dc.contributor.author |
Khuzwayo, Zakhele Siyanda Prince
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|
dc.contributor.author |
Chirwa, Evans M.N.
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|
dc.date.accessioned |
2015-09-02T05:05:54Z |
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dc.date.available |
2015-09-02T05:05:54Z |
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dc.date.issued |
2015-12 |
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dc.description.abstract |
This study investigated, modelled and simulated the influence of multi-chlorohalogenation in hetero-geneous photocatalytic degradation of substituted phenols (pentachlorophenol (PCP), trichlorophenol(TCP), dichlorophenol (DCP), and monochlorophenol (CP)). The Langmuir–Hinshelwood approach wasapplied to determine oxidation kinetics. Aquasim 2.0 computational software was used to model, sim-ulate and estimate model parameters of the different chlorophenols. Chemical adsorption equilibriumisotherms for the four chlorophenols and phenol were studied and modelled for adsorption onto tita-nium dioxide (TiO2) semiconductor catalyst. Langmuir adsorption parameters were determined and usedto calculate adsorption constant and maximum adsorption capacity. The adsorption of chloride pheno-lics onto titanium dioxide catalyst increased in the order of 4-CP < DCP < Ph < TCP < PCP. Photocatalyticstudies analysed the efficiency of oxidation and found improved degradation with higher chloride sub-stituted phenolics in the order of PCP > TCP > DCP ≥ 4-CP. Photocatalytic parameters were calculated andestimated along with sensitivity and uncertainty analyses. |
en_ZA |
dc.description.embargo |
2016-12-31 |
en_ZA |
dc.description.librarian |
hb2015 |
en_ZA |
dc.description.sponsorship |
Water Research Commission (WRC) of South Africa through the WRC Project No. K5/1717 awarded to Prof. EvansM.N. Chirwa of the University of Pretoria. |
en_ZA |
dc.description.uri |
http://www.elsevier.com/locate/jhazmat |
en_ZA |
dc.identifier.citation |
Khuzwayo, Z & Chirwa, EMN 2015, 'Modelling and simulation of photocatalytic oxidation mechanism of chlorohalogenated substituted phenols in batch systems : Langmuir-Hinshelwood approach', Journal of Hazardous Materials, vol. 300, pp. 459-466. |
en_ZA |
dc.identifier.issn |
0304-3894 (print) |
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dc.identifier.issn |
1873-3336 (online) |
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dc.identifier.other |
10.1016/j.jhazmat.2015.07.034 |
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dc.identifier.uri |
http://hdl.handle.net/2263/49684 |
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dc.language.iso |
en |
en_ZA |
dc.publisher |
Elsevier |
en_ZA |
dc.rights |
© 2015 Elsevier B.V. All rights reserved. Notice : this is the author’s version of a work that was accepted for publication in Journal of Hazardous Materials. Changes resulting from the publishing process, such as peer review, editing, corrections, structural formatting, and other quality control mechanisms may not be reflected in this document. Changes may have been made to this work since it was submitted for publication. A definitive version was subsequently published in Journal of Hazardous Materials, vol. 300, pp. 459-466, 2015. doi :10.1016/j.jhazmat.2015.07.034. |
en_ZA |
dc.subject |
Photocatalysis |
en_ZA |
dc.subject |
Chlorophenols |
en_ZA |
dc.subject |
Modelling |
en_ZA |
dc.subject |
Simulation |
en_ZA |
dc.title |
Modelling and simulation of photocatalytic oxidation mechanism of chlorohalogenated substituted phenols in batch systems : Langmuir-Hinshelwood approach |
en_ZA |
dc.type |
Postprint Article |
en_ZA |