Analysis of Water Tree Suppressing Effect of Surfactant by Quantum Chemical Calculation and Molecular Dynamics Simulation
| Project/Area Number |
18K05244
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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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| Review Section |
Basic Section 35020:Polymer materials-related
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| Research Institution | Kanto Gakuin University |
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Principal Investigator |
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| Co-Investigator(Kenkyū-buntansha) |
岡本 達希 関東学院大学, 工学総合研究所, 研究員 (00371550)
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| Project Period (FY) |
2018-04-01 – 2021-03-31
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| Project Status |
Completed (Fiscal Year 2020)
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| Budget Amount *help |
¥3,510,000 (Direct Cost: ¥2,700,000、Indirect Cost: ¥810,000)
Fiscal Year 2020: ¥910,000 (Direct Cost: ¥700,000、Indirect Cost: ¥210,000)
Fiscal Year 2019: ¥910,000 (Direct Cost: ¥700,000、Indirect Cost: ¥210,000)
Fiscal Year 2018: ¥1,690,000 (Direct Cost: ¥1,300,000、Indirect Cost: ¥390,000)
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| Keywords | 分子動力学シミュレーション / 量子化学計算 / ポリエチレン / 界面活性剤 / 水クラスタ / 逆ミセル / 抑制効果 / 水トリー / 水クラスター / 水トリ― / 分子動力学 |
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| Outline of Final Research Achievements |
So far, it has been experimentally found that the addition of surfactants to polyethylene has an effect of suppressing water treeing. However, the mechanism of water tree suppression remained unclear. In this study, I considered the intermolecular interactions between polyethylene, surfactants, and water molecules, and analyzed them using molecular dynamics simulations and quantum chemical calculations. As a result, it was found that the water molecules aggregated to form water clusters, and the hydrophilic groups of the surfactant were oriented toward the water clusters to form reverse micelles. Moreover, I was able to prove at the molecular level that the surfactant surrounds and solubilizes the water molecules existing in the supersaturated state, and the solubilization of the water molecules suppresses the water tree.
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| Academic Significance and Societal Importance of the Research Achievements |
本研究成果の学術的意義としては、交流高電圧電力ケーブルの絶縁劣化・絶縁破壊の原因の三分の一を占めている水トリー劣化現象を抑制することに対して、本研究で添加した界面活性剤は極めて有効であることを分子動力学シミュレーションと量子化学計算を活用することで理論的に分子レベルで示すことができた。また、社会的意義としては、電力ケーブル、回転電機の絶縁部などの電気絶縁分野における高分子絶縁材料の特性向上や水トリー発生・進展メカニズムのさらなる解明に貢献することが考えられる。
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Report
(4 results)
Research Products
(13 results)
