Molecular Dynamics Simulation and Quantum Chemical Calculations of Surfactant Having Suppression Effect on Water Trees

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カテゴリ: 論文誌(論文単位)グループ名: 【A】基礎・材料・共通部門発行日: 2019/02/01タイトル(英語): Molecular Dynamics Simulation and Quantum Chemical Calculations of Surfactant Having Suppression Effect on Water Trees著者 名: Hiroaki Uehara (Kanto Gakuin University), Shinya Iwata (Osaka Research Institute of Industrial Science and Technology), Yasuo Sekii (Sekii PE Laboratory), Tatsuo Takada (Tokyo City University), Yang Cao (University of Connecticut)著者名(英語): Hiroaki Uehara (Kanto Gakuin University), Shinya Iwata (Osaka Research Institute of Industrial Science and Technology), Yasuo Sekii (Sekii PE Laboratory), Tatsuo Takada (Tokyo City University), Yang Cao (University of Connecticut)キーワード: molecular dynamics simulation，quantum chemical calculation，polyethylene，surfactant，suppression effect，water tree要約(英語): Polyethylene (PE) is a hydrophobic polymeric insulating material. It has been found that adding hydrophilic additives can enhance the water tree resistance of PE. Such additives are most often surfactants that contain both hydrophobic and hydrophilic groups within their molecular structures. It is considered that a surfactant added to PE surrounds water molecules and stabilizes them. Hence, it is highly plausible that the solubilization of moisture in a supersaturated state leads to the suppression of water tree initiation in PE. In this study, we investigated the aggregation of water molecules and the orientation of surfactants toward water clusters by molecular dynamics (MD) simulation. In addition, quantum chemical calculations were performed to reveal the mechanism by which a surfactant suppresses water tree initiation. A comparison of the computational results with experiments suggests that the addition of a surfactant is extremely effective in suppressing bow-tie water trees.本誌: 電気学会論文誌A（基礎・材料・共通部門誌） Vol.139 No.2 （2019） 特集：2017 International Symposium on Electrical Insulating Materials本誌掲載ページ: 92-98 p原稿種別: 論文／英語電子版へのリンク: https://www.jstage.jst.go.jp/article/ieejfms/139/2/139_92/_article/-char/ja/ Show more