A multiscale model for the synthesis of thermosetting resins: From the addition reaction to cross-linked network formation

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

Chemical Physics Letters（2019）

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摘要

•A multi-scale model simulated the influence of conditions on thermosetting resins.•We simulated the effect on the structure and physical properties.•We focused on the synthesis of the phenol formaldehyde resin.•The comprehensive reaction model included the addition and condensation reactions.•The effectiveness of the reported model was validated.

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关键词

Thermosetting resin,Multiscale model,Polymerization,Cross-linked network,Molecular dynamics

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