A Quantum Mechanical Study on the Formation of PCDD/Fs from 2-Chlorophenol as Precursor

The most direct route to the formation of polychlorinated dibenzo-p-dioxins and dibenzofurans (PCDD/Fs) in combustion and thermal processes is the gas-phase reaction of chemical precursors such as chlorinated phenols. Detailed insight into the mechanism and kinetics properties is a prerequisite for...

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Veröffentlicht in:	Environmental science & technology 2008-10, Vol.42 (19), p.7301-7308
Hauptverfasser:	Zhang, Qingzhu, Li, Shanqing, Qu, Xiaohui, Shi, Xiangyan, Wang, Wenxing
Format:	Artikel
Sprache:	eng
Schlagworte:	Applied sciences Benzofurans - chemical synthesis Benzofurans - chemistry Chemical reactions Chlorophenols - chemistry Dimerization Dioxins Environmental Modeling Exact sciences and technology Kinetics Molecular physics Pollution Polychlorinated Dibenzodioxins - analogs & derivatives Polychlorinated Dibenzodioxins - chemical synthesis Polychlorinated Dibenzodioxins - chemistry Quantum physics Quantum Theory Reaction kinetics Studies Temperature
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