Understanding synergetic effect of TiO2-supported silver nanoparticle as a sorbent for Hg0 removal

Rungnim, Chompoonut; Meeprasert, Jittima; Kunaseth, Manaschai; Junkaew, Anchalee; Khamdahsag, Pummarin; Khemthong, Pongtanawat; Pimpha, Nuttaporn; Namuangruk, Supawadee

doi:10.1016/j.cej.2015.03.101

Cited by 23 publications

(6 citation statements)

References 51 publications

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“…Metal surfaces with defects were found to be good materials for Hg 0 adsorption . Wilcox and co-workers focused on experimental and density functional theory (DFT) studies of Au(111). , Moreover, Pd and Ag also exhibited strong affinities for mercury species. − However, the costs of these metals as sorbents are still very high. Hence, many reports have also shown that low-cost transition metal oxides (e.g., Co 3 O 4 , ZnO, MnO 2 , − Fe 2 O 3 , CuO, CoMnO 3 , and CaO , ) and spinel ferrite are suitable materials for the removal of Hg 0 .…”

Section: Introductionmentioning

confidence: 99%

Unveiling Adsorption Mechanisms of Elemental Mercury on Defective Boron Nitride Monolayer: A Computational Study

et al. 2018

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The control of mercury in flue gas is challenging, especially that of elemental mercury (Hg0). Recently, many researchers have focused on various mercury removal technologies. Here, by performing density functional theory (DFT) calculations, we systematically studied the adsorption of Hg0 on several experimentally available hexagonal boron nitride (h-BN) nanosheets with no defects, nitrogen vacancies (VN), boron vacancies (VB), and both nitrogen and boron vacancies (VN+B) as well as their structures and electronic properties. Our calculation results show that the presence of VN, VB, and VN+B enhances the adsorption energies of Hg0 by 9, 45, and 214 kJ/mol, respectively. Moreover, a more negative potential at the VB and VN+B sites makes the h-BN-VB and h-BN-VN+B surfaces more reactive than those of h-BN and h-BN-VN. The partial density of states analysis reveals that the Hg atom interacts firmly with surface B or/and N atoms through orbital hybridization. The trend of the equilibrium constant implies that adsorption of Hg0 on the h-BN-VN+B surface is beneficial at low temperature. Our computational studies reveal that defective h-BN nanosheets with VB and VN+B have great potential to serve as novel sorbents for the efficient removal of mercury in flue gas.

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Section: Introductionmentioning

confidence: 99%

Unveiling Adsorption Mechanisms of Elemental Mercury on Defective Boron Nitride Monolayer: A Computational Study

et al. 2018

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“…Since the elemental mercury (Hg 0 ) is volatile and water insoluble, removing it from the environment is of great difficulty in all species of mercury [7]. To date, activated carbon [8], calciumbased sorbents [9], fly ash [10], noble metals [11] and metal oxides [12][13][14] have been used for Hg 0 removal. Among these sorbents and catalysts, Co 3 O 4 -based materials capture researchers' attention because of high efficiency on mercury removal [15].…”

Section: Introductionmentioning

confidence: 99%

A DFT study of Hg0 adsorption on Co3O4 (1 1 0) surface

Shen

Tang

et al. 2016

Chemical Engineering Journal

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Spin polarized density functional theory calculation combined with periodic slabs were employed to reveal the elemental mercury (Hg 0) adsorption mechanism on Co 3 O 4 (1 1 0) surface. The adsorption energies and possible adsorption sites were investigated. To understand the adsorption interaction more directly, the electronic structural changes of before and after adsorption were compared. The hybridization of orbitals was studied by the partial density of states (PDOS) analysis. In addition, the temperature effects toward equilibrium constants of Hg 0-Co 3 O 4 system were taken into consideration. The results manifested that the interaction between Hg 0 and Co 3 O 4 (1 1 0) surface is chemisorption with-74.037kJ/mol. Co 3+ sites, the highest oxidation state of Co atoms, are crucial in this process which can accept the electrons after Hg oxidation. The redundant electrons transfer to O and other Co atoms nearby. PDOS analysis indicates the hybridization of s orbitals (Hg 0) and p, d orbitals (Co atom). And d orbitals of Hg interacts with s, p orbitals of Co atom strongly. The trends of equilibrium constants suggest that Hg 0 adsorption on Co 3 O 4 (1 1 0) surface is favorable at low temperature.

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“…At high temperatures, it is suggested that the Au catalyst has Hg 0 oxidation performance under Cl 2 conditions, in which HCl has a slight influence. , For Au-based catalysts, Hg 0 oxidation was examined via the L-H mechanism wherein the Hg 0 and Cl 2 (or HCl) species are separately adsorbed on the Au surface and HgCl 2 is the product . Similar to the Au-based catalysts, the Ag and Pd catalysts showed adsorption and catalytic oxidation at lower and higher temperatures, respectively. , Hg adsorption on small neutral and charged Ag n clusters was also investigated, and different carriers showed varied Hg 0 removal performances. , Ag is more affordable than Au, and some Ag-modified materials presented good adsorption capacity for Hg 0 when used at high temperatures. Nevertheless, the performance of these materials is highly dependent on its halogen-induced gas components. , However, Ru-based materials exhibit high Hg 0 oxidation performances without the presence of HCl, especially at high temperatures.…”

Section: Current Classification Of Solid Materialsmentioning

confidence: 99%

Heterogeneous Reaction Mechanisms and Functional Materials for Elemental Mercury Removal from Industrial Flue Gas

Hong

et al. 2021

ACS EST Eng.

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Gaseous elemental mercury (Hg0) is of increasing concern in industrial flue gases because of its difficult disposal. Currently, catalysis conversion and adsorption to oxidized species (Hg2+) and particle-bonded states (Hgp) are two common Hg0 disposal methods. While no clear boundary exists between these methods, the selection of technologies for practical applications highly depends on the gas temperature, mercury concentration, and gas components over a solid material. This review aims to describe some principles for solid material selection, discusses the heterogeneous reaction mechanisms for gaseous Hg0 conversion, classifies the various types of catalysts and sorbents, and summarizes their potential applications. Gaseous Hg0 undergoes interface physical adsorption, catalytic oxidation, and chemical adsorption processes. Overcoming the surface bonding energies can convert the Hg0 to Hg2+ via the catalytic process. Meanwhile, strong bonding energies can ensure chemical adsorption, resulting in mercury surface solidification. On this basis, the catalysts and sorbents materials, the reaction mechanism, and different types of solid materials were evaluated. We clearly discussed the reaction mechanism over different type of functional materials for Hg0 removal, to provide recommendations for studies to address concerns regarding laboratory-scale to full-scale applications. Moreover, some key parameters and a basic understanding of the practical applications were proposed.

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Understanding synergetic effect of TiO2-supported silver nanoparticle as a sorbent for Hg0 removal

Cited by 23 publications

References 51 publications

Unveiling Adsorption Mechanisms of Elemental Mercury on Defective Boron Nitride Monolayer: A Computational Study

Unveiling Adsorption Mechanisms of Elemental Mercury on Defective Boron Nitride Monolayer: A Computational Study

A DFT study of Hg0 adsorption on Co3O4 (1 1 0) surface

Heterogeneous Reaction Mechanisms and Functional Materials for Elemental Mercury Removal from Industrial Flue Gas

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