Migration and transformation of lead species over CaO surface in municipal solid waste incineration fly Ash: A DFT study.
CaO
Density functional theory
Fly ash
Incineration
Lead species
Municipal solid waste
Journal
Waste management (New York, N.Y.)
ISSN: 1879-2456
Titre abrégé: Waste Manag
Pays: United States
ID NLM: 9884362
Informations de publication
Date de publication:
01 Feb 2021
01 Feb 2021
Historique:
received:
23
08
2020
revised:
20
10
2020
accepted:
17
11
2020
pubmed:
8
12
2020
medline:
30
12
2020
entrez:
7
12
2020
Statut:
ppublish
Résumé
Heavy metal pollutants generated from municipal solid waste (MSW) incineration are mainly concentrated in the fly ash, among which lead species have received considerable attention due to their high content and biotoxicity. CaO is an active component in fly ash to adsorb heavy metal species. In this study, based on density functional theory (DFT) calculations, the migration and transformation mechanisms of lead species over the CaO (100) surface were investigated by calculating the adsorption configurations, energies, and electronic structures, etc. The results indicate that the adsorption of lead species over the CaO (100) surface is dominated by chemisorption, and PbCl
Identifiants
pubmed: 33285374
pii: S0956-053X(20)30627-9
doi: 10.1016/j.wasman.2020.11.011
pii:
doi:
Substances chimiques
Coal Ash
0
Metals, Heavy
0
Particulate Matter
0
Solid Waste
0
Lead
2P299V784P
Carbon
7440-44-0
Types de publication
Journal Article
Langues
eng
Sous-ensembles de citation
IM
Pagination
59-67Informations de copyright
Copyright © 2020 Elsevier Ltd. All rights reserved.
Déclaration de conflit d'intérêts
Declaration of Competing Interest The authors declared that there is no conflict of interest.