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Photodegradation of chlorophenolic compounds using zinc oxide as photocatalyst: experimental and theoretical studies

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Abstract

Zinc oxide nanoparticles were synthesized via the sol–gel method. The structures of the obtained nanoparticles were investigated by X-ray diffraction. The photocatalytic degradation of chlorophenolic compounds, namely 2-chlorophenol (CP), 2,4-dichlorophenol (DCP) and 2,4,6-trichlorophenol (TCP), was carried out using ZnO nanoparticles under solar intensity of 20–26 W m−2. The photocatalytic degradation efficiency of TCP < DCP < CP was found. The adsorption energies of the chlorophenolic compounds with ZnO catalyst were calculated from quantum chemical molecular dynamic model and found to increase in the order of TCP < DCP < CP.

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Acknowledgment

The authors gratefully acknowledge the National University of Malaysia (No. UKM-GUP-2011-035) for support of this study.

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Authors and Affiliations

  1. Department of Chemical and Process Engineering, Universiti Kebangsaan Malaysia, 43600, Selangor, Bangi, Malaysia

    Ahmed Y. Musa, Muneer M. Ba-Abbad, Abdul Amir H. Kadhum & Abu Bakar Mohamad

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  1. Ahmed Y. Musa
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  2. Muneer M. Ba-Abbad
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  3. Abdul Amir H. Kadhum
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  4. Abu Bakar Mohamad
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Correspondence to Ahmed Y. Musa.

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Musa, A.Y., Ba-Abbad, M.M., Kadhum, A.A.H. et al. Photodegradation of chlorophenolic compounds using zinc oxide as photocatalyst: experimental and theoretical studies. Res Chem Intermed 38, 995–1005 (2012). https://doi.org/10.1007/s11164-011-0435-3

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