Hg(0) Removal Using Se(0)-doped Montmorillonite from Selenite(IV)

Lee, Joo-Youp; Kim, Yong Jin

doi:10.5012/bkcs.2013.34.12.3767

Cited by 5 publications

(1 citation statement)

References 10 publications

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“…In contrast, the Hg–Se binding affinity is stronger, about 1 million-fold higher than that of Hg–S . Thus, elemental selenium has been used as a sorbent to remove mercury. − However, for SeO 2 , it may have a complicated influence on the Hg 0 oxidation behavior. It may play a positive role in improving Hg 0 adsorption or lead to the re-release of Hg 0 by the reduction of an adsorption product .…”

Section: Introductionmentioning

confidence: 99%

Density Functional Theory Studies of the Adsorption and Interactions between Selenium Species and Mercury on Activated Carbon

Shen

et al. 2020

Energy Fuels

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Mercury and selenium are two typical heavy metal pollutants in coal combustion flue gas. The adsorption mechanism of Se0 and SeO2 over an activated carbon (AC) adsorbent and the specific role of selenium species in Hg0 elimination were systematically studied by density functional theory calculation. The adsorption complex structures of a single Se0 atom and SeO2 molecule on the AC surface were optimized. The adsorption energy in a range of −238.97 to −545.80 kJ/mol indicated that chemisorption was the main adsorption mechanism. The adsorption properties of multiple Se0 atoms and SeO2 molecules on the AC surface were studied, and the most possible adsorption pathway was given. Multi-Se0 atoms preferred to adsorb on neighboring active sites of the AC surface to share their atomic orbitals. Instead, multi-SeO2 molecules preferred to occupy the active sites of the AC surface without any interaction. The multicomponent adsorption processes of Hg0 and selenium species on the AC surface were studied by calculating adsorption energies, electron charge transfer, and atomic bond populations. For the coadsorption of Hg0 and Se0, they preferred to adsorb on different carbon atoms in a separate way. In contrast, SeO2 tends to decompose into Se and SeO ions, and Hg0 can achieve stable configuration through interacting with the SeO ion and AC surface with an adsorption energy of −354.92 kJ/mol. This study indicated future potential for applying activated carbon in multicomponent adsorption of selenium and mercury in coal combustion flue gases.

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