降级(电信)
化学
吸附
反应速率常数
动力学
化学稳定性
环境化学
物理化学
有机化学
计算机科学
量子力学
电信
物理
作者
Hong Chen,Wei He,Yu-Jing Liang,Chenyi Yuan,Shuhui Zhang,Fei Liu,Yi Xiao
出处
期刊:Water Research
[Elsevier]
日期:2023-06-01
卷期号:238: 120014-120014
被引量:1
标识
DOI:10.1016/j.watres.2023.120014
摘要
The oxidation of the emerging nanomaterial black phosphorus (BP) affected by pH and oxygen has been carefully documented. However, in natural waters, there is a large amount of chemically reactive organic matters like fulvic acid (FA), whose impacts on degradation and stability of few-layer BP or BP nanosheets (BPNS) are scarcely disclosed. Hence, we investigated the kinetics of BPNS degradation products (H2PO2-, HPO32-, and PO43-) in the presence of FA. The results showed that the apparent reaction rate constants of BPNS were 0.026, 0.050, and 0.060 d-1 under oxygen-and-light condition and 0.005, 0.016, and 0.023 d-1 under hypoxia-and-darkness condition at FA gradients of 0, 2.5, and 5 mgC/L, respectively. Microscopic observations, simple molecular simulation experiment, and density functional theory computation explained that FA significantly enhanced the degradation of P atoms on the BPNS surface through the indirect pathway of reducing the energy barrier of O2 dissociative adsorption and the direct pathway of chemical adsorption, which caused the P-P bond on the BPNS surface to break down and formed P-O bonds or C-P bonds. This study revealed for the first time the degradation mechanism of BPNS in the presence of FA, which is a chemical mechanism of the BPNS transformation behavior. It helps to make a more scientific risk assessment of BP in natural waters.
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