Silica-Encapsulated Palladium Clusters for Methane Combustion Catalysis

2021 ◽  
Author(s):  
Sudheesh Kumar Veeranmaril ◽  
Miranda Lavier ◽  
Brianna Lukan ◽  
Jing Shen ◽  
Natalia Semagina ◽  
...  
2019 ◽  
Author(s):  
Liqun Cao ◽  
Jinzhe Zeng ◽  
Mingyuan Xu ◽  
Chih-Hao Chin ◽  
Tong Zhu ◽  
...  

Combustion is a kind of important reaction that affects people's daily lives and the development of aerospace. Exploring the reaction mechanism contributes to the understanding of combustion and the more efficient use of fuels. Ab initio quantum mechanical (QM) calculation is precise but limited by its computational time for large-scale systems. In order to carry out reactive molecular dynamics (MD) simulation for combustion accurately and quickly, we develop the MFCC-combustion method in this study, which calculates the interaction between atoms using QM method at the level of MN15/6-31G(d). Each molecule in systems is treated as a fragment, and when the distance between any two atoms in different molecules is greater than 3.5 Å, a new fragment involved two molecules is produced in order to consider the two-body interaction. The deviations of MFCC-combustion from full system calculations are within a few kcal/mol, and the result clearly shows that the calculated energies of the different systems using MFCC-combustion are close to converging after the distance thresholds are larger than 3.5 Å for the two-body QM interactions. The methane combustion was studied with the MFCC-combustion method to explore the combustion mechanism of the methane-oxygen system.


2011 ◽  
Vol 31 (11) ◽  
pp. 1363-1368
Author(s):  
Diannan GAO ◽  
Sheng WANG ◽  
Ying LIU ◽  
Chunxi ZHANG ◽  
Shudong WANG

2011 ◽  
Vol 172 (1) ◽  
pp. 111-117 ◽  
Author(s):  
Gina Pecchi ◽  
Claudia Campos ◽  
Octavio Peña

2005 ◽  
Vol 597 (1-3) ◽  
pp. 127-132 ◽  
Author(s):  
J. Meier ◽  
H. Kleine ◽  
U. Stimming

Author(s):  
Ramana Murthy Palle ◽  
Jing-Cai Zhang ◽  
Wei-Zhen Li

Pd-based catalysts are efficient for methane combustion but impractical at high temperatures due to sintering effect. Here in, we report a thermally stable Pd/SBA-15 catalyst that was prepared by using...


Catalysts ◽  
2021 ◽  
Vol 11 (7) ◽  
pp. 772
Author(s):  
Yanxiong Liu ◽  
Changhua Hu ◽  
Longchun Bian

The correlation between the occurrence state of surface Pd species of Pd/CeO2 for lean CH4 combustion is investigated. Herein, by using a reduction-deposition method, we have synthesized a highly active 0.5% PdO/CeO2-RE catalyst, in which the Pd nanoparticles are evenly dispersed on the CeO2 nanorods CeO2-R. Based on comprehensive characterization, we have revealed that the uniformly dispersed Pd nanoparticles with a particle size distribution of 2.3 ± 0.6 nm are responsible for the generation of PdO and PdxCe1−xO2−δ phase with –Pd2+–O2−–Ce4+– linkage, which can easily provide oxygen vacancies and facilitate the transfer of reactive oxygen species between the CeO2-R and Pd species. As a consequence, the remarkable catalytic activity of 0.5% Pd/CeO2-RE is related to the high concentration of PdO species on the surface of the catalyst and the synergistic interaction between the Pd species and the CeO2 nanorod.


2020 ◽  
Vol 9 (1) ◽  
pp. 734-743
Author(s):  
Ran Zhao ◽  
ZiChen Tian ◽  
Zengwu Zhao

AbstractBayan Obo tailings are rich in rare earth elements (REEs), iron, and other catalytic active substances. In this study, mine tailings were calcined at different temperatures and tested for the catalytic combustion of low-concentration methane. Upon calcination at 600°C, high catalytic activity was revealed, with 50% CH4 conversion at 587°C (space velocity of 12,000 mL/g h). The physicochemical properties of catalysts were characterized using thermogravimetric analysis, X-ray diffraction, scanning electron microscopy, hydrogen temperature-programmed reduction (H2-TPR), and X-ray photoelectron spectroscopy (XPS). Compared to the raw ore sample, the diffraction peak intensity of Fe2O3 increased post calcination, whereas that of CeCO3F decreased. A porous structure appeared after the catalyst was calcined at 600°C. Additionally, Fe, Ce, Ti, and other metal elements were more highly dispersed on the catalyst surface. H2-TPR results revealed a broadening of the reduction temperature range for the catalyst calcined at 600°C and an increase in the reduction peak. XPS analysis indicated the presence of Ce in the form of Ce3+ and Ce4+ oxidation states and the coexistence of Fe in the form of Fe2+ and Fe3+. Moreover, XPS revealed a higher surface Oads/Olatt ratio. This study provides evidence for the green reuse of Bayan Obo mine tailings in secondary resources.


Fuel ◽  
2021 ◽  
Vol 292 ◽  
pp. 120187
Author(s):  
Milena de Santana Santos ◽  
Roger Frety ◽  
Luciana Lisi ◽  
Stefano Cimino ◽  
Soraia Teixeira Brandão

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