化学
吸附
溶解有机碳
蒙脱石
环境化学
有机质
化学工程
无定形固体
水生生态系统
矿物
粘土矿物
污染物
密度泛函理论
分子间力
腐植酸
分子
有机化学
矿物学
计算化学
肥料
工程类
作者
Menghan Yu,Liang Feng,Yicheng Hua,Aidong Tang,Huaming Yang
出处
期刊:Inorganic Chemistry
[American Chemical Society]
日期:2023-08-02
卷期号:62 (32): 13130-13139
被引量:1
标识
DOI:10.1021/acs.inorgchem.3c02093
摘要
In recent decades, the concentration of dissolved organic matter (DOM) in aquatic ecosystems has gradually increased, leading to water pollution problems. Understanding the interfacial chemical processes of DOM on natural minerals is important to the exploration of high-efficiency absorbents. However, studying DOM chemical processes and adsorption mechanisms are still challenging due to the complex DOM structure and environmental system. Hence, we characterized the microstructure changes after the formation of amorphous calcium phosphate (ACP) at the interface of montmorillonite (Mt) minerals in a simulated environment system. Combined with atomic force microscopy and density functional theory (DFT) simulation, the mechanism of interfacial interaction between Mt-ACP and DOM was characterized at the molecular level. Moreover, we further evaluated the adsorption behavior of Mt-ACP as a potential adsorbent for organic matter. The comprehensive investigation of humic acid adsorption, intermolecular force, and DFT simulation is conducive to our understanding of the interfacial interaction mechanism between organic matter and noncrystalline minerals in aquatic environments and provides new perspectives on the application of clay-based mineral materials in pollutant removal under exposure from DOM.
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