Establishment of time-course flowability evaluation based on the design guide of metallic fluid containing the nano-particle possessing the deterrent capability against explosion
| Project/Area Number |
16K01280
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| Research Category |
Grant-in-Aid for Scientific Research (C)
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| Allocation Type | Multi-year Fund |
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| Section | 一般 |
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| Research Field |
Social systems engineering/Safety system
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| Research Institution | Tohoku University |
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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)
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| 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)
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| Research Collaborator |
Miura Ryuji
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| Project Period (FY) |
2016-04-01 – 2019-03-31
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| Project Status |
Completed (Fiscal Year 2018)
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| 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)
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| 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 |
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| 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.
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| 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.
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Report
(4 results)
Research Products
(26 results)
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[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
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Journal Title
Carbon
Volume: 129
Pages: 854-862
Related Report
Peer Reviewed
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[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
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Journal Title
Carbon
Volume: 129
Pages: 854-862
DOI
Related Report
Peer Reviewed / Open Access / Int'l Joint Research
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[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
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Journal Title
Fourteenth International Conference on Flow Dynamics Proceedings
Volume: -
Pages: 672-673
Related Report
Peer Reviewed
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[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
Int'l Joint Research
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