An updated comprehensive chemical kinetic model of C8-C20 n-alkanes

Goutham Kukkadapu, Scott W. Wagnon, Marco Mehl, Kuiwen Zhang, Charles K. Westbrook, William J. Pitz, M. J. McNenly, Mani Sarathy, Anne Rodriguez, Olivier Herbinet, Frédérique Battin-Leclerc, Chih Jen Sung

Research output: Chapter in Book/Report/Conference proceedingConference contribution

7 Scopus citations


Large n-alkanes are important reference components in the formulation of surrogates for Jet and Diesel fuels. This work focuses on the kinetics of n-alkanes larger than n-heptane with carbon chain length varying between 8 (n-octane) to 20 (n-eicosane) through newly acquired experimental data and detailed kinetic modeling. Extending the previous work by Zhang et al. on n-heptane, recent literature quantum chemical calculations have been used to generate a new set of consistent reaction rate rules for large alkanes. Based on these rules, the existing LLNL kinetic mechanisms for large n-alkanes has been revised and the model results have been compared to literature data and new stirred reactor experiments including important low temperature oxidation intermediates. The optimized model had generally been found to perform a good job against experimental data from current study and archived shock tube, and jet stirred reactor data in the literature.
Original languageEnglish (US)
Title of host publication10th U.S. National Combustion Meeting
PublisherEastern States Section of the Combustion Institute
StatePublished - Jan 1 2017

Bibliographical note

KAUST Repository Item: Exported on 2020-12-30
Acknowledgements: The work at LLNL is supported by the U.S. Department of Energy, Office of Energy Efficiency and Renewable Energy, Vehicle Technologies Office (program managers Gurpreet Singh and Leo Breton) and performed under the auspices of the U.S. Department of Energy by Lawrence Livermore National Laboratory under Contract DE-AC52-07NA27344. C. J. Sungwould like to thank the support from National Science Foundation under Grant No. CBET-1402231.The work at KAUST was supported by Saudi Aramco under the FUELCOM program and by the King Abdullah University of Science and Technology (KAUST) with competitive research funding given to the Clean Combustion Research Center (CCRC).The work At LRGP was supported by COST Action CM1404.


Dive into the research topics of 'An updated comprehensive chemical kinetic model of C8-C20 n-alkanes'. Together they form a unique fingerprint.

Cite this