期刊
ENVIRONMENTAL SCIENCE AND POLLUTION RESEARCH
卷 28, 期 6, 页码 6886-6897出版社
SPRINGER HEIDELBERG
DOI: 10.1007/s11356-020-10975-x
关键词
Metal organic frameworks; Adsorption; Fluoride; MIL-53(Al); Density functional theory
资金
- Key R&D Program of Hunan Province [2018SK2026]
- National Key R&D Program of China [2018YFC1802204, 2016YFC0403003]
- National Natural Science Foundation of China [51634010]
MIL-53(Al)-NH2, designed with hierarchical hollow morphology, is an effective adsorbent for fluoride removal with a wide pH range. Experimental and theoretical calculations show that the material has good stability and regenerative capacity using alum as a regenerant. The dominant crystal face and adsorption sites in MIL-53(Al)-NH2 combined well with fluoride ions through density functional theory, offering a promising approach for designing hollow MOFs for contaminant adsorption in wastewater.
The MIL-53(Al)-NH2 was designed to remove fluoride with hierarchical hollow morphology. It was used as an adsorbent for fluoride removal at a wide pH range (1-12) due to the positive zeta potential of MIL-53(Al)-NH2. The pH did not significantly influence the fluoride adsorption into MIL-53(Al)-NH2. However, the adsorbent indicated good adsorption capacity with maximum adsorption of 1070.6 mg g(-1). Different adsorption kinetic and thermodynamic models were investigated for MIL-53(Al)NH2. The adsorption of fluoride into MIL-53(Al)-NH2 followed the pseudo-second-order model and a well-fitted Langmuir model indicating chemical and monolayer adsorption process. When mass transfer model was used at initial concentrations of 100 ppm and 1000 ppm, the rates of conversion were 8.4 x 10(-8) and 4.7 x 10(-8) m s(-1). Moreover, anions such as SO42-, PO43-, NO3-, Cl-, and Br- also had less effect on the adsorption of fluoride. Also, experimental and theoretical calculations on adsorption mechanism of MIL-53(Al)-NH2 revealed that the material had good stability and regenerative capacity using alum as regenerant. In a nutshell, the dominant crystal face (1 0 1) and adsorption sites Al, O, and N combined well with F-, HF, and HF2- through density functional theory. It opens a good way of designing hollow MOFs for adsorbing contaminants in wastewater.
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