Reaction condition optimization and degradation pathway in wet oxidation of benzopyrazole revealed by computational and experimental approaches | |
Xie, Yongbing1; Zhou, Linbi1,2; Cao, Hongbin1,2; Liu, Chenming1; Han, Qingzhen1; Hao, Weiwei3 | |
刊名 | JOURNAL OF HAZARDOUS MATERIALS
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2018-06-05 | |
卷号 | 351页码:169-176 |
关键词 | Wet Oxidation Benzopyrazole Toxicity Reaction Pathway Quantum Chemical Calculation |
ISSN号 | 0304-3894 |
DOI | 10.1016/j.jhazmat.2018.02.042 |
文献子类 | Article |
英文摘要 | The nitrogen heterocyclic compounds (NHCs) are very toxic and widely used in many industries, while the treatment of NHCs in wastewater has not attracted enough concern till now. Here we studied the complete degradation of a typical NHCs, benzopyrazole (BP), in wet oxidation. The effects of different operation parameters, such as stirring speed, temperature, reaction time and initial pH, on BP degradation and chemical oxygen demand (COD) removal were studied. BP was totally degraded and the COD removal efficiency achieved 76.7%, after 120 min reaction at 220 degrees C with initial pH 6.5. Meanwhile, 81.7% of the nitrogen from BP was removed from the solution. The toxicity of the BP solution was reduced by 95.2% after wet oxidation at 240 degrees C for 180 min. The influences of coexisted NO3-, CO32-, SO42- and PO43- ions were also investigated. With quantum chemical calculation and intermediates analysis by electrospray ionization mass spectrometry, a very detailed degradation pathway of BP in wet oxidation was proposed. |
WOS关键词 | Air Oxidation ; Reaction-mechanisms ; Phenol ; Kinetics ; Water ; Acid ; Parameters ; Ozonation ; Azaarenes ; Hydroxyl |
WOS研究方向 | Engineering ; Environmental Sciences & Ecology |
语种 | 英语 |
WOS记录号 | WOS:000430777500019 |
资助机构 | Chinese Academy of Sciences(ZDRW-ZS-2016-5-3) ; National Science Fund for Distinguished Young Scholars of China(51425405) ; Beijing Natural Science Foundation(8172043) |
内容类型 | 期刊论文 |
源URL | [http://ir.ipe.ac.cn/handle/122111/24420] ![]() |
专题 | 过程工程研究所_湿法冶金清洁生产技术国家工程实验室 |
作者单位 | 1.Chinese Acad Sci, Inst Proc Engn, Div Environm Engn & Technol, Beijing 100190, Peoples R China 2.Tianjin Univ, Sch Chem Engn & Technol, Tianjin 300072, Peoples R China 3.China Natl Petr Corp Drilling Res Inst, Beijing 100083, Peoples R China |
推荐引用方式 GB/T 7714 | Xie, Yongbing,Zhou, Linbi,Cao, Hongbin,et al. Reaction condition optimization and degradation pathway in wet oxidation of benzopyrazole revealed by computational and experimental approaches[J]. JOURNAL OF HAZARDOUS MATERIALS,2018,351:169-176. |
APA | Xie, Yongbing,Zhou, Linbi,Cao, Hongbin,Liu, Chenming,Han, Qingzhen,&Hao, Weiwei.(2018).Reaction condition optimization and degradation pathway in wet oxidation of benzopyrazole revealed by computational and experimental approaches.JOURNAL OF HAZARDOUS MATERIALS,351,169-176. |
MLA | Xie, Yongbing,et al."Reaction condition optimization and degradation pathway in wet oxidation of benzopyrazole revealed by computational and experimental approaches".JOURNAL OF HAZARDOUS MATERIALS 351(2018):169-176. |
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