Peroxymonosulfate Activation by Palladium(II) for Pollutants Degradation: A Study on Reaction Mechanism and Molecular Structural Characteristics

Bowen Yang, Qiang Ma, Jiming Hao and Xiaojie Sun ()
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Bowen Yang: Sichuan Provincial Engineering Research Center of City Solid Waste Energy and Buliding Materials Conversion & Utilization Technology, Chengdu University, Chengdu 610106, China
Qiang Ma: Sichuan Provincial Engineering Research Center of City Solid Waste Energy and Buliding Materials Conversion & Utilization Technology, Chengdu University, Chengdu 610106, China
Jiming Hao: State Key Joint Laboratory of Environment Simulation and Pollution Control, School of Environment, Tsinghua University, Beijing 100084, China
Xiaojie Sun: Guangxi Key Laboratory of Environmental Pollution Control Theory and Technology, Guilin University of Technology, Guilin 541004, China

IJERPH, 2022, vol. 19, issue 20, 1-10

Abstract: Compared with certain transition metals (e.g., iron, cobalt, and manganese), noble metals are less frequently applied in peroxymonosulfate (PMS)-based advanced oxidation processes (AOPs). Palladium (Pd), as one of noble metals, has been reported to possess the possibility of both radical mechanisms and electron transfer mechanisms in a heterogeneous Pd/PMS system, however, data are still sparse on the homogeneous Pd/PMS system. Therefore, this work aims to explore the homogeneous reactivity of PMS by Pd(II) ions from the aspects of reaction parameters, radical or non-radical oxidation mechanisms, and the relationship between pollutants’ degradation rate and their molecular descriptors based on both experimental data and density functional theory (DFT) calculation results. As a result, the reaction mechanism of Pd(II)/PMS followed a radical-driven oxidation process, where sulfate radicals (SO 4 •− ), rather than hydroxyl radicals (HO•), were the primary reactive oxidant species. BO x and E HOMO played significant roles in pollutant degradation during the Pd(II)/PMS system. It turned out that the bond’s stability and electron donation ability of the target compound was responsible for its degradation performance. This finding provides an insight into PMS activation by a noble metal, which has significant implications for scientific research and technical development.

Keywords: peroxymonosulfate (PMS); Pd(II); sulfate radical; BO x; E HOMO (search for similar items in EconPapers)
JEL-codes: I I1 I3 Q Q5 (search for similar items in EconPapers)
Date: 2022
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