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

Mével, R. and Chatelain, K. and Blanquart, G. and Shepherd, J. E. (2018) An updated reaction model for the high-temperature pyrolysis and oxidation of acetaldehyde. Fuel, 217 . pp. 226-239. ISSN 0016-2361. https://resolver.caltech.edu/CaltechAUTHORS:20180404-101157691

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Abstract

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.


Item Type:Article
Related URLs:
URLURL TypeDescription
https://doi.org/10.1016/j.fuel.2017.12.060DOIArticle
ORCID:
AuthorORCID
Mével, R.0000-0002-0032-350X
Blanquart, G.0000-0002-5074-9728
Shepherd, J. E.0000-0003-3181-9310
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.
Group:GALCIT
Funders:
Funding AgencyGrant Number
Conseil Régional du CentreUNSPECIFIED
Subject Keywords:Acetaldehyde; Biofuels; Toxic pollutants; Kinetics modeling
Record Number:CaltechAUTHORS:20180404-101157691
Persistent URL:https://resolver.caltech.edu/CaltechAUTHORS:20180404-101157691
Official Citation:R. Mével, K. Chatelain, G. Blanquart, J.E. Shepherd, An updated reaction model for the high-temperature pyrolysis and oxidation of acetaldehyde, Fuel, Volume 217, 2018, Pages 226-239, ISSN 0016-2361, https://doi.org/10.1016/j.fuel.2017.12.060. (http://www.sciencedirect.com/science/article/pii/S0016236117316277)
Usage Policy:No commercial reproduction, distribution, display or performance rights in this work are provided.
ID Code:85593
Collection:CaltechAUTHORS
Deposited By: Tony Diaz
Deposited On:04 Apr 2018 17:20
Last Modified:25 Aug 2020 17:55

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