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Protonation and weakening of an epoxy resin–SiO2 composite with silane coupling agents under moist conditions.

Protonation and weakening of an epoxy resin–SiO2 composite with silane coupling agents under moist conditions.

Authors :
Ogata, Shuji
Uranagase, Masayuki
Takahashi, Yusuke
Kishi, Tomoya
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]

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