Model for Photodegradation of Polybrominated Diphenyl Ethers

0443347 - ÚCHP 2016 RIV DE eng J - Článek v odborném periodiku
Veselý, M. - Vajglová, Zuzana - Kotas, Petr - Křišťál, Jiří - Ponec, Robert - Jiřičný, Vladimír
Model for Photodegradation of Polybrominated Diphenyl Ethers.
Environmental Science and Pollution Research. Roč. 22, č. 7 (2015), s. 4949-4963. ISSN 0944-1344. E-ISSN 1614-7499
Grant CEP: GA ČR GA104/09/0880; GA ČR(CZ) GAP105/12/0664
Institucionální podpora: RVO:67985858 ; RVO:67179843
Klíčová slova: polybrominated diphenyl ethers * photodegradation model * quantum chemical calculation
Kód oboru RIV: CI - Průmyslová chemie a chemické inženýrství
Impakt faktor: 2.760, rok: 2015

Polybrominated diphenyl ethers (PBDE) were, and in some countries still are, used as flame retardants for plastic materials. However, PDBE are released from plastics and cause harm to the environment. Previous studies revealed that PBDE are very persistent and accumulate in the environment. Due to the structural analogy with the harmful polychlorinated biphenyls, the PBDE pose a risk of similar toxicity. This creates the incentive for further investigation of the PBDE degradation. This work is focused on the formulation of the PBDE photodegradation model based on the PBDE properties obtained by the quantum chemical calculation. Degradation trajectories of selected PBDE were predicted using the proposed model. The model results were validated by two independently published data sets and showed very good agreement. Proposed model can be easily modified for another reactor system if the initial reaction rate constant of one congener is available for the given system.
Trvalý link: http://hdl.handle.net/11104/0246219