ORCID
- Li, Long-yuan: 0000-0002-5982-0965
Abstract
Microcapsule-based self-healing concrete can effectively repair micro-cracks in concrete and improve the strength and durability of concrete structures. In this paper, in order to study the effect of epoxy resin on the cement matrix at a microscopic level, molecular dynamics were used to simulate the mechanical and interfacial properties of microcapsule-based self-healing concrete in which uniaxial tension was carried out along the z-axis. The radial distribution function, interface binding energy, and hydrogen bonding of the composite were investigated. The results show that the epoxy resin/C-S-H composite has the maximum stress strength when TEPA is used as the curing agent. Furthermore, the interface binding energy between epoxy resin and cement matrix increases with increasing strain before the stress reaches its peak value. The cured epoxy resin can enhance both the interfacial adhesion and the ductility of the composite, which can meet the needs of crack repair of microcapsule-based self-healing cementitious materials.
DOI
10.3390/polym14030611
Publication Date
2022-02-04
Publication Title
Polymers
Volume
14
Issue
3
Embargo Period
2022-02-26
Organisational Unit
School of Engineering, Computing and Mathematics
Recommended Citation
Wang, X., Xie, W., Li, L., Zhu, J., & Xing, F. (2022) 'Molecular Simulation Study on Mechanical Properties of Microcapsule-Based Self-Healing Cementitious Materials', Polymers, 14(3). Available at: https://doi.org/10.3390/polym14030611
