Mechanistic Insights into Mixed-Solvent-Induced Swelling of Amine-Cured Epoxy Networks: A Combined MD and DFT Study

Key Points

• This research aims to understand how mixed solvent conditions affect the swelling and degradation of amine-cured epoxy networks.
• Conducted molecular dynamics (MD) simulations to observe solvent effects on epoxy swelling.
• Utilized density functional theory (DFT) to analyze molecular interactions within the epoxy network.
• Examined different solvent combinations to identify their impact on network performance.
• Mixed solvent conditions increased the swelling of epoxy networks.
• Solvent pretreatment enhanced the degradation efficiency of the polymers.
• The study identified specific solvent-polymer interactions that facilitate network breakdown.