Photodegradation of chlorophenolic compounds using zinc oxide as photocatalyst

Experimental and theoretical studies

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

Research output: Contribution to journalArticle

13 Citations (Scopus)

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 languageEnglish
Pages (from-to)995-1005
Number of pages11
JournalResearch on Chemical Intermediates
Volume38
Issue number3-5
DOIs
Publication statusPublished - Mar 2012

Fingerprint

Zinc Oxide
Photodegradation
Photocatalysts
Nanoparticles
Degradation
Sol-gel process
Molecular dynamics
Dynamic models
Adsorption
X ray diffraction
Catalysts
2-chlorophenol
2,4,6-trichlorophenol

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 journalArticle

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