First-Principles Calculations of the Protonation and Weakening of Epoxy Resin under Wet Conditions
Shūji Ogata, Masayuki Uranagase, Y. Takahashi, Tomoya Kishi
Abstract
O dissociation and that the transition-state energy for breaking the amine group bond is lowered by about 0.4 eV after the protonation of the amine group. Comparing the transition-state energies, we predict that the bond breakage of the protonated amine groups is the principal process causing the weakening of epoxy resins under wet conditions.
Topics & Concepts
ProtonationEpoxyAmine gas treatingChemistryDeprotonationBond-dissociation energyDissociation (chemistry)Polymer chemistryComputational chemistryPhotochemistryOrganic chemistryIonEpoxy Resin Curing ProcessesFiber-reinforced polymer compositesPhotopolymerization techniques and applications