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Influence of C₆H₄(OH)₂ isomers on water disinfection by photocatalysis: a computational study
Solar disinfection by photocatalysis is one of the promising methods used for drinking water disinfection. It leads to the destruction of bacteria like Escherichia Coli (E. Coli). In this paper, we compare our theoretical results with experimental ones done previously by A.G. Rincón and his collea...
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| Main Authors: | , , |
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| Format: | Article |
| Language: | English |
| Published: |
Інститут фізики конденсованих систем НАН України
2017
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| Series: | Condensed Matter Physics |
| Online Access: | http://dspace.nbuv.gov.ua/handle/123456789/156993 |
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| Summary: | Solar disinfection by photocatalysis is one of the promising methods used for drinking water disinfection. It
leads to the destruction of bacteria like Escherichia Coli (E. Coli). In this paper, we compare our theoretical
results with experimental ones done previously by A.G. Rincón and his colleagues concerning the order of decay
of C₆H₄(OH)₂ isomers in the presence of titanium dioxide TiO₂, and show the influence of optical properties of
those molecules on E. Coli inactivation. According to the adsorption energy parameter, we find that catechol
has the highest adsorption degree on titanium dioxide, followed by resorcinol, and finally hydroquinone. Three
dihydroxybenzene isomers absorb photons belonging to ultraviolet (UV) range. The lowest absorption energies
of resorcinol, catechol and hydroquinone are respectively 3.42, 4.44 and 4.49 eV |
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