Thermodynamic consideration for the formation of polybrominated dibenzo-p-dioxins and furans

Etsuro Shibata, Xian Wei Li, Mariusz Grzegorz Grabda, Takashi Nakamura

研究成果: Conference contribution

抄録

Polybrominated dibenzo-p-dioxins and furans (PBDDs/PBDFs) and the mixed brominated/chlorinated congeners (PXDDs/PXDFs) are much less understood than their chlorinated analogues (PCDDs/PCDFs). In particular, there is very little experimental data on their physicochemical properties and formation behavior. The practical purpose of the study was to obtain a consistent set of thermodynamic values for PBDDs/PBDFs and PXDDs/PXDFs, and, using these values, to consider their formation behaviors in the flue gas from flame retardant combustion. Thus, for all known PBDDs/PBDFs and 339 PXDDs, we calculated various thermodynamic properties (heat capacity, entropy, enthalpy and Gibbs free energy of formation) in the gaseous state using density functional theory (DFT). Using their calculated free energies of formation, we then conducted a thermodynamic simulation of their formation in combustion flue gas.

本文言語English
ホスト出版物のタイトルREWAS'04 - Global Symposium on Recycling, Waste Treatment and Clean Technology - Proceedings
編集者I. Gaballah, B. Mishra, R. Solozabal, M. Tanaka
ページ2263-2273
ページ数11
出版ステータスPublished - 2005 12 1
外部発表はい
イベントREWAS'04 - Global Symposium on Recycling, Waste Treatment and Clean Technology - Madrid
継続期間: 2004 9 262004 9 29

Other

OtherREWAS'04 - Global Symposium on Recycling, Waste Treatment and Clean Technology
CityMadrid
Period04/9/2604/9/29

ASJC Scopus subject areas

  • Engineering(all)

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