From addition reactions to cross-linked network formation

Jing Li, Sakamoto Jumpei, Hiroki Wizumi, Yue Huang, Naoki Kishimoto, Yutaka Oya, Tomonaga Okabe

研究成果: Conference contribution

抄録

An Atomic-level model that can analyze the influence of the synthesis conditions (Molar ration, catalyst et al.) on the mechanical properties of phenol formaldehyde (PF) resins has been developed. This model clarified the relationship between synthesis conditions, the structure formation, and the structure-depended mechanical properties by introducing a comprehensive reaction model that includes both addition and condensation reactions. We validated the effectiveness of the model by verifying the influence of primary synthetic index, molar ratio, on the mechanical properties such as glass transition temperature (Tg) of resol resins. The computing cost has also been reduced since we adopted a multi-scale model which combined the Quantum chemistry calculation (QM), Monte Carlo (MC), and Molecular Dynamics (MD) method. This model will be helpful to reduce the cost of attempts at synthetic PF resins and more efficiently to find the suitable synthesis conditions for the desired material properties.

本文言語English
ホスト出版物のタイトル33rd Technical Conference of the American Society for Composites 2018
出版社DEStech Publications Inc.
ページ769-779
ページ数11
ISBN(電子版)9781510872073
出版ステータスPublished - 2018
イベント33rd Technical Conference of the American Society for Composites 2018 - Seattle, United States
継続期間: 2018 9 242018 9 27

出版物シリーズ

名前33rd Technical Conference of the American Society for Composites 2018
2

Other

Other33rd Technical Conference of the American Society for Composites 2018
国/地域United States
CitySeattle
Period18/9/2418/9/27

ASJC Scopus subject areas

  • 材料力学
  • 表面、皮膜および薄膜
  • 金属および合金

フィンガープリント

「From addition reactions to cross-linked network formation」の研究トピックを掘り下げます。これらがまとまってユニークなフィンガープリントを構成します。

引用スタイル