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Stretched amine-cured epoxy resins fail in wet conditions due to amine group protonation. This study confirms that stretching increases protonation, explaining cohesive failure in these common adhesives.

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Area of Science:

  • Materials Science
  • Physical Chemistry
  • Adhesive Bonding

Background:

  • Cohesive failure in stretched adhesives under wet conditions is a significant challenge.
  • Amine-cured epoxy resins are widely used adhesives.
  • Previous work suggested protonation of amine groups contributes to failure.

Purpose of the Study:

  • To investigate the degree of amine group protonation in epoxy resins under stretched and compressed conditions.
  • To develop a first-principles calculation method for strained materials.
  • To elucidate the physicochemical cause of cohesive failure in stretched amine-cured epoxy resins.

Main Methods:

  • Developed a first-principles protonation calculation method for strained materials.
  • Calculated the degree of protonation of amine groups in epoxy resins under varying mechanical stress (stretching and compression).
  • Simulated conditions in neutral water at 298 K.

Main Results:

  • The amine group in epoxy resins is partially protonated in neutral water at 298 K.
  • Increased stretching of the epoxy resin in water leads to greater amine group protonation.
  • Compression of the epoxy resin in water reduces amine group protonation.

Conclusions:

  • The findings support the hypothesis that amine group protonation is the physicochemical cause of cohesive failure in stretched amine-cured epoxy resins.
  • Mechanical stress significantly influences the protonation state of amine groups in these adhesives.
  • This study provides a deeper understanding of adhesive failure mechanisms.