Prediction of polychlorinated dibenzofuran congener distribution from gas-phase phenol condensation pathways.
A model for predicting the distribution of dibenzofuran and polychlorinated dibenzofuran (PCDF) congeners from a distribution of phenols was developed. The model is based on a simplified chemical mechanism. Relative rate constants and reaction order with respect to phenol precursors were derived from experimental results using single phenols and equal molar mixtures of up to four phenols. For validation, experiments were performed at three temperatures using a distribution of phenol and 19 chlorinated phenols as measured in municipal waste incinerator exhaust gas. Comparison of experimental measurements and model predictions for PCDF isomer distributions and homologue pattern shows agreement within measurement uncertainty. The R-squared correlation coefficient exceeds 0.9 for all PCDF isomer distributions and the distribution of PCDF homologues. These results demonstrate that the distribution of dibenzofuran and the 135 PCDF congeners from gas-phase condensation of phenol and chlorinated phenols can be predicted from measurement of the distribution of phenol and the 19 chlorinated phenol congeners.
Ryu
Jae-Yong
JY
Environmental Engineering Program, School of Civil and Environmental Engineering, Georgia Institute of Technology, 311 Ferst Drive, Atlanta, GA 30332-0512, USA.
Mulholland
James A
JA
Oh
Jeong-Eun
JE
Nakahata
Duane T
DT
Kim
Do-Hyong
DH
D000393:Air Pollutants / Q000737:chemistry*; D001572:Benzofurans / Q000737:chemistry*; D000072338:Dibenzofurans, Polychlorinated; D017745:Incineration; D007700:Kinetics; D008956:Models, Chemical; D010636:Phenols / Q000737:chemistry*; D013696:Temperature
D000393:Air Pollutants; D001572:Benzofurans; D000072338:Dibenzofurans, Polychlorinated; D010636:Phenols; C023614:dibenzofuran