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Performance of mechanisms and reactor models for methane oxidation on Rh
Author(s) -
Williams Kenneth A.,
Horn Raimund,
Schmidt Lanny D.
Publication year - 2007
Publication title -
aiche journal
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.958
H-Index - 167
eISSN - 1547-5905
pISSN - 0001-1541
DOI - 10.1002/aic.11244
Subject(s) - methane , syngas , stoichiometry , plug flow reactor model , chemistry , catalysis , partial oxidation , plug flow , partial pressure , atmospheric pressure , reaction mechanism , chemical reaction engineering , thermodynamics , chemical engineering , analytical chemistry (journal) , continuous stirred tank reactor , oxygen , environmental chemistry , meteorology , organic chemistry , physics , engineering
Abstract 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 1D 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 AIChE J, 2007