☆ 4.8 Article

Mechanism for SO2 poisoning of Cu-CHA during low temperature NH3-SCR

JOURNAL OF CATALYSIS (2023)

Related references

Note: Only part of the references are listed.

Article Engineering, Chemical

Insight into SO2 poisoning and regeneration of one-pot synthesized Cu-SSZ-13 catalyst for selective reduction of NOx by NH3

Xin Yong et al.

Summary: The effects of SO2 on the Cu-SSZ-13 catalyst for the selective reduction of NOx by NH3 were investigated. The addition of SO2 significantly inhibited the NOx conversion below 300 degrees C, primarily due to the site-blocking effect of (NH4)2SO4 on Cu2+. However, the deactivated catalyst could be partially recovered through thermal treatment and regeneration.

CHINESE JOURNAL OF CHEMICAL ENGINEERING (2022)

Add to Collection

Article Chemistry, Multidisciplinary

SO2 Poisoning of Cu-CHA deNOx Catalyst: The Most Vulnerable Cu Species Identified by X-ray Absorption Spectroscopy

Anastasia Yu Molokova et al.

Summary: The activity of Cu-CHA catalysts towards SO2 is heavily influenced by their coordination environment, with Cu-II species coordinated to both NH3 and extraframework oxygen exhibiting the highest reactivity. These results are important for understanding why SO2 significantly affects the low-temperature activity of Cu-CHA catalysts.

JACS AU (2022)

Add to Collection

Article Chemistry, Multidisciplinary

On the Redox Mechanism of Low-Temperature NH3-SCR over Cu-CHA: A Combined Experimental and Theoretical Study of the Reduction Half Cycle

Wenshuo Hu et al.

Summary: This study investigates the redox mechanism of Low-Temperature SCR on Cu-CHA using various techniques, proposing a Cu-II pair mediated pathway for the reduction half-cycle, challenging previous mechanistic proposals based on isolated Cu-II ions. The results highlight the important role of dinuclear Cu complexes in both oxidation and reduction reactions of Low-Temperature SCR.

ANGEWANDTE CHEMIE-INTERNATIONAL EDITION (2021)

Add to Collection

Article Chemistry, Physical

Regeneration of sulfur-poisoned Cu-SSZ-13 catalysts: Copper speciation and catalytic performance evaluation

Vitaly Mesilov et al.

Summary: Regeneration of sulfur-poisoned Cu-SSZ-13 catalyst via temperature ramp in an inert atmosphere followed by holding under oxidizing conditions at 500 degrees C restores significant activity for NOx conversion under different SCR conditions. Analysis of copper speciation shows different behavior of sulfur-free Cu species in fresh and regenerated catalysts, contributing to the development of regeneration strategies for Cu-SSZ-13 catalysts.

APPLIED CATALYSIS B-ENVIRONMENTAL (2021)

Add to Collection

Article Chemistry, Physical

First-Principles Calculations of Condition-Dependent Cu/Fe Speciation in Sulfur-Poisoned Cu- and Fe-SSZ-13 Catalysts

Vitaly Mesilov et al.

Summary: A combination of first-principles thermodynamics and density functional theory was used to predict sulfur-poisoned monomeric Cu/Fe species formed in the SSZ-13 catalyst framework. Differences in fresh and sulfur-poisoned species were found for Cu- and Fe-SSZ-13 catalysts containing different amounts of Al in 6-membered or 8-membered rings. The impact of ammonia concentration on Cu- and Fe-speciation was also investigated.

JOURNAL OF PHYSICAL CHEMISTRY C (2021)

Add to Collection

Article Chemistry, Physical

First-Principles Microkinetic Model for Low-Temperature NH3-Assisted Selective Catalytic Reduction of NO over Cu-CHA

Yingxin Feng et al.

Summary: The study shows that NH3-SCR on Cu-CHA is facilitated by NH3-solvated Cu sites, promoting the selective reduction of NO; NH3 adsorption inhibits the reaction at low temperatures; the successful formulation of a first-principles microkinetic model links kinetic behavior with materials properties.

ACS CATALYSIS (2021)

Add to Collection

Article Chemistry, Physical

Differences in oxidation-reduction kinetics and mobility of Cu species in fresh and SO2-poisoned Cu-SSZ-13 catalysts

Vitaly V. Mesilov et al.

Summary: The study revealed that the reduction of Cu-species in SO2-poisoned Cu-SSZ-13 catalyst was inhibited during heating/cooling, and the mobility of Cu-species was low when exposed to NH3-SCR related gases, unlike in the fresh catalyst. These observations help explain catalyst deactivation during the standard NH3-SCR reaction.

APPLIED CATALYSIS B-ENVIRONMENTAL (2021)

Add to Collection

Article Chemistry, Physical

Transient Kinetic Analysis of Low-Temperature NH3-SCR over Cu-CHA Catalysts Reveals a Quadratic Dependence of Cu Reduction Rates on CuII

Federica Gramigni et al.

Summary: NO and NH3 can readily reduce CuII at low temperatures according to a 1:1:1:1 stoichiometry over Cu-CHA catalysts. The reduction rates of Cu-II show a quadratic dependence on Cu-II, suggesting a dinuclear-Cu-II mediated RHC pathway. Water significantly inhibits the Cu-II reduction rate in the reaction cascade.

ACS CATALYSIS (2021)

Add to Collection

Article Chemistry, Physical

Theoretical Study on the NOx Selective Catalytic Reduction on Single-Cu Sites and Bronsted Acid Sites in Cu-SSZ-13

Tiago J. Goncalves et al.

Summary: The study reveals that single-Cu sites play a crucial role in the Cu-SSZ-13 catalyzed SCR process. For standard SCR, high barriers are required to catalyze the oxidation of NO to NO2, while in the fast SCR process, single-Cu sites exhibit lower barriers and show catalytic activity. Most elementary reactions take place on the single-Cu sites, but the formed intermediate is easily decomposed into N-2 and H2O on a Bronsted acid site.

JOURNAL OF PHYSICAL CHEMISTRY C (2021)

Add to Collection

Article Chemistry, Multidisciplinary

Mobility and Reactivity of Cu+ Species in Cu-CHA Catalysts under NH3-SCR-NOx Reaction Conditions: Insights from AIMD Simulations

Reisel Millan et al.

Summary: The migration of copper cations acting as active sites for selective catalytic reduction of nitrogen oxides in Cu-CHA catalysts is temperature and feed composition-dependent. Diffusion of [Cu(NH3)(2)](+) complexes is hindered by excess NH3 or NO in the initial cavity, as well as modified by the presence of O-2. This study provides evidence for the presence of two different reaction mechanisms at low and high temperatures in SCR reactions.

JACS AU (2021)

Add to Collection

Article Chemistry, Physical

A Complete Multisite Reaction Mechanism for Low-Temperature NH3-SCR over Cu-CHA

Lin Chen et al.

ACS CATALYSIS (2020)

Add to Collection

Article Engineering, Environmental

Insight into the SO2 poisoning mechanism for NOx removal by NH3-SCR over Cu/LTA and Cu/SSZ-13

Aiyong Wang et al.

CHEMICAL ENGINEERING JOURNAL (2020)

Add to Collection

Article Chemistry, Multidisciplinary

Structure and Reactivity of Oxygen-Bridged Diamino Dicopper(II) Complexes in Cu-Ion-Exchanged Chabazite Catalyst for NH3-Mediated Selective Catalytic Reduction

Chiara Negri et al.

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2020)

Add to Collection

Article Chemistry, Physical

Spectroscopic and kinetic responses of Cu-SSZ-13 to SO2 exposure and implications for NOx selective catalytic reduction

Arthur J. Shih et al.

APPLIED CATALYSIS A-GENERAL (2019)

Add to Collection

Article Chemistry, Physical

A comparative test of different density functionals for calculations of NH3-SCR over Cu-Chabazite

Lin Chen et al.

PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2019)

Add to Collection

Article Chemistry, Physical

Reversible and irreversible deactivation of Cu-CHA NH3-SCRcatalysts by SO2 and SO3

Peter S. Hammershoi et al.

APPLIED CATALYSIS B-ENVIRONMENTAL (2018)

Add to Collection

Article Chemistry, Physical

Importance of the Cu oxidation state for the SO2-poisoning of a Cu-SAPO-34 catalyst in the NH3-SCR reaction

Peter S. Hammershoi et al.

APPLIED CATALYSIS B-ENVIRONMENTAL (2018)

Add to Collection

Article Chemistry, Physical

Impact of SO2-poisoning over the lifetime of a Cu-CHA catalyst for NH3-SCR

Peter S. Hammershoi et al.

APPLIED CATALYSIS B-ENVIRONMENTAL (2018)

Add to Collection

Article Chemistry, Physical

Activation of oxygen on (NH3-Cu-NH3)+ in NH3-SCR over Cu-CHA

Lin Chen et al.

JOURNAL OF CATALYSIS (2018)

Add to Collection

Article Chemistry, Physical

Nature of Cu Active Centers in Cu-SSZ-13 and Their Responses to SO2 Exposure

Yasser Jangjou et al.

ACS CATALYSIS (2018)

Add to Collection

Article Chemistry, Physical

Monte Carlo Potential Energy Sampling for Molecular Entropy in Zeolites

Mikkel Jorgensen et al.

JOURNAL OF PHYSICAL CHEMISTRY C (2018)

Add to Collection

Review Chemistry, Physical

Zeolitic Materials for DeNOx Selective Catalytic Reduction

Ying Xin et al.

CHEMCATCHEM (2018)

Add to Collection

Article Chemistry, Physical

Time-resolved copper speciation during selective catalytic reduction of NO on Cu-SSZ-13

Adrian Marberger et al.

NATURE CATALYSIS (2018)

Add to Collection

Article Chemistry, Multidisciplinary

Selective Catalytic Reduction over Cu/SSZ-13: Linking Homo- and Heterogeneous Catalysis

Feng Gao et al.

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2017)

Add to Collection

Article Multidisciplinary Sciences

Dynamic multinuclear sites formed by mobilized copper ions in NOx selective catalytic reduction

Christopher Paolucci et al.

SCIENCE (2017)

Add to Collection

Article Chemistry, Physical

Effect of gas compositions on SO2 poisoning over Cu/SSZ-13 used for NH3-SCR

Kurnia Wijayanti et al.

APPLIED CATALYSIS B-ENVIRONMENTAL (2017)

Add to Collection

Article Chemistry, Physical

Periodic DFT Characterization of NOx Adsorption in Cu-Exchanged SSZ-13 Zeolite Catalysts

Trunojoyo Anggara et al.

JOURNAL OF PHYSICAL CHEMISTRY C (2016)

Add to Collection

Article Chemistry, Physical

Mechanism for Solid-State Ion Exchange of Cu+ into Zeolites

Lin Chen et al.

JOURNAL OF PHYSICAL CHEMISTRY C (2016)

Add to Collection

Article Chemistry, Multidisciplinary

The Cu-CHA deNOx Catalyst in Action: Temperature-Dependent NH3-Assisted Selective Catalytic Reduction Monitored by Operando XAS and XES

Kirill A. Lomachenko et al.

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2016)

Add to Collection

Article Chemistry, Multidisciplinary

Catalysis in a Cage: Condition-Dependent Speciation and Dynamics of Exchanged Cu Cations in SSZ-13 Zeolites

Christopher Paolucci et al.

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2016)

Add to Collection

Article Chemistry, Physical

Interaction of NH3 with Cu-SSZ-13 Catalyst: A Complementary FTIR, XANES, and XES Study

Filippo Giordanino et al.

JOURNAL OF PHYSICAL CHEMISTRY LETTERS (2014)

Add to Collection

Article Chemistry, Physical

What Makes Copper-Exchanged SSZ-13 Zeolite Efficient at Cleaning Car Exhaust Gases?

Florian Goeltl et al.

JOURNAL OF PHYSICAL CHEMISTRY LETTERS (2013)

Add to Collection

Article Chemistry, Applied

Thermal durability of Cu-CHA NH3-SCR catalysts for diesel NOx reduction

Steven J. Schmieg et al.

CATALYSIS TODAY (2012)

Add to Collection

Article Chemistry, Multidisciplinary

Two different cationic positions in Cu-SSZ-13?

Ja Hun Kwak et al.

CHEMICAL COMMUNICATIONS (2012)

Add to Collection

Article Chemistry, Physical

The ammonia selective catalytic reduction activity of copper-exchanged small-pore zeolites

Dustin W. Fickel et al.

APPLIED CATALYSIS B-ENVIRONMENTAL (2011)

Add to Collection

Article Chemistry, Physical

Accurate and efficient algorithm for Bader charge integration

Min Yu et al.

JOURNAL OF CHEMICAL PHYSICS (2011)

Add to Collection

Article Chemistry, Physical

Excellent activity and selectivity of Cu-SSZ-13 in the selective catalytic reduction of NOx with NH3

Ja Hun Kwak et al.

JOURNAL OF CATALYSIS (2010)

Add to Collection

Article Chemistry, Physical

A consistent and accurate ab initio parametrization of density functional dispersion correction (DFT-D) for the 94 elements H-Pu

Stefan Grimme et al.

JOURNAL OF CHEMICAL PHYSICS (2010)

Add to Collection

Article Chemistry, Physical

Improved tangent estimate in the nudged elastic band method for finding minimum energy paths and saddle points

G Henkelman et al.

JOURNAL OF CHEMICAL PHYSICS (2000)

Add to Collection

© Peeref 2019-2024. All rights reserved.