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Volumn 435-436, Issue , 2012, Pages 53-60

Mechanism and kinetic study on the OH-initiated degradation of 2,3,7,8-tetrachlorinated dibenzofuran in atmosphere

Author keywords

2,3,7,8 TeCDF; Atmospheric lifetime; Degradation mechanism; OH initiated; Rate constant

Indexed keywords

2,3,7,8-TECDF; ARRHENIUS FORMULA; ATMOSPHERIC LIFETIME; ATMOSPHERIC OXIDATION; DEGRADATION EFFICIENCY; DEGRADATION MECHANISM; DIBENZOFURANS; ELEMENTARY REACTION; FURAN RING; HIGH-ACCURACY; MECHANISM AND KINETICS; MODEL SIMULATION; OH RADICAL; OH-INITIATED; REACTION PATHWAYS; REACTION SPECIES; TEMPERATURE RANGE;

EID: 84864400514     PISSN: 00489697     EISSN: 18791026     Source Type: Journal    
DOI: 10.1016/j.scitotenv.2012.07.007     Document Type: Article
Times cited : (13)

References (43)
  • 1
    • 49449093299 scopus 로고    scopus 로고
    • Computational study of the oxidation and decomposition of dibenzofuran under atmospheric conditions
    • Altarawneh M., Kennedy E.M., Dlugogorski B.Z., Mackie J.C. Computational study of the oxidation and decomposition of dibenzofuran under atmospheric conditions. J Phys Chem A 2008, 112:6960-6967.
    • (2008) J Phys Chem A , vol.112 , pp. 6960-6967
    • Altarawneh, M.1    Kennedy, E.M.2    Dlugogorski, B.Z.3    Mackie, J.C.4
  • 3
    • 0030297639 scopus 로고    scopus 로고
    • Relative rates of formation of polychlorinated dioxins and furans from precursor and de novo reactions
    • Altwicker E.R. Relative rates of formation of polychlorinated dioxins and furans from precursor and de novo reactions. Chemosphere 1996, 33:1897-1904.
    • (1996) Chemosphere , vol.33 , pp. 1897-1904
    • Altwicker, E.R.1
  • 4
    • 0342721235 scopus 로고    scopus 로고
    • Atmospheric chemistry of PCBs, PCDDs and PCDFs
    • Atkinson R. Atmospheric chemistry of PCBs, PCDDs and PCDFs. Environ Sci Technol 1996, 6:53-72.
    • (1996) Environ Sci Technol , vol.6 , pp. 53-72
    • Atkinson, R.1
  • 5
    • 0037654845 scopus 로고    scopus 로고
    • Gas-phase mechanism for dioxin formation
    • Babushok V.I., Tsang W. Gas-phase mechanism for dioxin formation. Chemosphere 2003, 51:1023-1029.
    • (2003) Chemosphere , vol.51 , pp. 1023-1029
    • Babushok, V.I.1    Tsang, W.2
  • 6
    • 4243125018 scopus 로고
    • Ab initio reaction paths and direct dynamics calculations
    • Baldridge M.S., Gordon R., Steckler R., Truhlar D.G. Ab initio reaction paths and direct dynamics calculations. J Phys Chem 1989, 93:5107-5119.
    • (1989) J Phys Chem , vol.93 , pp. 5107-5119
    • Baldridge, M.S.1    Gordon, R.2    Steckler, R.3    Truhlar, D.G.4
  • 7
    • 23444435105 scopus 로고    scopus 로고
    • Characteristics of PCDD/F congener distributions in gas/particulate phases and emissions from two municipal solid waste incinerators in Taiwan
    • Chi K.H., Chang M.B., Chang-Chien G.P., Lin C. Characteristics of PCDD/F congener distributions in gas/particulate phases and emissions from two municipal solid waste incinerators in Taiwan. Sci Total Environ 2005, 346:148-162.
    • (2005) Sci Total Environ , vol.346 , pp. 148-162
    • Chi, K.H.1    Chang, M.B.2    Chang-Chien, G.P.3    Lin, C.4
  • 9
    • 11244309644 scopus 로고    scopus 로고
    • Mechanisms of dioxin formation from the high-temperature oxidation of 2-chlorophenol
    • Evans C.S., Dellinger B. Mechanisms of dioxin formation from the high-temperature oxidation of 2-chlorophenol. Environ Sci Technol 2005, 39:122-127.
    • (2005) Environ Sci Technol , vol.39 , pp. 122-127
    • Evans, C.S.1    Dellinger, B.2
  • 11
    • 33751044609 scopus 로고
    • The path of chemical reactions-the IRC approach
    • Fukui K. The path of chemical reactions-the IRC approach. Acc Chem Res 1981, 14:363-368.
    • (1981) Acc Chem Res , vol.14 , pp. 363-368
    • Fukui, K.1
  • 12
    • 0345116888 scopus 로고
    • Interpolated variational transition-state theory: practical methods for estimating variational transition-state properties and tunneling contributions to chemical reaction rates from electronic structure calculations
    • Gonzalez-Lafont A., Truong T.N., Truhlar D.G. Interpolated variational transition-state theory: practical methods for estimating variational transition-state properties and tunneling contributions to chemical reaction rates from electronic structure calculations. J Chem Phys 1991, 95:8875-8894.
    • (1991) J Chem Phys , vol.95 , pp. 8875-8894
    • Gonzalez-Lafont, A.1    Truong, T.N.2    Truhlar, D.G.3
  • 13
    • 0037395864 scopus 로고    scopus 로고
    • Dioxin risks in perspective: past, present, and future
    • Hays S.M., Aylward L.L. Dioxin risks in perspective: past, present, and future. Regul Toxicol Pharmacol 2003, 37:202-217.
    • (2003) Regul Toxicol Pharmacol , vol.37 , pp. 202-217
    • Hays, S.M.1    Aylward, L.L.2
  • 14
    • 77955563107 scopus 로고    scopus 로고
    • Degradation of gaseous dioxin-like compounds with dielectric barrier discharges
    • Hung P.C., Chang S.H., Chi K.H., Chang M.B. Degradation of gaseous dioxin-like compounds with dielectric barrier discharges. J Hazard Mater 2010, 182:246-251.
    • (2010) J Hazard Mater , vol.182 , pp. 246-251
    • Hung, P.C.1    Chang, S.H.2    Chi, K.H.3    Chang, M.B.4
  • 15
    • 0023653244 scopus 로고
    • Model studies of polychlorinated dibenzo-p-dioxin formation during municipal refuse incineration
    • Karasek F.W., Dickson L.C. Model studies of polychlorinated dibenzo-p-dioxin formation during municipal refuse incineration. Science 1987, 237:754-756.
    • (1987) Science , vol.237 , pp. 754-756
    • Karasek, F.W.1    Dickson, L.C.2
  • 16
    • 0028990418 scopus 로고
    • Estimation of hydroxyl radical reaction-rate constants for gas-phase organic-compounds using a structure-reactivity relationship: an update
    • Kwok E.S.C., Atkinson R. Estimation of hydroxyl radical reaction-rate constants for gas-phase organic-compounds using a structure-reactivity relationship: an update. Atmos Environ 1995, 29:1685-1695.
    • (1995) Atmos Environ , vol.29 , pp. 1685-1695
    • Kwok, E.S.C.1    Atkinson, R.2
  • 17
    • 0442311073 scopus 로고    scopus 로고
    • Theoretical study on the reaction of OH radicals with polychlorinated dibenzo-p-dioxin
    • Lee J.E., Choi W., Mhin B.J., Balasubramanian K. Theoretical study on the reaction of OH radicals with polychlorinated dibenzo-p-dioxin. J Phys Chem A 2004, 108:607-614.
    • (2004) J Phys Chem A , vol.108 , pp. 607-614
    • Lee, J.E.1    Choi, W.2    Mhin, B.J.3    Balasubramanian, K.4
  • 18
    • 79954585410 scopus 로고
    • Molecular modeling of the kinetic isotope effect for the (1,5)-sigmatropic rearrangement of cis-1,3-pentadiene
    • Liu Y.P., Lynch G.C., Truong T.N., Lu D.H., Truhlar D.G., Garrett B.C. Molecular modeling of the kinetic isotope effect for the (1,5)-sigmatropic rearrangement of cis-1,3-pentadiene. J Am Chem Soc 1993, 115:2408-2415.
    • (1993) J Am Chem Soc , vol.115 , pp. 2408-2415
    • Liu, Y.P.1    Lynch, G.C.2    Truong, T.N.3    Lu, D.H.4    Truhlar, D.G.5    Garrett, B.C.6
  • 19
    • 72849143271 scopus 로고    scopus 로고
    • Atmospheric emission of PCDD/Fs, PCBs, hexachlorobenzene, and pentachlorobenzene from the coking industry
    • Liu G.R., Zheng M.H., Liu W.B., Wang C.Z., Zhang B., Gao L.R., et al. Atmospheric emission of PCDD/Fs, PCBs, hexachlorobenzene, and pentachlorobenzene from the coking industry. Environ Sci Technol 2009, 43:9196-9201.
    • (2009) Environ Sci Technol , vol.43 , pp. 9196-9201
    • Liu, G.R.1    Zheng, M.H.2    Liu, W.B.3    Wang, C.Z.4    Zhang, B.5    Gao, L.R.6
  • 20
    • 79960479758 scopus 로고    scopus 로고
    • Reactivity of aqueous phase hydroxyl radical with halogenated carboxylate anions: experimental and theoretical studies
    • Minakata D., Song W.H., Crittenden J. Reactivity of aqueous phase hydroxyl radical with halogenated carboxylate anions: experimental and theoretical studies. Environ Sci Technol 2011, 43:6057-6065.
    • (2011) Environ Sci Technol , vol.43 , pp. 6057-6065
    • Minakata, D.1    Song, W.H.2    Crittenden, J.3
  • 21
    • 0035122063 scopus 로고    scopus 로고
    • Temperature dependence of DCDD/F isomer distributions from chlorophenol precursors
    • Mulholland J.A., Akki U., Yang Y., Ryu J.Y. Temperature dependence of DCDD/F isomer distributions from chlorophenol precursors. Chemosphere 2001, 42:719-727.
    • (2001) Chemosphere , vol.42 , pp. 719-727
    • Mulholland, J.A.1    Akki, U.2    Yang, Y.3    Ryu, J.Y.4
  • 22
    • 66249112840 scopus 로고    scopus 로고
    • Mechanistic and kinetic studies on the homogeneous gas-phase formation of PCDD/Fs from 2,4,5-trichlorophenol
    • Qu X., Wang H., Zhang Q., Shi X., Xu F., Wang W. Mechanistic and kinetic studies on the homogeneous gas-phase formation of PCDD/Fs from 2,4,5-trichlorophenol. Environ Sci Technol 2009, 43:4068-4075.
    • (2009) Environ Sci Technol , vol.43 , pp. 4068-4075
    • Qu, X.1    Wang, H.2    Zhang, Q.3    Shi, X.4    Xu, F.5    Wang, W.6
  • 23
    • 67651095812 scopus 로고    scopus 로고
    • Impacts of human activities on dioxins emissions at national scale
    • Ren Z.Y., Zheng M.H. Impacts of human activities on dioxins emissions at national scale. Chemosphere 2009, 76:853-859.
    • (2009) Chemosphere , vol.76 , pp. 853-859
    • Ren, Z.Y.1    Zheng, M.H.2
  • 24
    • 0021045538 scopus 로고
    • Dioxin formation in incinerators
    • Shaub W.M., Tsang W. Dioxin formation in incinerators. Environ Sci Technol 1983, 17:721-730.
    • (1983) Environ Sci Technol , vol.17 , pp. 721-730
    • Shaub, W.M.1    Tsang, W.2
  • 25
    • 0033999540 scopus 로고    scopus 로고
    • Degradation half-life times of PCDDs, PCDFs and PCBs for environmental fate modeling
    • Sinkkonen S., Paasivirta J. Degradation half-life times of PCDDs, PCDFs and PCBs for environmental fate modeling. Chemosphere 2000, 40:943-949.
    • (2000) Chemosphere , vol.40 , pp. 943-949
    • Sinkkonen, S.1    Paasivirta, J.2
  • 26
    • 46549084712 scopus 로고    scopus 로고
    • Degradation mechanism of PCDDs initiated by OH radical in photo-fenton oxidation technology: quantum chemistry and quantitative structure activity relationship
    • Sun X.M., Sun T.L., Zhang Q.Z., Wang W.X. Degradation mechanism of PCDDs initiated by OH radical in photo-fenton oxidation technology: quantum chemistry and quantitative structure activity relationship. Sci Total Environ 2008, 402:123-129.
    • (2008) Sci Total Environ , vol.402 , pp. 123-129
    • Sun, X.M.1    Sun, T.L.2    Zhang, Q.Z.3    Wang, W.X.4
  • 27
    • 0035326327 scopus 로고    scopus 로고
    • Thermodynamic modeling of PCDD/Fs formation in thermal processes
    • Tan P., Hurtado I., Neuscutz D. Thermodynamic modeling of PCDD/Fs formation in thermal processes. Environ Sci Technol 2001, 35:1867-1874.
    • (2001) Environ Sci Technol , vol.35 , pp. 1867-1874
    • Tan, P.1    Hurtado, I.2    Neuscutz, D.3
  • 29
    • 0002930096 scopus 로고
    • The Smiles and related rearrangements of aromatic systems
    • Truce W.E., Krieder E.M., Brand W.W. The Smiles and related rearrangements of aromatic systems. Org React 1970, 18:99-215.
    • (1970) Org React , vol.18 , pp. 99-215
    • Truce, W.E.1    Krieder, E.M.2    Brand, W.W.3
  • 30
    • 78650725200 scopus 로고    scopus 로고
    • Atmospheric oxidation mechanisms of polychlorinated dibenzo-p-dioxins are different from those of benzene and dibenzofuran: a theoretical prediction
    • Wang L., Tang A. Atmospheric oxidation mechanisms of polychlorinated dibenzo-p-dioxins are different from those of benzene and dibenzofuran: a theoretical prediction. Chemosphere 2011, 82:782-785.
    • (2011) Chemosphere , vol.82 , pp. 782-785
    • Wang, L.1    Tang, A.2
  • 31
    • 0001698463 scopus 로고    scopus 로고
    • On the mechanism of the formation of polychlorinated dibenzofurans from chlorophenols
    • Weber R., Hagenmaier H. On the mechanism of the formation of polychlorinated dibenzofurans from chlorophenols. Organohalogen Compd 1997, 31:480-485.
    • (1997) Organohalogen Compd , vol.31 , pp. 480-485
    • Weber, R.1    Hagenmaier, H.2
  • 32
    • 0032792592 scopus 로고    scopus 로고
    • Reactions of diphenyl ether with chlorine and bromine atoms around 750 K relevance for gas-phase dioxin formation
    • Wiater I., Louw R. Reactions of diphenyl ether with chlorine and bromine atoms around 750 K relevance for gas-phase dioxin formation. Euro J Org Chem 1999, 1:261-265.
    • (1999) Euro J Org Chem , vol.1 , pp. 261-265
    • Wiater, I.1    Louw, R.2
  • 33
    • 77956159545 scopus 로고    scopus 로고
    • Dioxin formations from the radical/radical cross-condensation of phenoxy radicals with 2-chlorophenoxy radicals and 2,4,6-trichlorophenoxy radicals
    • Xu F., Yu W., Gao R., Zhou Q., Zhang Q., Wang W. Dioxin formations from the radical/radical cross-condensation of phenoxy radicals with 2-chlorophenoxy radicals and 2,4,6-trichlorophenoxy radicals. Environ Sci Technol 2010, 44:6745-6751.
    • (2010) Environ Sci Technol , vol.44 , pp. 6745-6751
    • Xu, F.1    Yu, W.2    Gao, R.3    Zhou, Q.4    Zhang, Q.5    Wang, W.6
  • 34
    • 78651410156 scopus 로고    scopus 로고
    • Mechanism and direct kinetic study of the polychlorinated dibenzo-p-dioxin and dibenzofuran formations from the radical/radical cross-condensation of 2,4-dichlorophenoxy with 2-chlorophenoxy and 2,4,6-trichlorophenoxy
    • Xu F., Yu W.N., Zhou Q., Gao R., Sun X.Y., Zhang Q.Z., et al. Mechanism and direct kinetic study of the polychlorinated dibenzo-p-dioxin and dibenzofuran formations from the radical/radical cross-condensation of 2,4-dichlorophenoxy with 2-chlorophenoxy and 2,4,6-trichlorophenoxy. Environ Sci Technol 2011, 45:643-650.
    • (2011) Environ Sci Technol , vol.45 , pp. 643-650
    • Xu, F.1    Yu, W.N.2    Zhou, Q.3    Gao, R.4    Sun, X.Y.5    Zhang, Q.Z.6
  • 35
    • 20644460782 scopus 로고    scopus 로고
    • Formation of dioxins during the combustion of newspapers in the presence of sodium chloride and poly(vinyl chloride)
    • Yasuhara A., Katami T., Okuda T., Ohno N., Adriaens P. Formation of dioxins during the combustion of newspapers in the presence of sodium chloride and poly(vinyl chloride). Environ Sci Technol 2001, 35:1373-1378.
    • (2001) Environ Sci Technol , vol.35 , pp. 1373-1378
    • Yasuhara, A.1    Katami, T.2    Okuda, T.3    Ohno, N.4    Adriaens, P.5
  • 36
    • 79952175781 scopus 로고    scopus 로고
    • Mechanism and direct kinetics study on the homogeneous gas-phase formation of PBDD/Fs from 2-BP, 2,4-DBP, and 2,4,6-TBP as precursors
    • Yu W.N., Hu J.T., Xu F., Sun X.Y., Gao R., Zhang Q.Z., et al. Mechanism and direct kinetics study on the homogeneous gas-phase formation of PBDD/Fs from 2-BP, 2,4-DBP, and 2,4,6-TBP as precursors. Environ Sci Technol 2011, 45:1917-1925.
    • (2011) Environ Sci Technol , vol.45 , pp. 1917-1925
    • Yu, W.N.1    Hu, J.T.2    Xu, F.3    Sun, X.Y.4    Gao, R.5    Zhang, Q.Z.6
  • 37
    • 36649029309 scopus 로고    scopus 로고
    • Polychlorinated dibenzo-p-dioxins and dibenzofurans emissions from open burning of crop residues in China between 1997 and 2004
    • Zhang Q., Huang J., Yu G. Polychlorinated dibenzo-p-dioxins and dibenzofurans emissions from open burning of crop residues in China between 1997 and 2004. Environ Pollut 2008, 151:39-46.
    • (2008) Environ Pollut , vol.151 , pp. 39-46
    • Zhang, Q.1    Huang, J.2    Yu, G.3
  • 38
    • 54749152860 scopus 로고    scopus 로고
    • A quantum mechanical study on the formation of PCDD/Fs from 2-chlorophenol as precursor
    • Zhang Q., Li S., Qu X., Shi X., Wang W. A quantum mechanical study on the formation of PCDD/Fs from 2-chlorophenol as precursor. Environ Sci Technol 2008, 42:7301-7308.
    • (2008) Environ Sci Technol , vol.42 , pp. 7301-7308
    • Zhang, Q.1    Li, S.2    Qu, X.3    Shi, X.4    Wang, W.5
  • 39
    • 77951803637 scopus 로고    scopus 로고
    • Quantum chemical and kinetic study on dioxin formation from the 2,4,6-TCP and 2,4-DCP precursors
    • Zhang Q., Yu W., Zhang R., Zhou Q., Gao R., Wang W. Quantum chemical and kinetic study on dioxin formation from the 2,4,6-TCP and 2,4-DCP precursors. Environ Sci Technol 2010, 44:3395-3403.
    • (2010) Environ Sci Technol , vol.44 , pp. 3395-3403
    • Zhang, Q.1    Yu, W.2    Zhang, R.3    Zhou, Q.4    Gao, R.5    Wang, W.6
  • 40
    • 77957347770 scopus 로고    scopus 로고
    • Quantum chemical investigation and experimental verification on the aquatic photochemistry of the sunscreen 2-phenylbenzimidazole-5-sulfonic acid
    • Zhang S.Y., Chen J.W., Qiao X.L., Ge L.K., Cai X.Y., Na G.S. Quantum chemical investigation and experimental verification on the aquatic photochemistry of the sunscreen 2-phenylbenzimidazole-5-sulfonic acid. Environ Sci Technol 2010, 44:7484-7490.
    • (2010) Environ Sci Technol , vol.44 , pp. 7484-7490
    • Zhang, S.Y.1    Chen, J.W.2    Qiao, X.L.3    Ge, L.K.4    Cai, X.Y.5    Na, G.S.6
  • 42
    • 4344577294 scopus 로고    scopus 로고
    • Hybrid meta density functional theory methods for thermochemistry, thermochemical kinetics, and noncovalent interactions: the MPW1B95 and MPWB1K models and comparative assessments for hydrogen bonding and Van Der Waals interactions
    • Zhao Y., Truhlar D.G. Hybrid meta density functional theory methods for thermochemistry, thermochemical kinetics, and noncovalent interactions: the MPW1B95 and MPWB1K models and comparative assessments for hydrogen bonding and Van Der Waals interactions. J Phys Chem A 2004, 108:6908-6918.
    • (2004) J Phys Chem A , vol.108 , pp. 6908-6918
    • Zhao, Y.1    Truhlar, D.G.2
  • 43
    • 79957851357 scopus 로고    scopus 로고
    • Quantum chemical investigation on the mechanism and kinetics of PBDE photooxidation by OH: a case study for BDE-15
    • Zhou J., Chen J.W., Liang C.H., Xie Q., Wang Y.N., Zhang S.Y., et al. Quantum chemical investigation on the mechanism and kinetics of PBDE photooxidation by OH: a case study for BDE-15. Environ Sci Technol 2011, 45:4839-4845.
    • (2011) Environ Sci Technol , vol.45 , pp. 4839-4845
    • Zhou, J.1    Chen, J.W.2    Liang, C.H.3    Xie, Q.4    Wang, Y.N.5    Zhang, S.Y.6


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