Integrating experimental and computational approaches for deep eutectic solvent-catalyzed glycolysis of post-consumer polyethylene terephthalate
Copyright © 2023 The Author(s). Published by Elsevier Ltd.. All rights reserved.
| Veröffentlicht in: | Waste management (New York, N.Y.). - 1999. - 174(2024) vom: 15. Feb., Seite 411-419 |
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| 1. Verfasser: | |
| Weitere Verfasser: | , , , , , , , |
| Format: | Online-Aufsatz |
| Sprache: | English |
| Veröffentlicht: |
2024
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| Zugriff auf das übergeordnete Werk: | Waste management (New York, N.Y.) |
| Schlagworte: | Journal Article Bis(2-hydroxyethyl) terephthalate Deep eutectic solvent Density functional theory Glycolysis Polyethylene terephthalate Random forest model Solvents Polyethylene Terephthalates Deep Eutectic Solvents |
| Zusammenfassung: | Copyright © 2023 The Author(s). Published by Elsevier Ltd.. All rights reserved. To achieve a sustainable and circular economy, developing effective plastic recycling methods is essential. Despite advances in the chemical recycling of plastic waste, modern industries require highly efficient and sustainable solutions to address environmental problems. In this study, we propose an efficient glycolysis strategy for post-consumer polyethylene terephthalate (PET) using deep eutectic solvents (DESs) to produce bis(2-hydroxyethyl) terephthalate (BHET) with high selectivity. Choline chloride (ChCl)- and urea-based DESs were synthesized using various metal salts and were tested for the glycolysis of PET waste; ChCl-Zn(OAc)2 exhibited the best performance. The DES-containing solvent system afforded a complete PET conversion, producing BHET at a high yield (91.6%) under optimal reaction conditions. The degradation mechanism of PET and its interaction with DESs were systematically investigated using density functional theory-based calculations. Furthermore, an intuitive machine learning model was developed to predict the PET conversion and BHET selectivity for different DES compositions. Our findings demonstrate that the DES-catalyzed glycolysis of post-consumer PET could enable the development of a sustainable chemical recycling process, providing insights to identify the new design of DESs for plastic decomposition |
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| Beschreibung: | Date Completed 16.01.2024 Date Revised 16.01.2024 published: Print-Electronic Citation Status MEDLINE |
| ISSN: | 1879-2456 |
| DOI: | 10.1016/j.wasman.2023.12.028 |