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Abstract
Surface modification stands out as a promising solution for augmenting interface bonding of cement-based materials incorporating recycled plastic waste as a substitution for natural aggregates. In this work, plasma treatment was employed for surface modification, and the compressive strength of fabricated mortar with plasma-treated PET particles was improved by approximately 9% after a 28-day curing. Atomistic simulations of pull-out behavior for hybrid PET/C–S–H models have revealed that functional groups introduced on the PET surface can mainly influence PET viscoelasticity during interface failure. Hydroxyl groups primarily increase force for interface failure, whereas carboxyl and formyl groups bolster energy dissipation by rendering PET more resistant to plastic deformation. Especially, the carboxyl group exhibits the most pronounced enhancement effect, characterized by a low strain softening coefficient but a high hardening coefficient. The estimated quantitative impact of functional group types from our multiscale analysis provides a foundation for optimizing parameters in PET surface modification. © 2024 Elsevier Ltd.
| Original language | English |
|---|---|
| Article number | 105529 |
| Journal | Cement and Concrete Composites |
| Volume | 149 |
| Online published | 4 Apr 2024 |
| DOIs | |
| Publication status | Published - May 2024 |
Funding
This work was supported by grants from the Research Grants Council of the Hong Kong Special Administrative Region, China (Project No. CityU 11213022), the Natural Science Foundation of Hubei Province (Project No. 2021CFB137), and the Fundamental Research Funds for the Central Universities (Project No. 2042022kf1018). The numerical calculations in this paper have been done on the supercomputing system in the Supercomputing Center of Wuhan University.
Research Keywords
- Cementitious composites with recycled plastics
- Computational modelling
- Interface
- Mechanical properties
- Surface treatments
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GRF: Artificial Intelligence (AI) Assisted Reactive Molecular Dynamics (MD) Simulations of Cement Hydration
LAU, D. (Principal Investigator / Project Coordinator)
1/01/23 → …
Project: Research