Catalytic combustion of CVOCs over Cr Ti1- oxide catalysts

Sun, Wei; Gong, Binwei; Pan, Jun; Wang, Yangyang; Xia, Hangqi; Zhang, Hao; Dai, Qiguang; Wang, Li; Wang, Xingyi

doi:10.1016/j.jcat.2020.08.007

Cited by 41 publications

(19 citation statements)

References 49 publications

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“…Therefore, how to efficiently control the generation of chlorine-containing intermediates is a critical issue to be solved for an environmental-friendly CVOC purification . Cr- and V-based catalysts have been proven to be potentially effective in alleviating the formation of chlorine-containing byproducts in CVOC destruction. , However, the intrinsic environmental and biological toxicity of Cr and V metals greatly restricts their practical applications. Alternatively, Ru species has the superior ability to remove surface adsorbed Cl species during CVOC destruction, lessening the formation of polychlorinated byproducts and surface chlorinated species (e.g., RuOCl x ), as well as enhancing the reaction stability and Cl-poisoning resistance. − Meanwhile, it is unfortunately noticed that the weak metal–support interaction between Ru and support is usually ignored.…”

Section: Introductionmentioning

confidence: 99%

Engineering Ru/MnCo₃O_x for 1,2-Dichloroethane Benign Destruction by Strengthening C–Cl Cleavage and Chlorine Desorption: Decisive Role of H₂O and Reaction Mechanism

et al. 2022

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Effective desorption of chlorine species is critical for hindering the formation of chlorinated intermediates in the catalytic destruction of chlorinated volatile organic compounds (CVOCs). Here, Ru/MnCo3O x catalysts with excellent activity, reaction durability and superior chlorine transformation ability for 1,2-dichloroethane (1,2-DCE) destruction were rationally fabricated. The presence of Ru facilitates the electron transfer among Ru, Mn, Co, and O species, forming larger amounts of Ru6+/Ru4+, Mn4+, Co2+, and active oxygen species (O2–), and therefore promoting the catalytic activity via accelerating and strengthening the cleavage of the C–Cl bond at low temperatures. However, Ru species plays a neutral role in the desorption of surface chlorine species under dry conditions and the polychlorinated byproducts such as CH2Cl2, CHCl3, CCl4, CH2ClCHCl2, and CHClCCl2 are inevitably formed. Interestingly, the desorption of chlorine species over Ru-based catalysts can be dramatically promoted under humid conditions, suppressing the formation of hazardous polychlorinated byproducts effectively (over 3 times lower under 2 vol % of water vapor conditions than the dry conditions). Results reveal that the presence of Ru enables Cl species transformation and dissociation over the catalyst surface that fosters the destruction of 1,2-DCE on adjacent Mn/Co sites under humid conditions, providing a rationale for high catalytic activity of the catalysts and paving the way for industrially relevant CVOC benign destruction.

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Section: Introductionmentioning

confidence: 99%

Engineering Ru/MnCo₃O_x for 1,2-Dichloroethane Benign Destruction by Strengthening C–Cl Cleavage and Chlorine Desorption: Decisive Role of H₂O and Reaction Mechanism

et al. 2022

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“…26 Sun believes that the high activity of Cr is related to its own mixed valence state and strong Lewis acid site. 27 Ma et al studied and prepared the NiFe-LDH precursor, reacted with the precursor and potassium dichromate, and finally calcined to form the Fe 2 O 3 -NiO-Cr 2 O 3 composite material as a catalyst for removing dyes from wastewater. 28 The results showed that chromate was exchanged on the surface and between layers, when LDH was calcined, Cr was trapped in the composite and showed excellent activity during dye removal.…”

Section: Introductionmentioning

confidence: 99%

Catalytic activity and stability of a Cr modified Co–Fe LDO catalyst in the simultaneous catalytic reduction of NOx and oxidation of o-DCB

Xing

Zhang

et al. 2022

New J. Chem.

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“…A catalyst can increase or decrease the chemical reaction rate without changing its chemical properties and does not change the chemical equilibrium. Therefore, catalysts are widely used in numerous fields, like electroreduction [1][2][3], chemical formation [4,5], combustion [6][7][8], and environmental conservation [9][10][11]. There are many kinds of catalysts, such as metal catalysts, metal oxide catalysts, molecular sieve catalyst [12], biocatalyst [13], and nano catalyst [14].…”

Section: Introductionmentioning

confidence: 99%

Molecular Dynamics and Machine Learning in Catalysts

Liu

Zhu

et al. 2021

Catalysts

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Given the importance of catalysts in the chemical industry, they have been extensively investigated by experimental and numerical methods. With the development of computational algorithms and computer hardware, large-scale simulations have enabled influential studies with more atomic details reflecting microscopic mechanisms. This review provides a comprehensive summary of recent developments in molecular dynamics, including ab initio molecular dynamics and reaction force-field molecular dynamics. Recent research on both approaches to catalyst calculations is reviewed, including growth, dehydrogenation, hydrogenation, oxidation reactions, bias, and recombination of carbon materials that can guide catalyst calculations. Machine learning has attracted increasing interest in recent years, and its combination with the field of catalysts has inspired promising development approaches. Its applications in machine learning potential, catalyst design, performance prediction, structure optimization, and classification have been summarized in detail. This review hopes to shed light and perspective on ML approaches in catalysts.

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Catalytic combustion of CVOCs over Cr Ti1- oxide catalysts

Cited by 41 publications

References 49 publications

Engineering Ru/MnCo₃O_x for 1,2-Dichloroethane Benign Destruction by Strengthening C–Cl Cleavage and Chlorine Desorption: Decisive Role of H₂O and Reaction Mechanism

Engineering Ru/MnCo₃O_x for 1,2-Dichloroethane Benign Destruction by Strengthening C–Cl Cleavage and Chlorine Desorption: Decisive Role of H₂O and Reaction Mechanism

Catalytic activity and stability of a Cr modified Co–Fe LDO catalyst in the simultaneous catalytic reduction of NOx and oxidation of o-DCB

Molecular Dynamics and Machine Learning in Catalysts

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Catalytic combustion of CVOCs over Cr Ti1- oxide catalysts

Cited by 41 publications

References 49 publications

Engineering Ru/MnCo3Ox for 1,2-Dichloroethane Benign Destruction by Strengthening C–Cl Cleavage and Chlorine Desorption: Decisive Role of H2O and Reaction Mechanism

Engineering Ru/MnCo3Ox for 1,2-Dichloroethane Benign Destruction by Strengthening C–Cl Cleavage and Chlorine Desorption: Decisive Role of H2O and Reaction Mechanism

Catalytic activity and stability of a Cr modified Co–Fe LDO catalyst in the simultaneous catalytic reduction of NOx and oxidation of o-DCB

Molecular Dynamics and Machine Learning in Catalysts

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Engineering Ru/MnCo₃O_x for 1,2-Dichloroethane Benign Destruction by Strengthening C–Cl Cleavage and Chlorine Desorption: Decisive Role of H₂O and Reaction Mechanism

Engineering Ru/MnCo₃O_x for 1,2-Dichloroethane Benign Destruction by Strengthening C–Cl Cleavage and Chlorine Desorption: Decisive Role of H₂O and Reaction Mechanism