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  4. Performance of mechanisms and reactor models for methane oxidation on Rh
 
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Performance of mechanisms and reactor models for methane oxidation on Rh

Publikationstyp
Journal Article
Date Issued
2007-08-01
Sprache
English
Author(s)
Williams, Kenneth Arthur
Horn, Raimund  
Schmidt, Lanny D.
TORE-URI
https://hdl.handle.net/11420/46045
Journal
AIChE journal  
Volume
53
Issue
8
Start Page
2097
End Page
2113
Citation
AIChE Journal 53 (8): 2097-2113 (2007)
Publisher DOI
10.1002/aic.11244
Scopus ID
2-s2.0-34547650754
Publisher
Wiley
Numerical simulations of methane catalytic partial oxidation on Rh-coated foam monoliths were performed and tested against high-resolution species and temperature profiles measured along the catalyst axis. A systematic comparison considering 2D models with heat and mass transport and a ID reactor model with two multistep surface chemistry mechanisms is presented for feed conditions of 5 standard liters per minute, atmospheric pressure, and C/O ratios of 0.7, 1.0, and 1.3. Agreement between experimental data and the plug flow model and is for all conditions inferior to agreement with 2D models. 2D simulation profiles and the measured profiles agree qualitatively for all experimental conditions. Quantitative agreement is best for syngas stoichiometry (C/O = 1.0), while some differences are observed for C/O = 0.7 and 1.3. H 2 and CO production in the presence of O 2 is found to be strongly dependent on catalyst temperature. Accordingly, the importance of high-resolution spatial profiles for mechanism and reactor model validation is highlighted. © 2007 American Institute of Chemical Engineers.
Subjects
Catalytic partial oxidation
Methane
Numerical simulation
Rhodium
Surface mechanism
DDC Class
540: Chemistry
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