期刊
JOURNAL OF HAZARDOUS MATERIALS
卷 423, 期 -, 页码 -出版社
ELSEVIER
DOI: 10.1016/j.jhazmat.2021.127192
关键词
Emerging contaminants; CS@PANI@ZnAl-LDH; Quantum chemical theory calculations; Adsorption mechanism
资金
- National Natural Science Foundation of China [52072180, 51872140]
A novel adsorbent, 3D hierarchical CS@PANI@ZnAl-LDH composite, was successfully fabricated and applied for naproxen removal from aqueous solutions, showing good adsorption performance and stability, providing a feasible approach for wastewater treatment.
In this work, a novel adsorbent, 3D hierarchical CS@PANI@ZnAl-LDH composite, has been successfully fabricated through the hydrothermal synthesis of the carbon sphere, oxidative polymerization of polyaniline, and in site growth of ZnAl-layered double hydroxides, simultaneously applied for the naproxen removal from aqueous solutions. The dynamics and isotherms fit better with the pseudo-second-order and Langmuir model, demonstrating the chemisorption, monolayer, and endothermic process. In addition, the high uptake capacities of CS@PANI@ZnAl-LDH for naproxen was 545.5 mg/g at 298 K when the pH was 5.0, outperforming most previously reported materials. Moreover, after five adsorption-desorption cycles, the spent CS@PANI@ZnAl-LDH maintains high removal efficiency and structural composition, revealing excellent recyclability and stability. Furthermore, Fourier transformed infrared spectroscopy (FT-IR), and X-ray photoelectron spectroscopy (XPS) analyses indicate electrostatic interactions, 7C-7C interactions, and hydrogen bonding between CS@APNI@ZnAlLDH and naproxen. Quantitative analyses, Localized orbit locator (LOL)-7C isosurface, and Independent Gradient Model further verify the adsorption mechanisms mentioned above, indicating the synergistic effects between PANI and ZnAl-LDH improve the elimination ability for naproxen. Significantly, Hirshfeld surface analyses reveal that naproxen behaves as the H-bond acceptor, and the ZnAl-LDH acts as the H-bond donor. This work provided a feasible way to design purification materials for wastewater treatment.
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