Simulation Program for Nano-Car2017

    • Author(s)
      Ryuji Miura, Yukie Ishizawa, Kenji Inaba, Ai Suzuki, Naoto Miyamoto, Nozomu Hatakeyama, Akira Miyamoto
    • Organizer
      The 14th International Conference on Flow Dynamics (ICFD2017)
    • Related Report
      2017 Research-status Report
    • Int'l Joint Research
  • [Presentation] Molecular Simulation Analysis for Adhesion Mechanisms Involved in Polyethylene Processed by Cold Spray2017

    • Author(s)
      Yukie Ishizawa, Kenji Inaba, Ryuji Miura, Ai Suzuki, Naoto Miyamoto, Nozomu Hatakeyama, Akira Miyamoto, Kazuhiro, Ogawa, Chrystelle Bernard, Jean-Yves Cavaille, Olivier Lame, Kesavan Ravi
    • Organizer
      The 14th International Conference on Flow Dynamics (ICFD2017)
    • Related Report
      2017 Research-status Report
    • Int'l Joint Research
  • [Presentation] Molecular simulations of water adsorption in nano porous silica: application of the BET model2016

    • Author(s)
      Patrick Bonnaud
    • Organizer
      第30回 日本吸着学会研究発表会プログラム
    • Place of Presentation
      長崎大学 文教キャンパス(長崎県 長崎市)
    • Year and Date
      2016-11-10
    • Related Report
      2016 Research-status Report

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Published: 2016-04-21   Modified: 2020-03-30  

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