From addition reactions to cross-linked network formation

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

Research output: Chapter in Book/Report/Conference proceedingConference contribution

Abstract

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.

Original languageEnglish
Title of host publication33rd Technical Conference of the American Society for Composites 2018
PublisherDEStech Publications Inc.
Pages769-779
Number of pages11
ISBN (Electronic)9781510872073
Publication statusPublished - 2018 Jan 1
Event33rd Technical Conference of the American Society for Composites 2018 - Seattle, United States
Duration: 2018 Sep 242018 Sep 27

Publication series

Name33rd Technical Conference of the American Society for Composites 2018
Volume2

Other

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

ASJC Scopus subject areas

  • Mechanics of Materials
  • Surfaces, Coatings and Films
  • Metals and Alloys

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  • Cite this

    Li, J., Jumpei, S., Wizumi, H., Huang, Y., Kishimoto, N., Oya, Y., & Okabe, T. (2018). From addition reactions to cross-linked network formation. In 33rd Technical Conference of the American Society for Composites 2018 (pp. 769-779). (33rd Technical Conference of the American Society for Composites 2018; Vol. 2). DEStech Publications Inc..