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.
| Original language | English |
|---|---|
| Pages (from-to) | 995-1005 |
| Number of pages | 11 |
| Journal | Research on Chemical Intermediates |
| Volume | 38 |
| Issue number | 3-5 |
| DOIs | |
| Publication status | Published - Mar 2012 |
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Keywords
- Adsorption energy
- Fukui indices
- Molecular dynamic
- Photocatalytic
- ZnO
ASJC Scopus subject areas
- Chemistry(all)
Cite this
Photodegradation of chlorophenolic compounds using zinc oxide as photocatalyst : Experimental and theoretical studies. / Musa, Ahmed Y.; Ba-Abbad, Muneer M.; Kadhum, Abdul Amir H.; Mohamad, Abu Bakar.
In: Research on Chemical Intermediates, Vol. 38, No. 3-5, 03.2012, p. 995-1005.Research output: Contribution to journal › Article
}
TY - JOUR
T1 - Photodegradation of chlorophenolic compounds using zinc oxide as photocatalyst
T2 - Experimental and theoretical studies
AU - Musa, Ahmed Y.
AU - Ba-Abbad, Muneer M.
AU - Kadhum, Abdul Amir H.
AU - Mohamad, Abu Bakar
PY - 2012/3
Y1 - 2012/3
N2 - 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.
AB - 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.
KW - Adsorption energy
KW - Fukui indices
KW - Molecular dynamic
KW - Photocatalytic
KW - ZnO
UR - http://www.scopus.com/inward/record.url?scp=84862656556&partnerID=8YFLogxK
UR - http://www.scopus.com/inward/citedby.url?scp=84862656556&partnerID=8YFLogxK
U2 - 10.1007/s11164-011-0435-3
DO - 10.1007/s11164-011-0435-3
M3 - Article
AN - SCOPUS:84862656556
VL - 38
SP - 995
EP - 1005
JO - Research on Chemical Intermediates
JF - Research on Chemical Intermediates
SN - 0922-6168
IS - 3-5
ER -