Catalytic cycle of the partial oxidation of methane to methanol over Cu-ZSM-5 revealed using DFT calculations

2021 ◽  
Vol 23 (8) ◽  
pp. 4963-4974
Author(s):  
Xi Yu ◽  
Liangshu Zhong ◽  
Shenggang Li
Keyword(s):  
Dft Calculations ◽  
Methane Oxidation ◽  
Partial Oxidation ◽  
Active Sites ◽  
Partial Oxidation Of Methane ◽  
Catalytic Cycle ◽  
Oxidation Of Methane

Methane oxidation to methanol over Cu-ZSM-5 is found using DFT calculations to involve both [Cu2(O2)]2+ and [Cu2(μ-O)]2+ active sites.

scholarly journals Oscillatory Behaviour of Ni Supported on ZrO2 in the Catalytic Partial Oxidation of Methane as Determined by Activation Procedure

Materials ◽  
2021 ◽  
Vol 14 (10) ◽  
pp. 2495
Author(s):  
Daniela Pietrogiacomi ◽  
Maria Cristina Campa ◽  
Ida Pettiti ◽  
Simonetta Tuti ◽  
Giulia Luccisano ◽  
...  
Keyword(s):  
Catalytic Activity ◽  
Partial Oxidation ◽  
Active Sites ◽  
Direct Reduction ◽  
Partial Oxidation Of Methane ◽  
Catalytic Partial Oxidation ◽  
Oxidation Of Methane ◽  
Short Contact Time ◽  
Oxidation Reduction ◽  
Ni Species

Ni/ZrO2 catalysts, active and selective for the catalytic partial oxidation of methane to syngas (CH4-CPO), were prepared by the dry impregnation of zirconium oxyhydroxide (Zhy) or monoclinic ZrO2 (Zm), calcination at 1173 K and activation by different procedures: oxidation-reduction (ox-red) or direct reduction (red). The characterization included XRD, FESEM, in situ FTIR and Raman spectroscopies, TPR, and specific surface area measurements. Catalytic activity experiments were carried out in a flow apparatus with a mixture of CH4:O2 = 2:1 in a short contact time. Compared to Zm, Zhy favoured the formation of smaller NiO particles, implying a higher number of Ni sites strongly interacting with the support. In all the activated Ni/ZrO2 catalysts, the Ni–ZrO2 interaction was strong enough to limit Ni aggregation during the catalytic runs. The catalytic activity depended on the activation procedures; the ox-red treatment yielded very active and stable catalysts, whereas the red treatment yielded catalysts with oscillating activity, ascribed to the formation of Niδ+ carbide-like species. The results suggested that Ni dispersion was not the main factor affecting the activity, and that active sites for CH4-CPO could be Ni species at the boundary of the metal particles in a specific configuration and nuclearity.

scholarly journals Lanthanum modified Fe-ZSM-5 zeolites for selective methane oxidation with hydrogen peroxide

2021 ◽  
Author(s):  
Songmei Sun ◽  
Alexandra Barnes ◽  
Xiaoxiao Gong ◽  
Richard Lewis ◽  
Nicholas F. Dummer ◽  
...  
Keyword(s):  
Hydrogen Peroxide ◽  
Methane Oxidation ◽  
Partial Oxidation ◽  
Partial Oxidation Of Methane ◽  
Ambient Conditions ◽  
Oxidation Of Methane

Selective partial oxidation of methane to methanol under ambient conditions is a great challenge in chemistry. Iron modified ZSM-5 catalysts are shown to be effective for this reaction using H2O2...

On the nature of active sites of silica based oxide catalysts in the partial oxidation of methane to formaldehyde

1995 ◽  
Vol 24 (3) ◽  
pp. 231-236 ◽  
Author(s):  
A. Parmaliana ◽  
F. Arena ◽  
F. Frusteri ◽  
D. Miceli ◽  
V. Sokolovskii
Keyword(s):  
Partial Oxidation ◽  
Active Sites ◽  
Oxide Catalysts ◽  
Partial Oxidation Of Methane ◽  
Oxidation Of Methane

Dual Role of Perovskite Hollow Fiber Membrane in the Methane Oxidation Reactions

2016 ◽  
pp. 385-430
Author(s):  
Serbia M. Rodulfo-Baechler
Keyword(s):  
Carbon Dioxide ◽  
Methane Oxidation ◽  
Partial Oxidation ◽  
Hollow Fiber Membrane ◽  
Hollow Fibre ◽  
Dual Role ◽  
Partial Oxidation Of Methane ◽  
Oxygen Flux ◽  
Oxidation Reactions ◽  
Oxidation Of Methane

The Mixed Ionic and Electronic Conducting (MIEC) membrane reactors are of interest because they have the potential to produce high purity oxygen from air at lower costs and provide a continuous oxygen supply to reactions or/and industrial processes. The study of the dual role oxygen flux and catalytic performance of the unmodified and Ni-coated La0.6Sr0.4Co0.2Fe0.8O3-d hollow fibre membranes (LSCF6428 HFM) in the methane oxidation reactions (i.e., partial oxidation of methane and methane combustion) by using air on lumen side and methane on shell side are shown in this chapter. The LSCF6428 HFM participates not only in the oxygen flux but also in the methane conversion to C2. A Ni-coated LSCF6428 HFM under lean O2/CH4 gradient (i.e., 0.5) showed the production of syngas, carbon dioxide and C2 products in agreement with the thermodynamic calculation. At rich O2/CH4 gradient (i.e., 1.0), the formation of carbon dioxide was facilitated. The main catalytic pathway at lean O2/CH4 gradient and H2 reduction treatment was partial oxidation of methane to C2 and syngas.

Rational Design of ZSM-5 Zeolite Containing High Concentration Single Fe Site Capable of Partial Oxidation of Methane with High Turnover Frequency

2021 ◽  
Author(s):  
Akira Oda ◽  
Koshiro Aono ◽  
Naoya Murata ◽  
Kazumasa Murata ◽  
Masazumi Yasumoto ◽  
...  
Keyword(s):  
Partial Oxidation ◽  
Active Site ◽  
Active Sites ◽  
Rational Design ◽  
Partial Oxidation Of Methane ◽  
Environmentally Benign ◽  
Turnover Frequency ◽  
High Concentration ◽  
High Turnover ◽  
Oxidation Of Methane

Iron-containing zeolite possesses an active site capable of low-temperature partial oxidation of methane using hydrogen peroxide as an environmentally benign oxidant. However, only a trace number of active sites has...

scholarly journals The Role of Active Sites Location in Partial Oxidation of Methane to Syngas for MCM-41 Supported Ni Nanoparticles

Catalysts ◽  
2019 ◽  
Vol 9 (7) ◽  
pp. 606 ◽  
Author(s):  
Chuanmin Ding ◽  
Junwen Wang ◽  
Yufeng Li ◽  
Qian Ma ◽  
Lichao Ma ◽  
...  
Keyword(s):  
Partial Oxidation ◽  
Active Sites ◽  
Catalytic Performance ◽  
Partial Oxidation Of Methane ◽  
Pore Channel ◽  
Impregnation Method ◽  
Ni Nanoparticles ◽  
Oxidation Of Methane ◽  
Supported Ni ◽  
Mcm 41

The supporting modes of active metal over mesoporous materials play an important role in catalytic performance. The location of Ni nanoparticles inside or outside the mesoporous channel of MCM-41 has a significant influence on the reactivity in partial oxidation of methane to syngas reaction. The characterization data using different techniques (Transmission Electron Microscope (TEM), X-Ray Diffraction (XRD), N2 adsorption-desorption, H2 Temperature-Programmed Reduction (H2-TPR), and Inductively Coupled Plasma (ICP)) indicated that nickel was located outside the mesoporous channels for the impregnation method (Ni/MCM-41), while nickel was encapsulated within MCM-41 via the one-step hydrothermal crystallization method (Ni-MCM-41). The nickel atoms were mainly dispersed predominantly inside the skeleton of zeolite. When the load amount of Ni increased, both of Ni species inside the skeleton or pore channel of zeolite increased, and the ordered structure of MCM-41 was destroyed gradually. Contributed by the strong interaction with MCM-41, the Ni particles of Ni-MCM-41 were highly dispersed with smaller particle size compared with supported Ni/MCM-41 catalyst. The Ni-MCM-41 displayed higher catalytic performance than Ni/MCM-41, especially 10% Ni-MCM-41 due to high dispersity of Ni. The confinement effect of MCM-41 zeolite also afforded high resistance of sintering and coking for 10% Ni-MCM-41 catalyst. Especially, 10% Ni-MCM-41 catalyst showed outstanding catalytic stability.

Partial oxidation of methane to formaldehyde over copper–molybdenum complex oxide catalysts

2021 ◽  
Author(s):  
Taiki Akiyama ◽  
Ryota Sei ◽  
Sakae Takenaka
Keyword(s):  
Methane Oxidation ◽  
Partial Oxidation ◽  
Complex Oxide ◽  
Oxide Catalysts ◽  
Partial Oxidation Of Methane ◽  
Molybdenum Complex ◽  
Oxidation Of Methane

The Cu3Mo2O9 catalyst forms formaldehyde selectively in the methane oxidation with O2 in the presence of water.

Partial oxidation of methane over bimetallic nickel–lanthanide oxides

2010 ◽  
Vol 489 (1) ◽  
pp. 316-323 ◽  
Author(s):  
Ana C. Ferreira ◽  
A.M. Ferraria ◽  
A.M. Botelho do Rego ◽  
António P. Gonçalves ◽  
M. Rosário Correia ◽  
...  
Keyword(s):  
Partial Oxidation ◽  
Partial Oxidation Of Methane ◽  
Lanthanide Oxides ◽  
Oxidation Of Methane
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