Issue

Vol. 27 No. 3 (2015): Vol 27 Issue 3

Copyright (c) 2015 AJC

Creative Commons License

This work is licensed under a Creative Commons Attribution 4.0 International License.

Mechanism of Polychlorinated Dibenzo-p-dioxins Degradation by Ozone

https://doi.org/10.14233/ajchem.2015.18266
Zhengcheng Wen
College of Science, Hangzhou Dianzi University, Hangzhou 310018, P.R. China
Puzi Kang
College of Science, Hangzhou Dianzi University, Hangzhou 310018, P.R. China
Benxiao Cai
College of Science, Hangzhou Dianzi University, Hangzhou 310018, P.R. China
Zhihua Wang
State Key Laboratory of Clean Energy Utilization (Zhejiang University), Hangzhou 310027, P.R. China
Jiangrong Xu
College of Science, Hangzhou Dianzi University, Hangzhou 310018, P.R. China
Kefa Cen
State Key Laboratory of Clean Energy Utilization (Zhejiang University), Hangzhou 310027, P.R. China

Corresponding Author(s) : Zhengcheng Wen

wenzc@hdu.edu.cn

Asian Journal of Chemistry, Vol. 27 No. 3 (2015): Vol 27 Issue 3

Abstract

Despite of its fundamental importance, the reaction mechanism of polychlorinated dibenzo-p-dioxins destruction by using ozone still lacks detailed investigation. As a well-established method for investigating the chemical reactions, quantum chemical calculations were employed to investigate this reaction mechanism. Theoretical results showed that polychlorinated dibenzo-p-dioxins were gradually destructed by ozone via the cleavages of the C=C bonds and aromatic rings and the calculated activation energies were about 12 kcal/mol by the UB3LYP ++/6-311G(d,p)//UB3LYP/6-31G(d) method. In order to examine the rationality of the theoretical results, the experiment of the polychlorinated dibenzo-p-dioxins destruction by using ozone was also performed in this work. It was found that increase in the chlorite atoms on polychlorinated dibenzo-p-dioxins increased the theoretical activation energies. Whereas in the experimental results the removal efficiencies were found decreased. Obviously, the increasing of activation energies leads to the descending of removal efficiencies. It is suggested that the theoretical results were backed up quite well by the experimental results.

Keywords

Polychlorinated dibenzo-p-dioxins Ozone Quantum chemistry Reaction mechanism
Wen, Z., Kang, P., Cai, B., Wang, Z., Xu, J., & Cen, K. (2015). Mechanism of Polychlorinated Dibenzo-p-dioxins Degradation by Ozone. Asian Journal of Chemistry, 27(3), 1082–1086. https://doi.org/10.14233/ajchem.2015.18266
Download Citation
Endnote/Zotero/Mendeley (RIS)
BibTeX
References
  1. M. Rose, Environmental Contaminants: Dioxins, Furans and Dioxin-like Polychlorinated Biphenyls, Encyclopedia of Food Safety, Vol. 2, pp. 315-322 (2014).
  2. A. Schecter, L. Birnbaum, J.J. Ryan and J.D. Constable, Environ. Res., 101, 419 (2006); doi:10.1016/j.envres.2005.12.003.
  3. H. Tejima, I. Nakagawa, T. Shinoda and I. Maeda, Chemosphere, 32, 169 (1996); doi:10.1016/0045-6535(95)00243-X.
  4. J.- Yan, Z. Peng, S.- Lu, C.- Du, X.- Li, T. Chen, M.- Ni and K.- Cen, J. Environ. Sci., 19, 1404 (2007); doi:10.1016/S1001-0742(07)60229-0.
  5. M.B. Chang, K.H. Chi, S.H. Chang and J.W. Yeh, Chemosphere, 66, 1114 (2007); doi:10.1016/j.chemosphere.2006.06.020.
  6. A. Buekens and H. Huang, J. Hazard. Mater., 62, 1 (1998); doi:10.1016/S0304-3894(98)00153-8.
  7. P. Samaras, M. Blumenstock, D. Lenoir, K.-W. Schramm and A. Kettrup, Environ. Sci. Technol., 34, 5092 (2000); doi:10.1021/es0001207.
  8. A. Gervasini, G.C. Vezzoli and V. Ragaini, Catal. Today, 29, 449 (1996); doi:10.1016/0920-5861(95)00319-3.
  9. Y.-S. Shen and Y. Ku, Chemosphere, 38, 1855 (1999); doi:10.1016/S0045-6535(98)00400-7.
  10. K. Sekiguchi, A. Sanada and K. Sakamoto, Catal. Commun., 4, 247 (2003); doi:10.1016/S1566-7367(03)00047-5.
  11. C.W. Kwong, Y.H. Chao, K.S. Hui and M.P. Wan, Atmos. Environ., 42, 2300 (2008); doi:10.1016/j.atmosenv.2007.12.030.
  12. P. Haapea and T. Tuhkanen, J. Hazard. Mater., 136, 244 (2006); doi:10.1016/j.jhazmat.2005.12.033.
  13. M.-H. Yuan, C.-Y. Chang, J.-L. Shie, C.-C. Chang, J.-H. Chen and W.-T. Tsai, J. Hazard. Mater., 175, 809 (2010); doi:10.1016/j.jhazmat.2009.10.081.
  14. H.C. Wang, S.H. Chang, P.C. Hung, J.F. Hwang and M.B. Chang, Chemosphere, 71, 388 (2008); doi:10.1016/j.chemosphere.2007.08.041.
  15. H.C. Wang, S.H. Chang, P.C. Hung, J.F. Hwang and M.B. Chang, J. Hazard. Mater., 164, 1452 (2009); doi:10.1016/j.jhazmat.2008.09.093.
  16. M. Altarawneh, B.Z. Dlugogorski, E.M. Kennedy and J.C. Mackie, J. Phys. Chem. A, 111, 2563 (2007); doi:10.1021/jp065558t.
  17. M. Altarawneh, B.Z. Dlugogorski, E.M. Kennedy and J.C. Mackie, Progr. Energy Combus. Sci., 35, 245 (2009); doi:10.1016/j.pecs.2008.12.001.
  18. M.J. Frisch, et al., Gaussian 03, Gaussian, Inc., Pittsburgh, PA (2003).
  19. C. Lee, W. Yang and R.G. Parr, Phys. Rev. B, 37, 785 (1988); doi:10.1103/PhysRevB.37.785.
  20. A.D. Becke, J. Chem. Phys., 98, 5648 (1993); doi:10.1063/1.464913.
  21. C. Gonzalez and H.B. Schlegel, J. Chem. Phys., 90, 2154 (1989); doi:10.1063/1.456010.
  22. M.J. Frisch, M. Head-Gordon and J.A. Pople, Chem. Phys. Lett., 166, 275 (1990); doi:10.1016/0009-2614(90)80029-D.
  23. J. Gauss and C. Cremer, Chem. Phys. Lett., 150, 280 (1988); doi:10.1016/0009-2614(88)80042-3.
  24. K.A. Wiberg, Tetrahedron, 24, 1083 (1968); doi:10.1016/0040-4020(68)88057-3.
  25. M. Van den Berg, L.S. Birnbaum, A.T.C. Bosveld, B. Brunström, Ph. Cook, M. Feeley, J.P. Giesy, A. Hanberg, R. Hasegawa, S.W. Kennedy, T. Kubiak, J.C. Larsen, F.X.R. van Leeuwen, A.K.D. Liem, C. Nolt, R.E. Peterson, L. Poellinger, S. Safe, D. Schrenk, D. Tillitt, M. Tysklind, M. Younes, F. Waern and T. Zacharewski, Environ. Health Persp., 106, 775 (1998).
  26. V.I. Babushok and W. Tsang, Chemosphere, 51, 1023 (2003); doi:10.1016/S0045-6535(02)00716-6.
  27. T. Oberg, Sci. Total Environ., 382, 153 (2007); doi:10.1016/j.scitotenv.2007.03.015.
  28. Z. Wen, Z. Wang, J. Xu, J. Zhou and K. Cen, Asian J. Chem., 24, 3707 (2012).
  29. Z. Wen, Z. Wang, J. Zhou and K. Cen, Ozone Sci. Eng., 31, 393 (2009); doi:10.1080/01919510903157879.
  30. F.A. Marc, J. Phys. Chem. A, 107, 7574 (2003).
Read More
Author biographies is not available.
Download
PDF
Statistic
Read Counter : 0 Download : 0