Model for photodegradation of polybrominated diphenyl ethers
Language English Country Germany Media print-electronic
Document type Journal Article, Research Support, Non-U.S. Gov't
- MeSH
- Photolysis * MeSH
- Halogenated Diphenyl Ethers chemistry MeSH
- Molecular Structure MeSH
- Computer Simulation MeSH
- Reproducibility of Results MeSH
- Flame Retardants analysis MeSH
- Models, Theoretical * MeSH
- Publication type
- Journal Article MeSH
- Research Support, Non-U.S. Gov't MeSH
- Names of Substances
- Halogenated Diphenyl Ethers MeSH
- Flame Retardants MeSH
Polybrominated diphenyl ethers (PBDE) were, and in some countries still are, used as flame retardants for plastic materials. When released from plastics, PDBE cause harm to the environment. This creates the incentive for further investigation of the PBDE degradation. This work focused on a formulation of a PBDE photodegradation model based on the PBDE properties obtained by the quantum chemical calculations. The proposed model predicted degradation routes of arbitrary PBDE congener. The routes of selected congeners were validated by the two independently published data sets and showed the high fitting degree. The model can be easily modified for any reactor system if the initial reaction rate constant of one congener is available for the given system.
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