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APPLICATION OF A CONGENER-SPECIFIC DEBROMINATION MODEL TO STUDY PHOTODEBROMINATION, ANAEROBIC MICROBIAL DEBROMINATION, AND FE0
 

Summary: APPLICATION OF A CONGENER-SPECIFIC DEBROMINATION MODEL TO STUDY
PHOTODEBROMINATION, ANAEROBIC MICROBIAL DEBROMINATION, AND FE0
REDUCTION OF POLYBROMINATED DIPHENYL ETHERS
XIA ZENG,y STACI L. MASSEY SIMONICH,*yz KRISTIN R. ROBROCK,§ PETER KORYTA´ R,k LISA ALVAREZ-COHEN,§
and DOUGLAS F. BAROFSKYy
yDepartment of Chemistry, zDepartment of Environmental and Molecular Toxicology, Oregon State University, Corvallis, Oregon 97331, USA
§Department of Civil and Environmental Engineering, University of California, Berkeley, California 94720, USA
kWageningen Institute for Marine Resources and Ecosystem Studies, Haringkade 1, 1976 CP IJmuiden, The Netherlands
(Submitted 30 March 2009; Returned for Revision 4 September 2009; Accepted 26 October 2009)
Abstract--A model was used to predict the photodebromination of the BDE-203, 197, 196, and 153, the major components of the octa-
polybrominated diphenyl ether (PBDE) technical mixture, as well as BDE-47, and the predicted results were compared to the
experimental results. The predicted reaction time profiles of the photodebromination products correlate well with the experimental
results. In addition, the slope of the linear regression between the measured product concentrations of the first step of the
photodebromination products and their enthalpies of formation was found to be close to their theoretical value. The photodebromination
results of the octa-BDE technical mixture were compared with anaerobic microbial debromination results and were found to be the same
in both experiments. The debromination pathways of technical octa-BDE mixture were identified and BDE-154, 99, 47, and 31 were
found to be the most abundant hexa-, penta-, tetra-, and tri-BDE debromination products, respectively. In addition to photodebromi-
nation and anaerobic biodebromination, the model prediction was also compared to the zero-valent iron reduction of BDE-209, 100, and
47 and the same debromination products were observed. Good correlation was observed between the photodebromination rate constants
of fifteen PBDE congeners and their calculated lowest unoccupied molecular orbital (LUMO) energies, indicating that PBDE

  

Source: Alvarez-Cohen, Lisa - Department of Civil and Environmental Engineering, University of California at Berkeley

 

Collections: Engineering; Environmental Management and Restoration Technologies