Major influence of hydroxyl and nitrate radicals on air pollution by environmentally persistent free radicals

Major influence of hydroxyl and nitrate radicals on air pollution by environmentally persistent free radicals
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羟基和硝酸根对环境持久性自由基造成的空气污染的主要影响

DOI:
10.1007/s10311-021-01278-9
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发表时间:
2021-07
影响因子:
15.7
通讯作者:
Zhang Aiqian
Zhang Aiqian
中科院分区:
环境科学与生态学1区
文献类型:
--
作者:
Pan Wenxiao;Chang Jiamin;He Shuming;Xue Qiao;Liu Xian;Fu Jianjie;Zhang Aiqian

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Environmentally persistent free radicals are pollutants recently detected in most environmental matrices such as fly ash, aerosols, soils and sediments. Their generation and transformation is poorly known, notably in the atmopshere. Here we modeled the effect of dioxygen O2, hydroxyl radical•OH, and nitrate radical NO3on Cu(II)O surface-bound phenoxyl radical, using quantum chemical calculations and kinetics analysis. Results show that additional stabilization of the surface-bound phenoxyl radical is provided by the metal-oxide surface, implying that self-decomposition is not likely to occur. The addition reactions of hydroxyl and nitrate radicals with surface-mediated radicals are both thermodynamically and kinetically favorable, whereas the role of O2appears negligible. The tropospheric lifetime of the Cu(II)O-based surface-bound phenoxyl radical is only few seconds to about one hour, in agreement with experimental observations from the literature.
DOI: 10.1021/es301136d
发表时间: 2012-09-04
影响因子: 11.4
作者:
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发表时间: 2012-11
期刊: ChemInform
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发表时间: 1996-05-30
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