Insight into the molecular mechanism of organic pollutants’ adsorption on magnetic ZIF-8 synthesized via a transformational route
This study presents the synthesis of Fe3O4@Zeolite Imidazolate Framework-8 (Fe3O4@ZIF-8), a novel magnetic core–shell adsorbent engineered for enhance adsorption of organic pollutants. The process begins with the formation of spherical magnetite aggregates (i.e., Fe3O4) via a solvothermal method, us...
| Autores: | , , , , , |
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| Tipo de recurso: | artículo |
| Estado: | Versión aceptada para publicación |
| Fecha de publicación: | 2025 |
| País: | España |
| Institución: | Consejo Superior de Investigaciones Científicas (CSIC) |
| Repositorio: | DIGITAL.CSIC. Repositorio Institucional del CSIC |
| OAI Identifier: | oai:digital.csic.es:10261/390080 |
| Acceso en línea: | http://hdl.handle.net/10261/390080 |
| Access Level: | acceso abierto |
| Palabra clave: | Magnetic MOFs Adsorption kinetics Monte Carlo simulations Crystal facets |
| Sumario: | This study presents the synthesis of Fe3O4@Zeolite Imidazolate Framework-8 (Fe3O4@ZIF-8), a novel magnetic core–shell adsorbent engineered for enhance adsorption of organic pollutants. The process begins with the formation of spherical magnetite aggregates (i.e., Fe3O4) via a solvothermal method, using polyacrylic acid for stabilization and capping. A ZIF-8 shell is then grown through a sol gel process followed by reaction with 2-methylimidazole, resulting in a crystalline shell approximately 60 nm thick. Characterization techniques, including energy dispersive X-ray analysis and X-ray diffraction, confirm the successful preparation of Fe3O4@ZIF-8. The adsorption capabilities were evaluated using methylene blue (MB) and diclofenac sodium (DCF) as model pollutants. Fe3O4@ZIF-8 demonstrated rapid removal efficiencies, with 98 % removal of MB (6.01 × 10-4 mg·g−1·min−1) and DCF (4.43 × 10-4 g·mg−1.min−1) within 15 and 30 min, respectively, significantly outperforming conventional activated carbon. Thermodynamic studies indicate that the adsorption processes are spontaneous; enthalpic changes drive MB adsorption, while DCF is influenced by entropic factors. Molecular modeling reveals preferential adsorption behaviors on different ZIF-8 facets, with stronger interactions for MB due to π-π stacking and hydrogen bonding. These findings underscore the potential of Fe3O4@ZIF-8 as an effective adsorbent for water purification, highlighting its substantial adsorption capacity (73.2 mg·g−1 for MB and 53.8 mg·g−1 for DCF), stability, and reusability. |
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