The optimization, kinetics and mechanism of m-cresol degradation via catalytic wet peroxide oxidation with sludge-derived carbon catalyst

	The optimization, kinetics and mechanism of m-cresol degradation via catalytic wet peroxide oxidation with sludge-derived carbon catalyst
	Zhao, Ying 1; Wei, Huangzhao 1; Wang, Yamin 1,2; Sun, Chenglin 1; Sun, Wenjing 1,2
刊名	JOURNAL OF HAZARDOUS MATERIALS
	2017-03-15
卷号	326 页码:36-46
关键词	Sludge-derived carbon catalyst Catalytic wet peroxide oxidation Response surface methodology Kinetics Density functional theory
英文摘要	The sludge-derived carbon catalyst modified with 0 degrees C HNO3 solution was tested in catalytic wet peroxide oxidation of m-cresol (100 mg L-1) with systematical mathematical models and theoretical calculation for the first time. The reaction conditions were optimized by response surface methodology (RSM) as T=60 degrees C, initial pH = 3.0, C-0.H2O2(30%) = 1.20 g L-1 (lower than the stoichiometric amount of 1.80 g L-1) and C-cat = 0.80 g L-1, with 96% of m-cresol and 47% of TOC converted after 16 min and 120 min of reaction, respectively, and xi (mg TOC/g H2O2 fed) = 83.6 mg/g. The end time of the first kinetic period in m-cresol model was disclosed to be correlated with the fixed residue m-cresol concentration of about 33%. Furthermore, the kinetic constants in models of TOC and H2O2 exactly provide convincing proof of three-dimensional response surfaces analysis by RSM, which showed the influence of the interaction between organics and H2O2 on effective H2O2 utilization. The reaction intermediates over time were identified by gas chromatography-mass spectrometer based on kinetics analysis. Four degradation pathways for m-cresol were proposed, of which the possibility and feasibility were well proven by frontier molecule orbital theory and atomic charge distribution via density functional theory method. (C) 2016 Elsevier B.V. All rights reserved.
WOS标题词	Science & Technology ; Technology ; Life Sciences & Biomedicine
类目[WOS]	Engineering, Environmental ; Engineering, Civil ; Environmental Sciences
研究领域[WOS]	Engineering ; Environmental Sciences & Ecology
关键词[WOS]	FENTON OXIDATION ; AIR OXIDATION ; PHOTOCATALYTIC DEGRADATION ; PHENOLIC-COMPOUNDS ; WASTE-WATER ; ACTIVATED CARBONS ; P-CRESOL ; PERFORMANCE ; ACID
收录类别	SCI
语种	英语
WOS记录号	WOS:000392775400005
内容类型	期刊论文
源URL	[http://cas-ir.dicp.ac.cn/handle/321008/151897]
专题	大连化学物理研究所_中国科学院大连化学物理研究所
作者单位	1.Chinese Acad Sci, Dalian Inst Chem Phys, 457 Zhongshan Rd, Dalian 116023, Peoples R China 2.Univ Chinese Acad Sci, Beijing 100049, Peoples R China
推荐引用方式 GB/T 7714	Zhao, Ying,Wei, Huangzhao,Wang, Yamin,et al. The optimization, kinetics and mechanism of m-cresol degradation via catalytic wet peroxide oxidation with sludge-derived carbon catalyst[J]. JOURNAL OF HAZARDOUS MATERIALS,2017,326:36-46.
APA	Zhao, Ying,Wei, Huangzhao,Wang, Yamin,Sun, Chenglin,&Sun, Wenjing.(2017).The optimization, kinetics and mechanism of m-cresol degradation via catalytic wet peroxide oxidation with sludge-derived carbon catalyst.JOURNAL OF HAZARDOUS MATERIALS,326,36-46.
MLA	Zhao, Ying,et al."The optimization, kinetics and mechanism of m-cresol degradation via catalytic wet peroxide oxidation with sludge-derived carbon catalyst".JOURNAL OF HAZARDOUS MATERIALS 326(2017):36-46.