| Co-Investigator(Kenkyū-buntansha) |
KASAI Eiki Tohoku University, Institute of Multidisciplinary Research for Advanced Materials, Professor, 多元物質科学研究所, 教授 (50134044)
SHIBATA Etsuro Tohoku University, Institute of Multidisciplinary Research for Advanced Materials, Research Associate, 多元物質科学研究所, 助手 (70312650)
KAWAMOTO Katsuya Research Center for Material Cycles and Waste Management, National Institute for Environmental Studies, Head of Laboratory, 循環型社会形成推進, 廃棄物研究センター・室長 (50257325)
KURAMOCHI Hidetoshi Research Center for Material Cycles and Waste Management, National Institute for Environmental Studies, Senior Researcher, 循環型社会形成推進, 廃棄物研究センター・研究員 (50353537)
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| Research Abstract |
In this study, the physico-chemical properties of polybrominated dibenzo-p-dioxins and furans (PBDD/Fs), polybrominated/chlorinated dibenzo-p-dioxins and furans (PBCDD/Fs) and other brominated aromatic compounds were measured and also theoretically calculated in order to obtain the basic knowledge for the achievement of their reduction and the prevention of their discharge from waste treatments. The vapor pressures of polybrominated diphenyl ethers (4-MoBDE, 4,4'-DiBDE, DecaBDE), polybrominated phenols (2,4-DiBPh, 2,4,6-TrBPh, PeBPh), polybrominated benzenes (1,2,4-TrBBz, 1,2,4,5-TeBBz, HxBBz), tetrabromobisphenol A (TBBPA) and OBDD were measured by the Knudsen effusion method using a vacuum-microbalance. The enthalpies of fusion and melting points for 4,4'-DiBDE, DeBDE, 2,4-DBPh, 2,4,6-TBPh, PeBPh, 1,2,4-TBBz, 1,2,4,5-TBBz, HxBBz and TBBPA were also measured using DSC. The thermodynamic data such as standard enthalpies of formation, entropies and heat capacities were calculated for all PBDD/F isomers, 339 PBCDD/F isomers and 242 brominated flame retardant isomers using Density Functional Theory. Using these thermodynamic data, the behaviors of PBDD/Fs and PBCDD/Fs in waste incinerator flue gases were thermodynamically estimated in the various temperatures and atmosphere conditions. For these brominated frame retardants, the water-solubilities and 1-octanol/water partition coefficients were measured by the generator column method. From these water-solubilities and the above thermodynamic data, their activity coefficients and Henry's constants were derived. The UNIFAC parameters were extended in order to apply the UNIFAC model for brominated aromatic compounds including PBDD/Fs. Their environmental partitioning behaviors are totally estimated using the conventional fate analysis model.
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