Influence of drying and calcination temperatures for Ce-Cu-Al trimetallic composite catalyst on simultaneous removal H2S and PH3: Experimental and DFT studies

Wang, Yingxu; Lin, Qiang; Wang, Chi; Li, Kai; Sun, Xin; Song, Xin; Gao, Yangyan; Ning, Ping

doi:10.1016/j.jes.2020.12.001

Cited by 5 publications

(2 citation statements)

References 56 publications

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“…For the H2S molecule, the H-S bond was 1.377 Å and the H-S-H angle equaled 94.2°. The charges on the S and H atoms were −0.270 and 0.135 |e|, respectively, which were consistent with the reported literature [60][61][62]. For the SO2 molecule, the S-O bond was 1.610 Å and the O-S-O angle equaled 112.8°.…”

Section: Interaction Of Gases With the Cu2zn10o12 Structuresupporting

confidence: 89%

p-CuO/n-ZnO Heterojunction Structure for the Selective Detection of Hydrogen Sulphide and Sulphur Dioxide Gases: A Theoretical Approach

et al. 2021

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DFT calculations at the B3LYP/LanL2DZ level of theory were utilized to investigate the adsorption of H2S and SO2 gases on the electronic properties of CuO-ZnO heterojunction structures. The results were demonstrated from the standpoint of adsorption energies (Eads), the density of states (DOS), and NBO atomic charges. The obtained values of the adsorption energies indicated the chemisorption of the investigated gases on CuO-ZnO heterojunction. The adsorption of H2S and SO2 gases reduced the HOMO-LUMO gap in the Cu2Zn10O12 cluster by 4.98% and 43.02%, respectively. This reveals that the Cu2Zn10O12 cluster is more sensitive to the H2S gas than the SO2 gas. The Eads values for SO2 and H2S were −2.64 and −1.58 eV, respectively. Therefore, the Cu2Zn10O12 cluster exhibits a higher and faster response-recovery time to H2S than SO2. Accordingly, our results revealed that CuO-ZnO heterojunction structures are promising candidates for H2S- and SO2-sensing applications.

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Section: Interaction Of Gases With the Cu2zn10o12 Structuresupporting

confidence: 89%

p-CuO/n-ZnO Heterojunction Structure for the Selective Detection of Hydrogen Sulphide and Sulphur Dioxide Gases: A Theoretical Approach

et al. 2021

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“…For H 2 S, many removal technologies have been applied by different research groups including adsorption, the Claus process, and selective catalytic oxidation. − The oxidation of H 2 S to produce sulfur at a relatively low concentration is considered one of the most promising strategies to eliminate H 2 S due to its high reactivity, efficient removal ability, and mild reaction conditions. , Different from H 2 S, the elimination of COS is much more difficult owing to its relative chemical inertness. Many approaches have been developed to remove COS from gas, including hydrogenation conversion, oxidation conversion, adsorption, and catalytic hydrolysis. − With respect to the simultaneous removal of H 2 S and COS, the assembly technique such as hydrolysis plus adsorption is adopted in the industry, but COS hydrolysis catalysts can be easily disabled because of H 2 S oxidation, sulfate formation, and poisoning by HCl.…”

Section: Introductionmentioning

confidence: 99%

Resource Utilization of Spent Activated Coke as an Efficient Material for Simultaneous Removal of COS and H₂S

Liu

et al. 2022

Energy Fuels

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The desulfurization of blast furnace gas (BFG) is highly desired by iron and steel enterprises to realize its resource utilization with no environmental pollution. In this work, spent activated coke (SAC) modified by NaOH was innovatively reused as an efficient material for the removal of carbonyl sulfide (COS) and sulfuretted hydrogen (H 2 S) from BFG with admirable breakthrough sulfur capacities of 126.58 and 141.62 mg/g, respectively, and 100% removal efficiency of both COS and H 2 S could be reached with the total sulfur capacity of COS and H 2 S as high as 116.60 mg/g in the purification of the simulative BFG gas. The removal behaviors manifested that the removal process included catalytic hydrolysis of COS to H 2 S and subsequent oxidation of H 2 S to immobilize these sulfur species in the form of S 8 . The multiple structural characterizations (X-ray diffraction (XRD), scanning electron microscopy (SEM), Fourier transform infrared (FTIR), X-ray photoelectron spectroscopy (XPS), H 2 -temperature-programmed reduction (TPR)) further revealed that the surface carbonyl and pyridine/pyrrolic groups together with the loaded hydroxyl ion enhanced the COS hydrolysis and the subsequent oxidation of H 2 S. The modified SAC possessed much richer pore structures and active groups than either fresh activated coke (FAC) or high specific surface area activated carbon (HAC). At the same time, a recycling scheme suitable for SAC after removing H 2 S and COS was proposed. The demonstrated excellent simultaneous removal capacity of COS and H 2 S over the modified SAC will provide a promising technical route for desulfurization of BFG with high efficiency and low cost.

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Competitive adsorption and reaction mechanism on simultaneous catalytic removal of SO2, NO and Hg0 over CuO: Experimental and theoretical studies

Sun

Ning

Zhao

et al. 2021

Chemical Engineering Journal

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Influence of drying and calcination temperatures for Ce-Cu-Al trimetallic composite catalyst on simultaneous removal H2S and PH3: Experimental and DFT studies

Cited by 5 publications

References 56 publications

p-CuO/n-ZnO Heterojunction Structure for the Selective Detection of Hydrogen Sulphide and Sulphur Dioxide Gases: A Theoretical Approach

p-CuO/n-ZnO Heterojunction Structure for the Selective Detection of Hydrogen Sulphide and Sulphur Dioxide Gases: A Theoretical Approach

Resource Utilization of Spent Activated Coke as an Efficient Material for Simultaneous Removal of COS and H₂S

Competitive adsorption and reaction mechanism on simultaneous catalytic removal of SO2, NO and Hg0 over CuO: Experimental and theoretical studies

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Influence of drying and calcination temperatures for Ce-Cu-Al trimetallic composite catalyst on simultaneous removal H2S and PH3: Experimental and DFT studies

Cited by 5 publications

References 56 publications

p-CuO/n-ZnO Heterojunction Structure for the Selective Detection of Hydrogen Sulphide and Sulphur Dioxide Gases: A Theoretical Approach

p-CuO/n-ZnO Heterojunction Structure for the Selective Detection of Hydrogen Sulphide and Sulphur Dioxide Gases: A Theoretical Approach

Resource Utilization of Spent Activated Coke as an Efficient Material for Simultaneous Removal of COS and H2S

Competitive adsorption and reaction mechanism on simultaneous catalytic removal of SO2, NO and Hg0 over CuO: Experimental and theoretical studies

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Resource Utilization of Spent Activated Coke as an Efficient Material for Simultaneous Removal of COS and H₂S