4.6 Article

Controlling the Structural Robustness of Zirconium-Based Metal Organic Frameworks for Efficient Adsorption on Tetracycline Antibiotics

Journal

WATER
Volume 13, Issue 13, Pages -

Publisher

MDPI
DOI: 10.3390/w13131869

Keywords

density functional theory calculations; structural robustness; tetracycline; zirconium-based metal organic frameworks; NH2 functional group

Funding

  1. National R&D Program through the National Research Foundation of Korea (NRF) - Ministry of Science and ICT [NRF-2020M3H4A3106366]
  2. Ministry of Education [NRF-2020R1I1A1A01073779]
  3. National Research Foundation of Korea [2020M3H4A3106366] Funding Source: Korea Institute of Science & Technology Information (KISTI), National Science & Technology Information Service (NTIS)

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The research found that the maximum adsorption capacities of UiO-66 and UIO-66-NH2 were 93.6 and 76.5 mg/g, respectively, with the TC adsorption capacity of UiO-66-NH2 being lower than that of UiO-66. Density functional theory calculations revealed that the -NH2 functional group could weaken the structural robustness of UiO-66-NH2, causing a reduction in TC adsorption capacity.
Tetracyclines (TCs) are the most widely used antibiotics for the prevention and treatment of livestock diseases, but they are toxic to humans and have frequently been detected in water bodies. In this study, the physical and chemical properties of the zirconium-based metal organic framework (MOF) UiO-66 and its NH2-functionalized congener UiO-66-NH2 were investigated along with batch TC adsorption tests to determine the effect of functionalization on TC removal. TC removal was highest at pH 3 and decreased with increasing pH. Pseudo-1st and pseudo-2nd-order kinetic models were used to study the adsorption equilibrium times, and Langmuir isotherm model was found to be more suitable than Freundlich model. The maximum uptake for UiO-66 and UIO-66-NH2 was measured to be 93.6 and 76.5 mg/g, respectively. Unexpectedly, the TC adsorption capacity of UiO-66-NH2 was observed to be lower than that of UiO-66. Density functional theory calculations revealed that the pore structures are irrelevant to TC adsorption, and that the -NH2 functional group could weaken the structural robustness of UiO-66-NH2, causing a reduction in TC adsorption capacity. Accordingly, robust MOFs with zirconium-based metal clusters can be effectively applied for the treatment of antibiotics such as TC in water.

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