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Published April 1, 2018 | Accepted Version + Supplemental Material
Journal Article Open

An updated reaction model for the high-temperature pyrolysis and oxidation of acetaldehyde


Oxygenated biofuels such as fatty acid methyl esters or ethanol are incorporated in larger and larger amounts into conventional hydrocarbon fuels for use in internal combustion and jet engines. The use of these alternative fuels, along with new engine technology, results in an increased production of toxic pollutants among which aldehydes are the most abundant. The present study focuses on the kinetic modeling of acetaldehyde pyrolysis and oxidation. Based on new ignition delay-time measurements obtained in shock tube and the data from the literature, a comprehensive validation database was assembled. Available kinetic parameters for the most important chemical reactions are reviewed and an updated reaction model is proposed. The new reaction model enables reproducing most of the trends observed experimentally and constitutes an overall improvement as compared to standard detailed chemical models including Aramco 2.0, CaltechMech, and JetSurf.

Additional Information

© 2017 Elsevier Ltd. Received 2 October 2017, Revised 13 November 2017, Accepted 14 December 2017, Available online 2 January 2018. Karl Chatelain was supported by the "Conseil Régional du Centre" during his stay at Caltech. Discussions with Dr. F. Bernard (NOAA Boulder) and Dr. P. Boettcher (The Boeing Company) are greatly appreciated. The authors are grateful to Dr. R. Sivaramakrishnan (Argonne National Laboratory) for providing the reaction rates and thermodynamic data for the vinyl alcohol sub-mechanism. The authors would like to thank Pr G. Dayma (University of Orléans), Pr A. Konnov (Lund University), and Pr B. Yang (Tsinghua University), for providing respectively the JSR, flame speed, and flat burner data shown as Supplemental material.

Attached Files

Accepted Version - Acetaldehyde_Fuel_PrePrint.pdf

Supplemental Material - 1-s2.0-S0016236117316277-mmc1.pdf

Supplemental Material - 1-s2.0-S0016236117316277-mmc2.pdf

Supplemental Material - 1-s2.0-S0016236117316277-mmc3.pdf

Supplemental Material - 1-s2.0-S0016236117316277-mmc4.zip

Supplemental Material - 1-s2.0-S0016236117316277-mmc5.pdf

Supplemental Material - 1-s2.0-S0016236117316277-mmc6.pdf

Supplemental Material - 1-s2.0-S0016236117316277-mmc7.zip


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Additional details

August 21, 2023
October 18, 2023