期刊论文

Ai, Zhihui;Zhang, Lizhi

英文

Chemical Engineering Journal

1385-8947

2017

330

1075-1081

10.1016/j.cej.2017.08.048

National Key Research and Development Program of China [2016YFA0203000]; National Science Fund for Distinguished Young ScholarsNational Natural Science Foundation of China (NSFC)National Science Fund for Distinguished Young Scholars [21425728]; 111 ProjectMinistry of Education, China - 111 Project [B17019]; National Science Foundation of ChinaNational Natural Science Foundation of China (NSFC) [21477044]; CCNU from the Colleges' Basic Research and Operation of MOEMinistry of Education, Singapore [CCNU14Z01001, CCNU14KFY002, CCNU16A02029, CCNU16A04005]; CAS Interdisciplinary Innovation Team of the Chinese Academy of Sciences; Central China Normal University [2016YBZZ016]

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Regarding the abundant solar energy on the earth, photochemical method is the most attractive approach for the decomposition of atrazine pollutant which is widely existed in surface water. In this study, we report that the presence of sulfite can alter the photochemical atrazine degradation pathway to cleave its s-triazine ring. Density functional theory calculation results first suggested that a reductive process might be highly possible to break the s-triazine ring of atrazine by comparing the highest occupied molecular orbital-lowest unoccup...