| Literature DB >> 33619651 |
Reihaneh Ashouri1, Behnam Rasekh2, Alibakhsh Kasaeian3, Mojgan Sheikhpour4, Fatemeh Yazdian5, Mostafa Dehghani Mobarakeh6.
Abstract
In this research, a zinc oxide/copper oxide/graphene oxide (ZnO/CuO/GO) nanophotocatalyst was synthesized for photodegradation of aniline as a pollutant, upon exposure to ultraviolet light (UV). Three variables including initial aniline concentration, the nanophotocatalyst dosage, and pH were designed. The statistical test and optimal conditions were determined. The consequences specified that the optimum values of pH, initial aniline concentration, the dosage of nanophotocatalyst, and the reaction time were 6, 150 ppm, 1 g/L, and 3 h, respectively. The obtained results revealed that the photodegradation of aniline was enhanced with doping zinc oxide and CuO on the graphene oxide. Under optimal conditions, 97% photodegradation of aniline was observed. The mechanism of aniline degradation with nanophotocatalyst was evaluated by molecular dynamic (MD) graphs. The interactions between nanophotocatalysts and aniline were considered by energy, density graph.Entities:
Keywords: Aniline; Molecular dynamic; Photodegradation; Ultraviolet light; ZnO/CuO/GO nanophotocatalyst
Year: 2021 PMID: 33619651 DOI: 10.1007/s00894-021-04710-7
Source DB: PubMed Journal: J Mol Model ISSN: 0948-5023 Impact factor: 1.810