The Role of Active Sites of CoH-ZSM-5 Catalysts for the C2H4-SCR of NO

Chen, Xiaomei; Zhu, Ai‐Min; Au, Chak Tong; Yang, Xuefeng; Shi, Chuan

doi:10.1007/s10562-010-0270-y

Cited by 4 publications

(1 citation statement)

References 30 publications

(58 reference statements)

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“…Cu-zeolites were studied as catalysts for a spectrum of related environmental processes, such as N 2 O decomposition and N 2 O selective catalytic reduction (SCR), for direct NO decomposition as well as for SCR of NO x using various reducing agents . Co-zeolites are currently the most viable catalysts for effectively reducing NO x by methane without producing N 2 O or CO byproducts in oxygen-rich streams. − Besides methane, propane can be used as a reducing agent in the Co-zeolite-catalyzed C 3 H 8 -SCR-NO x process …”

Section: Introductionmentioning

confidence: 99%

Effect of the Al Siting on the Structure of Co(II) and Cu(II) Cationic Sites in Ferrierite. A Periodic DFT Molecular Dynamics and FTIR Study

et al. 2013

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Periodic DFT molecular dynamics and FTIR spectroscopy were used to investigate the cationic sites of ferrierite exchanged with Co(II) and Cu(II) and their complexes with NO. Particular attention was paid to the effect of the Al siting in sixmembered rings forming the cationic sites on the structure of these sites and the corresponding binding energies of Me(II) (Me = Co and Cu). Our calculations show that both the cations upon binding to cationic sites induce a rearrangement of the local structure of the zeolite framework. The rearrangement is significant for the α and β-2 sites while it is minor for the β-1 site. Comparison of the observed and theoretical NO stretching frequencies of ferrierite Co(II) and Cu(II) complexes with a NO molecule permitted the assignment of IR bands to the individual types of cationic sites. For NO-Coferrierite, the IR bands found at 1956, 1941, and 1935 cm −1 can be assigned to NO-Co complexes with Co(II) located in the α, β-1, and β-2 sites, respectively. Similarly for NO-Cu-ferrierite, the frequencies of 1864, 1912, 1904, and 1892 cm −1 belong to NO-Cu complexes having Cu(II) accommodated in the α, β-1, β-2 (conformer 1), and β-2 (conformer 2) sites, respectively. The calculated adsorption energies are systematically higher for Co(II) than for Cu(II) for all the three sites and are in the order α > β-2 > β-1 for both the cations. Our computational results further reveal that upon binding Me(II) both the local structure of the zeolite framework as well as the binding energies of Me(II) strongly depend on the Al siting in the rings forming the cationic sites. The calculated relative binding energies of Me(II) are in the order β-1 > β-2 > α for both the cations. The general tendency of Me(II) accommodated in a cationic site to react is inversely proportional to the corresponding binding energies. We also showed that FTIR spectroscopy of complexes of NO and Me(II)-exchanged ferrierite can serve to identify the Al siting in the sixmembered rings forming cationic sites.

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Section: Introductionmentioning

confidence: 99%

Effect of the Al Siting on the Structure of Co(II) and Cu(II) Cationic Sites in Ferrierite. A Periodic DFT Molecular Dynamics and FTIR Study

et al. 2013

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Activated carbons from waste biomass and low rank coals as catalyst supports for hydrogen production by methanol decomposition

Tsyntsarski

Stoycheva

Tsoncheva

et al. 2015

Fuel Processing Technology

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Activated carbons with different textural and chemical surface characteristics were synthesized from waste biomass and low rank coals, and furthermore used as a host matrix for cobalt species, varying the preparation and modification methods. The obtained activated carbons and modified samples were characterized by complex of various physicochemical methods, such as: low temperature physisorption of nitrogen, XRD, EPR, XPS, UV-Vis and TPR with hydrogen. Boehm method was applied for qualitative and quantitative determination of oxygen-containing groups on the carbon surface before and after cobalt deposition. The catalytic properties of cobalt modifications were tested in methanol decomposition. The dominant effect of activated carbon texture over the surface chemistry on the state and catalytic behaviour of cobalt species was discussed.

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Structure and mechanistic relevance of Ni2+–NO adduct in model HC SCR reaction over NiZSM-5 catalyst – Insights from standard and correlation EPR and IR spectroscopic studies corroborated by molecular modeling

Pietrzyk

Góra‐Marek

Mazur

et al. 2021

Journal of Catalysis

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The Role of Active Sites of CoH-ZSM-5 Catalysts for the C2H4-SCR of NO

Cited by 4 publications

References 30 publications

Effect of the Al Siting on the Structure of Co(II) and Cu(II) Cationic Sites in Ferrierite. A Periodic DFT Molecular Dynamics and FTIR Study

Effect of the Al Siting on the Structure of Co(II) and Cu(II) Cationic Sites in Ferrierite. A Periodic DFT Molecular Dynamics and FTIR Study

Activated carbons from waste biomass and low rank coals as catalyst supports for hydrogen production by methanol decomposition

Structure and mechanistic relevance of Ni2+–NO adduct in model HC SCR reaction over NiZSM-5 catalyst – Insights from standard and correlation EPR and IR spectroscopic studies corroborated by molecular modeling

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