Investigating the kinetic effect of prenol on iso-octane auto-ignition by means of an experimental and modeling study

Mergulhão, Carolina S.; Fenard, Yann; Kukkadapu, Goutham; Wagnon, Scott W.; Vanhove, Guillaume

doi:10.1016/j.fuel.2022.125225

Investigating the kinetic effect of prenol on iso-octane auto-ignition by means of an experimental and modeling study

Journal Article · Wed Jul 13 00:00:00 EDT 2022 · Fuel

DOI:https://doi.org/10.1016/j.fuel.2022.125225· OSTI ID:2007281

Mergulhão, Carolina S. ^[1]; Fenard, Yann ^[1]; Kukkadapu, Goutham ^[2]; Wagnon, Scott W. ^[2]; Vanhove, Guillaume ^[1]

Centre National de la Recherche Scientifique-Mixed Organizations (CNRS-UMR), Paris (France); Univ. Lille (France)
Lawrence Livermore National Laboratory (LLNL), Livermore, CA (United States)

A detailed experimental and kinetic modeling study was dedicated to understand the reported octane hyperboosting effect of prenol, by means of the measurement of the ignition delay times of its blends with iso-octane, and measurement of the mole fraction profiles of the fuels and intermediates inside the ULille rapid compression machine. Here, these results show that prenol addition leads to a reduction of the first-stage ignition phenomena and negative temperature coefficient behavior, which is only qualitatively captured by the model and is consistent with knock resistance improvement. It is suggested that this behavior is caused by two different factors. The first originates from gas-phase reactivity of prenol, and spans from the formation of unreactive unsaturated species through resonance-stabilized radicals, thereby constituting a competitive pathway for the radical pool generated by iso-octane. The second is of catalytic nature and cannot be captured by means of gas-phase kinetic modeling, but could also play an important role in the behavior of prenol in internal combustion engines.

View Accepted Manuscript (DOE)

Research Organization:: Lawrence Livermore National Laboratory (LLNL), Livermore, CA (United States)

Sponsoring Organization:: USDOE National Nuclear Security Administration (NNSA); USDOE Office of Energy Efficiency and Renewable Energy (EERE), Office of Sustainable Transportation. Bioenergy Technologies Office (BETO); USDOE Office of Energy Efficiency and Renewable Energy (EERE), Office of Sustainable Transportation. Vehicle Technologies Office (VTO)

Grant/Contract Number:: AC52-07NA27344

OSTI ID:: 2007281

Report Number(s):: LLNL--JRNL-830712; 1047188

Journal Information:: Fuel, Journal Name: Fuel Vol. 328; ISSN 0016-2361

Publisher:: ElsevierCopyright Statement

Country of Publication:: United States

Language:: English

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42 ENGINEERING
ignition delay
kinetic model
low-temperature combustion
octane number
prenol
surrogate fuel

Investigating the kinetic effect of prenol on iso-octane auto-ignition by means of an experimental and modeling study

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