Examination on Permittivity Estimation of Hydrocarbon-based Thermosetting Resin based on Quantum Chemical Calculation

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  • 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
  • リョウシ カガク ケイサン オ モチイタ タンカスイソケイ ネツ コウカセイ ジュシ ノ ユウデンリツ スイテイ ノ ケントウ

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Abstract

<p>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.</p>

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