Plasma-Assisted Methane Combustion in Swirled-Flow Reactors: Experiments and Multiphysics Simulations

2016 ◽  
Author(s):  
Joseph W. Zimmerman ◽  
Rajavasanth Rajasegar ◽  
Constandinos M. Mitsingas ◽  
Andrew Palla ◽  
Darren King ◽  
...  
Keyword(s):  
Methane Combustion ◽  
Flow Reactors ◽  
Multiphysics Simulations ◽  
Swirled Flow

Combustion Driven by Fragment-based Ab Initio Molecular Dynamics Simulation

2019 ◽  
Author(s):  
Liqun Cao ◽  
Jinzhe Zeng ◽  
Mingyuan Xu ◽  
Chih-Hao Chin ◽  
Tong Zhu ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Ab Initio ◽  
Large Scale ◽  
Methane Combustion ◽  
Combustion Method ◽  
Dynamics Simulation ◽  
Ab Initio Molecular Dynamics ◽  
Computational Time ◽  
Combustion Mechanism ◽  
Daily Lives

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.

Droplet Factories: Synthesis and Assembly of Silver and Palladium Nanoparticles at the Liquid-Liquid Interface

2019 ◽  
Author(s):  
Suchanuch Sachdev ◽  
Rhushabh Maugi ◽  
Sam Davis ◽  
Scott Doak ◽  
Zhaoxia Zhou ◽  
...  
Keyword(s):  
Iron Oxide ◽  
Reaction Rate ◽  
Tertiary Structure ◽  
Flow Reactor ◽  
Pd Nanoparticles ◽  
Subsequent Removal ◽  
Immiscible Liquids ◽  
Flow Reactors ◽  
Droplet Flow ◽  
One Step

<div>The interface between two immiscible liquids represent an ideal substrate for the assembly of nanomaterials. The defect free surface provides a reproducible support for creating densely packed ordered materials. Here a droplet flow reactor is presented for the synthesis and/ or assembly of nanomaterials at the interface of the emulsion. Each droplet acts as microreactor for a reaction between decamethylferrocene (DmFc) within the hexane and metal salts (Ag+/ Pd2+) in the aqueous phase. The hypothesis was that a spontaneous, interfacial reaction would lead to the assembly of nanomaterials creating a Pickering emulsion. The subsequent removal of the solvents showed how the Ag nanoparticles were trapped at the interface and retain the shape of the droplet, however the Pd nanoparticles were dispersed with no tertiary structure. To further exploit this, a one-step process where the particles are synthesised and then assembled into core-shell materials was proposed. The same reactions were performed in the presence of oleic acid stabilise Iron oxide nanoparticles dispersed within the hexane. It was shown that by changing the reaction rate and ratio between palladium and iron oxide a continuous coating of palladium onto iron oxide microspheres can be created. The same reaction with silver, was unsuccessful and resulted in the silver particles being shed into solution, or incorporated within the iron oxide micro particle. These insights offer a new method and chemistry within flow reactors for the creation of palladium and silver nanoparticles. We use the technique to create metal coated iron oxide nanomaterials but the methodology could be easily transferred to the assembly of other materials.</div><div><br></div>

Methane Combustion over Pd/Al2O3 Catalyst: Effect of Cal-cination Temperature

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

Comparison of Isobutane/n-Butenes Alkylation over Y-Zeolite Catalyst in CSTR, Fixed Bed and Circulating Flow Reactors

2020 ◽  
Vol 10 (1-2) ◽  
pp. 58-72
Author(s):  
D. A. Sladkovskiy ◽  
K. V. Semikin ◽  
A. V. Utemov ◽  
S. P. Fedorov ◽  
E. V. Sladkovskaya ◽  
...  
Keyword(s):  
Zeolite Catalyst ◽  
Fixed Bed ◽  
Y Zeolite ◽  
Flow Reactors

Catalytic performance in methane combustion of rare-earth perovskites RECo0.50Mn0.50O3 (RE: La, Er, Y)

2011 ◽  
Vol 172 (1) ◽  
pp. 111-117 ◽  
Author(s):  
Gina Pecchi ◽  
Claudia Campos ◽  
Octavio Peña
Keyword(s):  
Rare Earth ◽  
Methane Combustion ◽  
Catalytic Performance

Exceptionally Stable Sol-immobilization Derived Pd/SBA-15 Catalyst for Methane Combustion

2021 ◽  
Author(s):  
Ramana Murthy Palle ◽  
Jing-Cai Zhang ◽  
Wei-Zhen Li
Keyword(s):  
High Temperatures ◽  
Methane Combustion ◽  
Thermally Stable ◽  
Sintering Effect

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...

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