Water-Stable Nanoscale Zirconium-Based Metal–Organic Frameworks for the Effective Removal of Glyphosate from Aqueous Media

IF 4.3 3区化学 Q2 CHEMISTRY, MULTIDISCIPLINARY

ACS Omega Pub Date : 2018-07-12 DOI:10.1021/acsomega.8b00921

Asha Pankajakshan, Mekhola Sinha, Anupam Anand Ojha, Sukhendu Mandal*

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引用次数: 69

Abstract

Two water-stable zirconium-based metal–organic frameworks (MOFs) (NU-1000 and UiO-67) have been synthesized in various size scales (100–2000 nm) for the adsorptive removal of glyphosate from the aqueous media. Both NU-1000 and UiO-67 possess a three-dimensional structure; NU-1000 consists of triangular micropores and wide mesoporous channels (31 ?), whereas UiO-67 has cage-like pores [octahedral (16 ?) and tetrahedral (14 ?) cages]. NU-1000 comprises Zr₆(μ₃-O)₄(μ₃-OH)₄(H₂O)₄(OH)₄, and UiO-67 contains Zr₆O₄(OH)₄ as secondary building units. These units act as Lewis acid nodes and can interact with the Lewis base phosphate group of the glyphosate. The time taken for reaching equilibrium is found to be reduced considerably as the size of the MOF decreases. The smaller the particle size, the lesser is the diffusion barrier for the analyte, which enhances the interaction between Lewis acidic metal nodes and the Lewis basic center of the glyphosate molecule. NU-1000 was found to be better compared to UiO-67, both in terms of efficiency and reusability. This might be due to the larger pore diameters of the NU-1000. Theoretical calculations revealed that the interaction energy of glyphosate with the nodes of NU-1000 is higher (?37.63 KJ mol^–1) compared to UiO-67 (?17.37 KJ mol^–1), which might be the possible reason for the higher efficiency of NU-1000.

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水稳定纳米锆基金属-有机框架有效去除水介质中的草甘膦

制备了两种不同粒径(100 ~ 2000 nm)的锆基金属有机骨架(mof) (NU-1000和UiO-67)，用于吸附去除水中的草甘膦。NU-1000和UiO-67都具有三维结构;NU-1000由三角形微孔和宽介孔通道(31 ? ?)组成，而UiO-67具有笼状孔[八面体(16 ? ?)和四面体(14 ? ?)笼]。NU-1000含有Zr6(μ3-O)4(μ3-OH)4(H2O)4(OH)4, UiO-67含有Zr6O4(OH)4作为次级结构单元。这些单位作为刘易斯酸节点，可以与草甘膦的刘易斯碱磷酸基团相互作用。达到平衡所需要的时间被发现大大减少了MOF的尺寸减小。粒径越小，分析物的扩散势垒越小，增强了Lewis酸性金属节点与草甘膦分子Lewis碱中心之间的相互作用。在效率和可重用性方面，NU-1000被发现比UiO-67更好。这可能是由于NU-1000的孔径较大。理论计算表明，草甘膦与NU-1000节点的相互作用能(- 37.63 KJ mol-1)高于UiO-67 (- 17.37 KJ mol-1)，这可能是NU-1000效率较高的原因。

本文章由计算机程序翻译，如有差异，请以英文原文为准。

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来源期刊

ACS Omega Chemical Engineering-General Chemical Engineering

CiteScore

6.60

自引率

4.90%

发文量

3945

审稿时长

2.4 months

期刊介绍： ACS Omega is an open-access global publication for scientific articles that describe new findings in chemistry and interfacing areas of science, without any perceived evaluation of immediate impact.