Experimental study of humic acid degradation and theoretical modelling of catalytic ozonation
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  • 作者:Ozge Turkay ; Hatice Inan ; Anatoli Dimoglo
  • 关键词:Humic acid ; Catalytic ozonation ; Titanium dioxide ; Molecular modelling
  • 刊名:Environmental Science and Pollution Research
  • 出版年:2015
  • 出版时间:January 2015
  • 年:2015
  • 卷:22
  • 期:1
  • 页码:202-210
  • 全文大小:2,930 KB
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    11. Kasprzyk-Hordern B, Raczyk-Stanislawiak U, Swietlik J, Nawrocki J (2006) Catalytic ozonation of natural organic matter on alumina. Appl Catal B Environ 62(3-):345-58. doi:10.1016/j.apcatb.2005.09.002 CrossRef
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  • 刊物类别:Earth and Environmental Science
  • 刊物主题:Environment
    Environment
    Atmospheric Protection, Air Quality Control and Air Pollution
    Waste Water Technology, Water Pollution Control, Water Management and Aquatic Pollution
    Industrial Pollution Prevention
  • 出版者:Springer Berlin / Heidelberg
  • ISSN:1614-7499
文摘
The efficiency of TiO2 as a catalyst in the ozonation of humic acid (HA) was evaluated in a comprehensive manner. Ozonation, catalytic ozonation and adsorption experiments were conducted using both synthetic HA solution and natural water. HA degradation was evaluated in terms of DOC, VIS400 and UV254. It was shown that the addition of catalyst positively affects the mechanism of ozonation. An increase in HA degradation was observed for all these parameters. The impact of catalyst dose and initial pH value of HA on the efficacy of catalytic ozonation was investigated. The highest removal efficiencies were achieved with the dose of 1?g?l? of TiO2 (Degussa P-25) and in the acidic pH region. The catalytic ozonation process was efficient also on natural water component although not at the same level as it was on synthetic water. The adsorptive feature of P-25 was considered to have a clear evidence of the catalytic ozonation mechanism. The mechanism of catalysis on the surface of metal oxides was elucidated with the help of quantum-chemical calculations. In the framework of Density Function Theory (DFT), the O3 decomposition was calculated in the catalytic and non-catalytic processes. Donor–acceptor properties of the frontier (highest occupied and lowest unoccupied molecular orbitals, HOMO/LUMO) orbitals are discussed. Electron density distribution and reaction mechanism of superoxide particles formation, which participate in the process of HA ozonation are analyzed.

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