| | |
Summary: 2427
Environmental Toxicology and Chemistry, Vol. 27, No. 12, pp. 24272435, 2008
2008 SETAC
Printed in the USA
0730-7268/08 $12.00 .00
DEVELOPMENT AND VALIDATION OF A CONGENER-SPECIFIC
PHOTODEGRADATION MODEL FOR POLYBROMINATED DIPHENYL ETHERS
XIA ZENG, STACI L. MASSEY SIMONICH,* KRISTIN R. ROBROCK,§ PETER KORYTA´ R, LISA ALVAREZ-COHEN,§
and DOUGLAS F. BAROFSKY
Department of Chemistry, Department 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
Wageningen Institute for Marine Resources and Ecosystem Studies, Haringkade 1, 1976 CP IJmuiden, The Netherlands
(Received 29 October 2007; Accepted 16 May 2008)
Abstract--With the phaseout of the manufacture of some polybrominated diphenyl ether (PBDE) formulations, namely penta-brominated
diphenyl ether (BDE) and octa-BDE, and the continued use of the deca-BDE formulation, it is important to be able to predict the
photodegradation of the more highly brominated congeners. A model was developed and validated to predict the products and their
relative concentrations from the photodegradation of PBDEs. The enthalpies of formation of the 209 PBDE congeners were calculated,
and the relative reaction rate constants were obtained. The predicted reaction rate constants for PBDEs show linear correlation with
previous experimental results. Because of their large volume use, their presence in the environment, and/or importance in the photodeg-
radation of the deca-BDE formulation, BDE-209, BDE-184, BDE-100, and BDE-99 were chosen for further ultraviolet photodegradation
|
