کد مقاله | کد نشریه | سال انتشار | مقاله انگلیسی | نسخه تمام متن |
---|---|---|---|---|
4979437 | 1453030 | 2017 | 38 صفحه PDF | دانلود رایگان |
عنوان انگلیسی مقاله ISI
Mechanochemical mechanism of rapid dechlorination of hexachlorobenzene
ترجمه فارسی عنوان
مکانیزم مکانیکی شیمیایی سریع دهلیزینگ هگزاکلروبنزن
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کلمات کلیدی
موضوعات مرتبط
مهندسی و علوم پایه
مهندسی شیمی
بهداشت و امنیت شیمی
چکیده انگلیسی
Recent researches indicate that mechanochemical treatment (MCT) is a promising method to degrade the environmental hazards, especially in the area of persistent organic pollutants (POPs) disposal. However, the mechanochemical dechlorination mechanism of POPs still needs to be further verified. In this mechanochemical process, hexachlorobenzene (HCB) was chosen as a model pollutant with aluminum and alumina (Al + Al2O3) powders as the co-milling regents. Both of the intermediate analysis and quantum chemical calculations were adopted to elucidate the free radical dechlorination mechanism of HCB. The solid residues were characterized by electron spin-resonance (ESR) spectroscopy, Fourier transform infrared (FTIR) spectra and X-ray photoelectron (XPS) spectra, which proposed that the radicals formed in the mechanochemical process were chlorinated phenoxyl radicals (CB-O). Four quantum chemical descriptors were selected in predicting the intermediates and reaction pathway: (i) atomic charge, (ii) electrostatic potential (ESP), (iii) frontier molecular orbitals (FMO) theory and (iv) dual descriptor. Then, a stepwise dechlorination mechanism based on CB-O was proposed. It was found that the intermediates and radical-related reactions in the mechanochemical dechlorination of HCB are quite different from that happen in a typical photocatalytic dechlorination process. Impacts of different radical reactions on the dechlorination of HCB were also compared at last.
ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Journal of Hazardous Materials - Volume 333, 5 July 2017, Pages 116-127
Journal: Journal of Hazardous Materials - Volume 333, 5 July 2017, Pages 116-127
نویسندگان
Shanshan Deng, Shaoguo Kang, Nannan Feng, Jianxin Zhu, Bo Yu, Xiaofeng Xie, Jing Chen,