Validation and Updating of Detailed Kinetic Mechanisms: The Case of Ethane Oxidation

The authors have investigated experimentally the oxidation of ethane in a perfectly stirred reactor in the temperature range 870--1,080 K and for fuel-air stoichiometric ratio ranging from 0.25 to 1.27. The concentrations of the main molecular species have been measured by probe sampling and GC anal...

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Bibliographic Details
Published in:Industrial & engineering chemistry research 1994-11, Vol.33 (11), p.2540-2553
Main Authors: Rota, Renato, Bonini, Francesca, Servida, Alberto, Morbidelli, Massimo, Carra, Sergio
Format: Article
Language:English
Subjects:
02 PETROLEUM
ALKANES
CHEMICAL REACTION KINETICS
CHROMATOGRAPHY
COMBUSTION KINETICS
EQUATIONS
ETHANE
FUEL-AIR RATIO
GAS CHROMATOGRAPHY
HYDROCARBONS
KINETIC EQUATIONS
KINETICS
MATHEMATICAL MODELS
ORGANIC COMPOUNDS
PARAMETRIC ANALYSIS
REACTION KINETICS
SEPARATION PROCESSES 025000 > Petroleum-- Combustion
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Summary:The authors have investigated experimentally the oxidation of ethane in a perfectly stirred reactor in the temperature range 870--1,080 K and for fuel-air stoichiometric ratio ranging from 0.25 to 1.27. The concentrations of the main molecular species have been measured by probe sampling and GC analysis. These experimental results have been compared with predictions of three popular detailed kinetic mechanisms previously presented in the literature. A reasonable agreement between the experimental results and the model predictions has been found for almost all the species and the mechanisms. The only relevant exception is acetylene, which is greatly overpredicted by one of the mechanisms for all the investigated conditions. Parametric sensitivity analysis has been used for updating such a mechanism in order to improve the agreement with the experimental observations.
ISSN:0888-5885
1520-5045
DOI:10.1021/ie00035a004