Thermochemistry and Kinetics for the Oxidative Degradation of Dibenzofuran and Precursors

• Yazar: Sebbar, Nadia (auth)
• Materyal Türü: Elektronik Kitap Bölümü
• Dil: İngilizce
• Baskı/Yayın Bilgisi: KIT Scientific Publishing 2006
• Konular: Chemistry; ab initio; Transition state theory; Thermochemistry; DFT; Dioxin; Dibenzofuran; Groupe additivity; Kinetics; QRRK; Isodesmic reactions
• Online Erişim: DOAB: download the publication; DOAB: description of the publication

Özet

The emission of dibenzofurans and dioxins from industrial processes is a major environmental concern. Focussing on dibenzofuran, this study tend to improve our understanding of the general oxidation chemistry and to provide a mechanism suitable for future modelling studies.Based on quantum chemical methods, energies, chemical structures and reactions are calculated numerically. Not only stable molecules and radicals, but also transition states are reported in this work.

Fiziksel Özellikler

1 electronic resource (VIII, 219 p. p.)

ISBN

KSP/1000005428
9783866440852

Erişim

Open Access