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Protonation and weakening of an epoxy resin–SiO2 composite with silane coupling agents under moist conditions.
- Source :
- MRS Communications; Jun2022, Vol. 12 Issue 3, p315-321, 7p
- Publication Year :
- 2022
-
Abstract
- We modeled the degradation of a composite produced from an amine-cured epoxy resin and SiO<subscript>2</subscript> nanoparticles with a silane coupling agent (SCA) under wet conditions using electron-level simulations. For the epoxy region, the amine group is protonated depending on its location under neutral or acidic conditions. Protonation substantially weakens the amine C–N bond. For SCA-connected HO–SiO<subscript>2</subscript>, terminal –OH of SiO<subscript>2</subscript> is deprotonated under neutral or alkaline conditions, and the energetic barrier to break the Si–O bond is < 1 eV when 50% of the terminal –OH is deprotonated. These findings support the experimental data on pH-dependent degradation. [ABSTRACT FROM AUTHOR]
- Subjects :
- SILANE coupling agents
PROTON transfer reactions
EPOXY resins
Subjects
Details
- Language :
- English
- ISSN :
- 21596859
- Volume :
- 12
- Issue :
- 3
- Database :
- Complementary Index
- Journal :
- MRS Communications
- Publication Type :
- Academic Journal
- Accession number :
- 157872860
- Full Text :
- https://doi.org/10.1557/s43579-022-00178-5