A comprehensive experimental and kinetic modeling study of 1- and 2-pentene

Shijun Dong, Kuiwen Zhang, Erik Ninnemann, Ahmed Najjar, Goutham Kukkadapu, Jessica Baker, Farhan Arafin, Zhandong Wang, William J. Pitz, Subith S. Vasu, Mani Sarathy, Peter K. Senecal, Henry J. Curran

Research output: Contribution to journalArticlepeer-review

45 Scopus citations


1- and 2-pentene are components in gasoline and are also used as representative alkene components in gasoline surrogate fuels. Most of the available ignition delay time data in the literature for these fuels are limited to low pressures, high temperatures and highly diluted conditions, which limits the kinetic model development and validation potential of these fuels. Therefore, ignition delay time measurements under engine-like conditions are needed to provide target data to understand their low-temperature fuel chemistry and extend their chemical kinetic validation to lower temperatures and higher pressures. In this study, both a high-pressure shock tube and a rapid compression machine have been employed to measure ignition delay times of 1- and 2-pentene over a wide temperature range (600–1300 K) at equivalence ratios of 0.5, 1.0 and 2.0 in ‘air’, and at pressures of 15 and 30 atm. At high-temperatures (> 900 K), the experimental ignition delay times show that the fuel reactivities of 1- and 2-pentene are very similar at all equivalence ratios and pressures. However, at low temperatures, 1-pentene shows negative temperature coefficient behavior and a higher fuel reactivity compared to 2-pentene. Moreover, carbon monoxide time-histories for both 1- and 2-pentene were measured in a high-pressure shock tube for a stoichiometric mixture at 10 atm and at high temperatures. Furthermore, species versus temperature profiles were measured in a jet-stirred reactor at φ = 1.0 and 1 atm over a temperature range of 700–1100 K. All of these experimental data have been used to validate the current chemistry mechanism. Starting from a published pentane mechanism, modifications have been made to the 1- and 2-pentene sub-mechanisms resulting in overall good predictions. Moreover, flux and sensitivity analyses were performed to highlight the important reactions involved in the oxidation process.
Original languageEnglish (US)
Pages (from-to)166-180
Number of pages15
JournalCombustion and Flame
StatePublished - Oct 15 2020

Bibliographical note

KAUST Repository Item: Exported on 2020-10-23
Acknowledgements: The authors at NUI Galway recognize funding support from Science Foundation Ireland (SFI) via project number 16/SP/3829 and also funding from Computational Chemistry LLC. The work at LLNL was performed under the auspices of the U.S. Department of Energy (DOE) by Lawrence Livermore National Laboratory under Contract DE-AC52-07NA27344 and was conducted as part of the Co-Optimization of Fuels & Engines (Co-Optima) project sponsored by the DOE Office of Energy Efficiency and Renewable Energy (EERE), Bioenergy Technologies and Vehicle Technologies Offices. The work at KAUST was supported by the KAUST Clean Fuels Consortium (KCFC) via its Office of Sponsored Research and member companies. This work at UCF was conducted as part of the Co-Optimization of Fuels & Engines (Co-Optima) project sponsored by the U.S. Department of Energy (DOE) Office of Energy Efficiency and Renewable Energy (EERE) [grant numbers DE-EE007982, DE-EE007984]. This report was prepared as an account of work sponsored by an agency of the United States Government. Neither the United States Government nor any agency thereof, nor any of their employees, makes any warranty, express or implied, or assumes any legal liability or responsibility for the accuracy, completeness, or usefulness of any information, apparatus, product, or process disclosed, or represents that its use would not infringe privately owned rights. Reference herein to any specific commercial product, process, or service by trade name, trademark, manufacturer, or otherwise does not necessarily constitute or imply its endorsement, recommendation, or favoring by the United States Government or any agency thereof. The views and opinions of authors expressed herein do not necessarily state or reflect those of the United States Government or any agency thereof.


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