Polybrominated Diphenyl Ethers –Design and Validation of Models for Photodegradation

0347661 - ÚCHP 2011 CZ eng C - Konferenční příspěvek (zahraniční konf.)
Veselý, Martin - Žabová, Hana - Kaštánek, František - Ponec, Robert - Jiřičný, Vladimír
Polybrominated Diphenyl Ethers –Design and Validation of Models for Photodegradation.
Summaries 5. Praha: Process Engineering Publisher, 2010, s. 1877. ISBN 978-80-02-02250-3.
[International Congress of Chemical and Process Engineering CHISA 2010 and 7th European Congress of Chemical Engineering ECCE-7 /19./. Prague (CZ), 28.08.2010-01.09.2010]
Grant CEP: GA ČR GA104/09/0880
Výzkumný záměr: CEZ:AV0Z40720504
Klíčová slova: polybrominated diphenyl ethers * degradation model * theoretical calculation
Kód oboru RIV: CI - Průmyslová chemie a chemické inženýrství
www.chisa.cz/2010, www.ecce7.com

Presented study predict ways of PBDE degradation using different methods – photodegradation, degradation with zero-valent metal and electrochemical degradation. Thermodynamic properties of all congeners were evaluated for predicting the degradation behavior. These properties were in this study by quantum-chemical calculations, using a semi empirical method AM1. The PBDE properties from the quantum-chemical calculation were also used to predict the wavelength of maximum absorbance, the octanol-water distribution coefficient and the gas chromatography retention times of all PBDE congeners.
Trvalý link: http://hdl.handle.net/11104/0188393