过硫酸盐
催化作用
化学
电子顺磁共振
双酚A
羟基化
金属有机骨架
激进的
密度泛函理论
光化学
降级(电信)
双酚
有机化学
物理化学
计算化学
环氧树脂
酶
计算机科学
吸附
物理
电信
核磁共振
作者
Zhen Liu,Ruidian Su,Xun Sun,Weizhi Zhou,Baoyu Gao,Qinyan Yue,Qian Li
标识
DOI:10.1016/j.scitotenv.2020.140464
摘要
In this study, two iron-based metal-organic framework compounds (MOFs), were used and compared as catalysts for persulfate (PS) activation to degrade bisphenol F (BPF). The outstanding advantage of using amino-functionalized MOFs in the catalytic system was verified under different reaction conditions, and the mechanism was explored. The results indicated that NH2-MIL-101(Fe)/PS system not only had a wide pH application range, but also possessed an excellent catalytic performance towards interference from the coexisting anions and humic acid. Density functional theory (DFT) calculations showed that, compared with MIL-101(Fe), the -NH2 modification could significantly improve the electronic conductivity of NH2-MIL-101(Fe) by enhancing its Fermi level (-4.28 eV) and binding energy to PS (-1.19 eV). The free radical quenching experiments were combined with electron paramagnetic resonance (EPR) confirmed that free radicals (SO4-, OH, O2-) worked together with the non-radical (1O2) reaction to remove 91% BPF within 40 min in the NH2-MIL-101(Fe)/PS system. The two proposed BPF degradation pathway were related to hydroxylation, oxidation and ring cracking. The toxicity of the BPF degradation intermediates as well as its final products were also evaluated.
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