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

1 Scopus citations

Abstract

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
Volume223
DOIs
StatePublished - Oct 15 2020

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