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了解戈伊在硬氧化溶解和转化中的作用:光谱和DFT研究

Yanchao Jin¹, Yuchen Qiu², Rohit Kumar³

¹College of Environmental and Resource Sciences, Fujian Normal University, Fuzhou 350117, Fujian, China; Fujian Key Laboratory of Pollution Control & Resource Reuse, Fuzhou 350117, China.

The Science of the total environment

|October 16, 2023

概括

铁矿物质,如石,显著加快了水生系统中的 (Sb) 溶解和 (Sb) 封存. 在石上产生的超氧化基是关键氧化剂,影响Sbb.

科学领域:

环境地质化学环境地质化学
矿物表面化学矿物表面化学
水生化学水生化学

背景情况:

在水生环境中, (Sb) 的地化学循环在很大程度上是由 (Sb₂S₃) 溶解和转化控制的.
铁矿物质在水生系统中普遍存在,并且可以影响像这样的重金属的命运.
了解Sb₂S₃与铁矿物的相互作用对于预测其环境行为至关重要.

研究的目的:

为了研究氧化溶解和封存的stibnite (Sb₂S₃) 在goethite.
为了阐明控制Sb₂S₃在铁矿物质存在中的转化机制.
评估石在水生系统中的反流动性和命运中的作用.

主要方法:

在阳光下对Sb₂S₃氧化溶解和封存在光上的实验调查.
进行X射线吸收近边缘结构 (XANES) 分析,以确定Sb的特异化和电子转移.
激素捕捉实验以确定主导氧化剂.
密度函数理论 (DFT) 计算用于热力学和结构分析.

主要成果:

在阳光下,由异质电子转移驱动的Goethite加速了Sb₂S₃氧化溶解的9.4倍.
在石上产生的超氧化基 (O₂^-) 是Sb(III的主导氧化剂 (91%的贡献).
溶解的Sb下降了69%,这是由于对戈伊的结合,它将Sb (III) 结合为双酸二核结构.

结论:

戈伊在加速Sb₂S₃氧化溶解和通过O₂^-生成隔离溶解的Sb方面发挥着至关重要的作用.
在Sb₂S₃和石之间异质的电子转移有助于Sb氧化和激素形成.
研究结果提供了关于天然环境中的地化学循环的见解,特别是关于矿与铁矿物的相互作用.

关键词:

它们是反的.环境的命运环境的命运界面反应界面反应矿泉水接口矿泉水接口激进分子激进分子

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