吸附
噻虫啉
化学
腐植酸
范德瓦尔斯力
密度泛函理论
氢键
化学工程
疏水效应
分配系数
环境化学
光化学
计算化学
有机化学
分子
农学
生物
肥料
噻虫嗪
益达胺
杀虫剂
工程类
作者
Ting Pan,Huan Liu,Mengyun Jiang,Jie Li,Weiyi Liu,Qingxin Jiao,Tingting Zhang
出处
期刊:Chemosphere
[Elsevier]
日期:2023-01-01
卷期号:311: 136938-136938
被引量:4
标识
DOI:10.1016/j.chemosphere.2022.136938
摘要
Dissolved organic matter regulates the interaction between microplastics (MPs) and organic pollutants. Here, this paper investigated the effect and mechanism of humic acid (HA) on the adsorption behavior of thiacloprid at two microfibers (MFs)/water interface, and compared the differences in the performance of MFs and pure MPs. The results showed that 10 mg L−1 HA decreased the adsorption capacity and the partition coefficient KD of thiacloprid on MFs and pure MPs. Spectral analysis showed that HA could form hydrogen bonds and van der Waals forces with both MPs and thiacloprid, ultimately affecting the adsorption behavior of thiacloprid at MPs/water interface via competitive adsorption and bridging effect. Furthermore, two-dimensional correlation spectroscopy demonstrated that thiacloprid was preferentially adsorbed onto MPs compared with HA. Finally, density functional theory calculation demonstrated that phenolic-OH, –COOH, and alcoholic-OH played critical roles in competing adsorption and bridging effect. This study offers a theoretical foundation for a better comprehension of the adsorption behavior of organic pollutants at the MPs/water interface.
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