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Transformation of Polycyclic Aromatic Hydrocarbons and Formation of Environmentally Persistent Free Radicals on Modified Montmorillonite: The Role of Surface Metal Ions and Polycyclic Aromatic Hydrocarbon Molecular Properties
Jia, HZ (Jia, Hanzhong); Zhao, S (Zhao, Song); Shi, YF (Shi, Yafang); Zhu, LY (Zhu, Lingyan); Wang, CY (Wang, Chuanyi); Sharma, VK (Sharma, Virender K.)
2018
Source PublicationENVIRONMENTAL SCIENCE & TECHNOLOGY
ISSN0013-936X
Volume52Issue:10Pages:5725-5733
Abstract

This paper presents the transformation of PAHs (phenanthrene, anthracene, benzo[a]anthracene, pyrene, and benzo[a]pyrene) on montmorillonite clays that are modified by transition-metal ions [Fe(III), Cu(II), Ni(II), Co(II), or Zn(II)] at room temperature (similar to 23 degrees C). The decay of these PAHs follows first-order kinetics, and the dependence of the observed rate constants (k(obs), day(-1)) on the presence of metal ions follows the order Fe(III) > Cu(II) > Ni(II) > Co(II) > Zn(II). The values of k(obs) show reasonable linear relationships with the oxidation potentials of the PAHs and the redox potentials of the metal ions. Notably, transformation of these PAHs results in the formation of environmentally persistent free radicals (EPFRs), which are of major concern due to their adverse effects on human health. The potential energy surface (PES) calculations using density functional theory were performed to understand the trends in kobs and the plausible mechanisms for radical formation from the PAHs on modified clays. The yields and stability of these EPFRs from anthracene and benzo[a]pyrene on clay surfaces varies with both the parent PAH and the metal ion. The results demonstrated the potential role of metals in the formation and fate of PAH-induced EPFR at co-contaminated sites.

DOI10.1021/acs.est.8b00425
Indexed BySCI
WOS IDWOS:000432417400024
Citation statistics
Cited Times:5[WOS]   [WOS Record]     [Related Records in WOS]
Document Type期刊论文
Identifierhttp://ir.xjipc.cas.cn/handle/365002/5402
Collection环境科学与技术研究室
Affiliation1.Northwest A&F Univ, Key Lab Plant Nutr & Agrienvironm Northwest China, Minist Agr, Coll Nat Resources & Environm, Yangling 712100, Shaanxi, Peoples R China
2.Chinese Acad Sci, Xinjiang Tech Inst Phys & Chem, Urumqi 830011, Peoples R China
3.Texas A&M Univ, Program Environm & Sustainabil, Dept Occupat & Environm Hlth, Sch Publ Hlth, College Stn, TX 77843 USA
Recommended Citation
GB/T 7714
Jia, HZ ,Zhao, S ,Shi, YF ,et al. Transformation of Polycyclic Aromatic Hydrocarbons and Formation of Environmentally Persistent Free Radicals on Modified Montmorillonite: The Role of Surface Metal Ions and Polycyclic Aromatic Hydrocarbon Molecular Properties[J]. ENVIRONMENTAL SCIENCE & TECHNOLOGY,2018,52(10):5725-5733.
APA Jia, HZ ,Zhao, S ,Shi, YF ,Zhu, LY ,Wang, CY ,&Sharma, VK .(2018).Transformation of Polycyclic Aromatic Hydrocarbons and Formation of Environmentally Persistent Free Radicals on Modified Montmorillonite: The Role of Surface Metal Ions and Polycyclic Aromatic Hydrocarbon Molecular Properties.ENVIRONMENTAL SCIENCE & TECHNOLOGY,52(10),5725-5733.
MLA Jia, HZ ,et al."Transformation of Polycyclic Aromatic Hydrocarbons and Formation of Environmentally Persistent Free Radicals on Modified Montmorillonite: The Role of Surface Metal Ions and Polycyclic Aromatic Hydrocarbon Molecular Properties".ENVIRONMENTAL SCIENCE & TECHNOLOGY 52.10(2018):5725-5733.
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