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Peroxymonosulfate Activation by Iron Sulfide Minerals for Degradation of Various Thiol Collectors in Mineral Processing Wastewater: Performance, Mechanism, and Structure–Activity Relationship
ACS ES&T Water ( IF 4.8 ) Pub Date : 2023-08-19 , DOI: 10.1021/acsestwater.3c00266 Meirong Wu 1 , Wei Sun 1 , Xiangsong Meng 1 , Jianhua Kang 1 , Yue Yang 1
ACS ES&T Water ( IF 4.8 ) Pub Date : 2023-08-19 , DOI: 10.1021/acsestwater.3c00266 Meirong Wu 1 , Wei Sun 1 , Xiangsong Meng 1 , Jianhua Kang 1 , Yue Yang 1
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The quantity of mineral processing wastewater (MPW) is large and contains residual thiol collectors, which easily cause environmental pollution. Herein, we systematically investigated the catalytic performances and underlying mechanisms of iron sulfide minerals (pyrite, marcasite, and pyrrhotite) for the activation of peroxymonosulfate (PMS) to treat MPW containing various thiol collectors (ethyl xanthate (EX), butyl xanthate (BX), diethyldithiocarbamate (DDTC)). Density functional theory (DFT) calculation results indicated that electron-rich Fe atoms in pyrite and marcasite acted as electron donors for PMS adsorption and cleavage, while pyrrhotite with electron-deficient Fe atoms has no PMS adsorption site. In particular, pyrite has stronger reactivity in comparison with marcasite due to more electron transfer and the lower thermodynamic and kinetic energy barrier of the reaction. Meanwhile, the efficient electron transfer of pyrite with strong F–S covalent bonds facilitated the regeneration of Fe(II), thus improving the catalytic performance. As a result, pyrite exhibited the highest total organic carbon (TOC) removal efficiency for real MPW, which was 1.12-fold and 1.63-fold of that on marcasite and pyrrhotite, respectively. This study highlights the structure–activity relationship of iron sulfide minerals and provides new insights into the PMS activation mechanism of sulfur-containing catalysts for MPW treatment.
中文翻译：
硫化铁矿物活化过一硫酸盐降解选矿废水中各种硫醇捕收剂：性能、机理和构效关系
选矿废水（MPW）量大且含有残留的硫醇捕收剂，易造成环境污染。在此，我们系统地研究了硫化铁矿物（黄铁矿、白铁矿和磁黄铁矿）用于活化过一硫酸盐（PMS）以处理含有各种硫醇捕收剂（乙基黄原酸（EX）、丁基黄原酸（BX））的MPW的催化性能和潜在机制。 ，二乙基二硫代氨基甲酸酯（DDTC））。密度泛函理论（DFT）计算结果表明，黄铁矿和白铁矿中富电子的Fe原子充当PMS吸附和解理的电子供体，而缺电子Fe原子的磁黄铁矿没有PMS吸附位点。特别是，由于更多的电子转移以及较低的反应热力学和动能势垒，黄铁矿与白铁矿相比具有更强的反应性。同时，具有强F-S共价键的黄铁矿的有效电子转移促进了Fe(II)的再生，从而提高了催化性能。结果表明，黄铁矿对真实 MPW 表现出最高的总有机碳 (TOC) 去除效率，分别是白铁矿和磁黄铁矿去除效率的 1.12 倍和 1.63 倍。这项研究强调了硫化铁矿物的构效关系，并为 MPW 处理含硫催化剂的 PMS 活化机制提供了新的见解。
更新日期：2023-08-19
中文翻译：
硫化铁矿物活化过一硫酸盐降解选矿废水中各种硫醇捕收剂：性能、机理和构效关系
选矿废水（MPW）量大且含有残留的硫醇捕收剂，易造成环境污染。在此，我们系统地研究了硫化铁矿物（黄铁矿、白铁矿和磁黄铁矿）用于活化过一硫酸盐（PMS）以处理含有各种硫醇捕收剂（乙基黄原酸（EX）、丁基黄原酸（BX））的MPW的催化性能和潜在机制。 ，二乙基二硫代氨基甲酸酯（DDTC））。密度泛函理论（DFT）计算结果表明，黄铁矿和白铁矿中富电子的Fe原子充当PMS吸附和解理的电子供体，而缺电子Fe原子的磁黄铁矿没有PMS吸附位点。特别是，由于更多的电子转移以及较低的反应热力学和动能势垒，黄铁矿与白铁矿相比具有更强的反应性。同时，具有强F-S共价键的黄铁矿的有效电子转移促进了Fe(II)的再生，从而提高了催化性能。结果表明，黄铁矿对真实 MPW 表现出最高的总有机碳 (TOC) 去除效率，分别是白铁矿和磁黄铁矿去除效率的 1.12 倍和 1.63 倍。这项研究强调了硫化铁矿物的构效关系，并为 MPW 处理含硫催化剂的 PMS 活化机制提供了新的见解。
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