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2024 (English) In: Environmental Pollution, ISSN 0269-7491, E-ISSN 1873-6424, Vol. 361, article id 124750Article in journal (Refereed) Published
Abstract [en] Calcium oxide (CaO), utilized in semi-dry/dry desulfurization systems at municipal solid waste incineration (MSWI) plants, demonstrates some capability to remove polychlorinated dibenzo-p-dioxins and dibenzofurans (PCDD/Fs). This study assessed the gas-phase PCDD/F removal performance of CaO, activated carbon (AC) and CaO-AC mixtures. Alone, CaO achieved removal efficiencies of only 31.9% for mass and 50.8% for I-TEQ concentration. However, CaO-AC mixtures exhibited significantly higher efficiencies, reaching 96.0% and 92.5% for mass and I-TEQ concentrations, respectively, surpassing those of AC alone, which were 74.7% and 58.5%. BET analysis indicated that CaO's limited surface area and pore structure are major constraints on its adsorption performance. Density functional theory (DFT) calculations revealed that the π-π electron donor-acceptor (EDA) interaction enhances the adsorption between AC and PCDD/F, with adsorption energies ranging from -1.02 to -1.24 eV. Additionally, the induced dipole interactions between CaO and PCDD/F contribute to adsorption energies ranging from -1.13 to -1.43 eV. Moreover, with increasing chlorination levels, PCDD/F molecules are more predisposed to accept electron transfers from the surfaces of AC or CaO, thereby facilitating adsorption. The calculation for mixed AC and CaO showed that CaO modifies AC's properties, enhancing its ability to adsorb gas phase PCDD/Fs, with the higher adsorption energy and more electrons transfer, aligning with gas phase PCDD/Fs adsorption experiments. This study provides a comprehensive understanding of how CaO influences the PCDD/F adsorption performance of AC.
Place, publisher, year, edition, pages
Springer, 2024
Keywords Activated carbon, Calcium oxide, DFT calculation, Gas phase PCDD/Fs
National Category
Metallurgy and Metallic Materials
Identifiers urn:nbn:se:oru:diva-115536 (URN) 10.1016/j.envpol.2024.124750 (DOI) 001305438300001 () 39151785 (PubMedID) 2-s2.0-85202297695 (Scopus ID)
Note This study was financially supported by the National Natural Science Foundation of China (52076192), the Program of Introducing Talents of Discipline to University (No.BP0820002).
Corrigendum to ‘Calcium oxide adsorption of gas phase PCDD/Fs and itsimpact on the adsorption properties of activated carbon’ [Environ. Pollut.,Volume 361, 15 November 2024, 124750] DOI:10.1016/j.envpol.2024.124939
2024-08-212024-08-212024-09-20 Bibliographically approved