量子化学計算を用いた炭化水素系熱硬化性樹脂の誘電率推定の検討

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: 2017/11/01

タイトル(英語): Examination on Permittivity Estimation of Hydrocarbon-based Thermosetting Resin based on Quantum Chemical Calculation

著者名: 渕　裕樹（九州工業大学），中迫　椋太（九州工業大学），小迫　雅裕（九州工業大学），匹田　政幸（九州工業大学），亀井　伸人（RIMTEC（株））

著者名(英語): Yuki Fuchi (Kyushu Institute of Technology), Ryota Nakasako (Kyushu Institute of Technology), Masahiro Kozako (Kyushu Institute of Technology), Masayuki Hikita (Kyushu Institute of Technology), Nobuhito Kamei (RIMTEC Corporation)

キーワード: 量子化学計算，密度汎関数法，誘電率，炭化水素系熱硬化性樹脂，ジシクロペンタジエン樹脂，トリシクロペンタジエン樹脂　　quantum chemical calculation，density functional theory，permittivity，hydrocarbon-based thermosetting resin，dicyclopentadiene resin，tricyclopentadiene resin

要約(英語): In recent years, understanding of the characteristic mechanism of electrical insulating materials using quantum chemical calculation has attracted increasing interest. Dielectric properties are one of the important properties in practical use of electrical insulating materials, but there is no precedent investigation for the dielectric properties using quantum chemical calculation. In this paper, the relative permittivity of dicyclopentadiene and tricyclopentadiene resin is estimated by mean of density functional theory and Clausius-Mossotti's, Onsager's or Kirkwood's equations. As a result, estimated values of the relative permittivity are in reasonable agreement with experimental ones. In addition, in order to investigate the dependency of estimated values on molecular modeling, the influence of the number of repeating units was examined. As a result, it was found that the estimated values is almost independent of the number of repeating units. In other words, the calculation model for the permittivity prediction may be sufficient for a small molecular chain as dealt with in this paper.

本誌: 電気学会論文誌A（基礎・材料・共通部門誌） Vol.137 No.11 （2017） 特集：電気電子絶縁材料システムシンポジウム

本誌掲載ページ: 626-631 p

原稿種別: 特集／日本語

電子版へのリンク: https://www.jstage.jst.go.jp/article/ieejfms/137/11/137_626/_article/-char/ja/