首页|Atmospheric oxidation of dichlorodiphenyltrichloroethane (DDT) initiated by OH and NO3 radicals: A quantum chemical investigation

Atmospheric oxidation of dichlorodiphenyltrichloroethane (DDT) initiated by OH and NO3 radicals: A quantum chemical investigation

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To better understand the fate of dichlorodiphenyltrichloroethane (DDT) in the atmosphere, probing the oxidation mechanism of DDT is of great importance. The results showed that the degradation of DDT yields oxygenated DDT and nitrated DDT including phenolic compounds, dialdehyde, epoxides and nitrooxy-DDT. The rate constant for the reactions of DDT with OH and NO3 radicals are 1.16 x 10(-11) cm(3) molecule(-1) s(-1) and 2.19 x 10(-14) cm(3) molecule(-1) s(-1), respectively in the temperature of 298 K. The lifetime of DDT determined by the reactions with OH and NO3 radicals is 8.1 h.

DDTOH radicalsNO 3 radicalsOxidation mechanismRate constantsRATE CONSTANTSMETABOLITESMALARIATRENDS

Huo, Xinxi、Zhang, Qingzhu、Wang, Qiao、Sun, Fanghan、Wang, Shengming、Wang, Xiujun、Wei, Yuanyuan、Li, Lei、Wang, Wei、Zhang, Ruiming、Ding, Zhezheng、Dang, Juan、Xu, Fei、Wang, Wengxing

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Shandong Univ

Wuxi CAS Photon Co Ltd

2022

Chemical Physics Letters

Chemical Physics Letters

EISCI
ISSN:0009-2614
年,卷(期):2022.787
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