A comprehensive iso-octane combustion model with improved thermochemistry and chemical kinetics

Atef, Nour; Kukkadapu, Goutham; Mohamed, Samah; Rashidi, Mariam Al; Banyon, Colin; Mehl, Marco; Heufer, Karl Alexander; Nasir, Ehson F.; Alfazazi, Adamu; Das, Apurba Kumar; Westbrook, Charles K.; Pitz, William J.; Lu, Tianfeng; Farooq, Aamir; Sung, Chih-Jen; Curran, Henry J.; Sarathy, S. Mani

doi:10.1016/j.combustflame.2016.12.029

Cited by 166 publications

(189 citation statements)

References 93 publications

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“…It may then be argued that the PRF model [42] overestimates the PRF 60 ignition delay time at high pressure (60 bar) and low temperatures. This deficiency may be attributed to the iso-octane chemistry which has recently been revised and presented in the form of an improved model [43]. [44,45].…”

Section: Ignition Delay Time Simulationsmentioning

confidence: 99%

Autoignition of straight-run naphtha: A promising fuel for advanced compression ignition engines

Alabbad

Issayev

Badra

et al. 2018

Combustion and Flame

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CitationAlabbad M, Issayev G, Badra J, Voice AK, Giri BR, et al. (2018) Autoignition of straight-run naphtha: A promising fuel for advanced compression ignition engines. Combustion and Flame 189: 337-346. Available: http://dx. AbstractNaphtha, a low-octane distillate fuel, has been proposed as a promising low-cost fuel for advanced compression ignition engine technologies. Experimental and modelling studies have been conducted in this work to assess autoignition characteristics of naphtha for use in advanced engines. Ignition delay times of a certified straight-run naphtha fuel, supplied by Haltermann Solutions, were measured in a shock tube and a rapid comparison machine over wide ranges of experimental conditions (20 and 60 bar, 620 -1223 K,  = 0.5, 1 and 2). The Haltermann straight-run naphtha (HSRN) has research octane number (RON) of 60 and motor octane number (MON) of 58.3, with carbon range spanning C3 -C9. Reactivity of HSRN was compared, via experiments and simulations, with three suitably formulated surrogates: a two-component PRF (n-heptane/iso-octane) surrogate, a threecomponent TPRF (toluene/n-heptane/iso-octane) surrogate, and a six-component surrogate. All surrogates reasonably captured the ignition delays of HSRN at high and intermediate temperatures. However, at low temperatures (T < 750 K), the six-component surrogate performed the best in emulating the reactivity of naphtha fuel. Temperature sensitivity and rate of production analyses revealed that the presence of cyclo-alkanes in naphtha inhibits the overall fuel reactivity. Zero-dimensional engine simulations showed that PRF is a good autoignition surrogate for naphtha at high engine loads, however, the six-component surrogate is needed to match the combustion phasing of naphtha at low engine loads.

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Section: Ignition Delay Time Simulationsmentioning

confidence: 99%

Autoignition of straight-run naphtha: A promising fuel for advanced compression ignition engines

Alabbad

Issayev

Badra

et al. 2018

Combustion and Flame

Self Cite

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“…It essentially solves the energy equation with a single phase homogenous charge. The Lawrence Livermore National Laboratory (LLNL) PRF+ethanol kinetic model [40] was employed, with an updated AramcoMech 2.0 based on C0-C4 chemistry [41] and iso-octane sub-mechanism from Atef et al [42]. The pressure trace was first matched for motoring cases, from the point of the intake valve closing to the point of peak motoring pressure.…”

Section: Chemical Kinetic Simulation Studymentioning

confidence: 99%

Simulating HCCI Blending Octane Number of Primary Reference Fuel with Ethanol

Singh¹,

Waqas²,

Johansson³

et al. 2017

SAE Technical Paper Series

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The blending of ethanol with primary reference fuel (PRF) mixtures comprising n-heptane and iso-octane is known to exhibit a non-linear octane response; however, the underlying chemistry and intermolecular interactions are poorly understood. Well-designed experiments and numerical simulations are required to understand these blending effects and the chemical kinetic phenomenon responsible for them. To this end, HCCI engine experiments were previously performed at four different conditions of intake temperature and engine speed for various PRF/ethanol mixtures. Transfer functions were developed in the HCCI engine to relate PRF mixture composition to autoignition tendency at various compression ratios. The HCCI blending octane number (BON) was determined for mixtures of 2-20 vol % ethanol with PRF70. In the present work, the experimental conditions were considered to perform zerodimensional HCCI engine simulations with detailed chemical kinetics for ethanol/PRF blends. The simulations used the actual engine geometry and estimated intake valve closure conditions to replicate the experimentally measured start of combustion (SOC) for various PRF mixtures. The simulated HCCI heat release profiles were shown to reproduce the experimentally observed trends, specifically on the effectiveness of ethanol as a low temperature chemistry inhibitor at various concentrations. Detailed analysis of simulated heat release profiles and the evolution of important radical intermediates (e.g., OH and HO 2 ) were used to show the effect of ethanol blending on controlling reactivity. A strong coupling between the low temperature oxidation reactions of ethanol and those of n-heptane and iso-octane is shown to be responsible for the observed blending effects of ethanol/PRF mixtures.

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“…To assess its ignition delays as a function of conditions of pressure and temperature, many studies were conducted on isooctane as fuel. In the present study, the kinetics scheme proposed by Atef et al [27] was used to find ignition delays of isooctane under typical HCCI conditions. The mechanism involves 2768 species and consists of 9220 reactions.…”

Section: Boundaries Of the Cfr Enginementioning

confidence: 99%

Autoignition of Isooctane beyond RON and MON Conditions

Masurier

Waqas

Sarathy

et al. 2018

SAE Int. J. Fuels Lubr.

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CitationMasurier J-B, Waqas M, Sarathy M, Johansson B (2018) Autoignition of isooctane beyond RON and MON conditions. SAE Technical Paper Series. Available: http:// dx. AbstractThe present study experimentally examines the low temperature autoignition area of isooctane within the in-cylinder pressure -incylinder temperature map.Experiments were run with the help of a CFR engine. The boundaries of this engine were extended so that experiments could be performed outside the domain delimited by RON and MON traces. Since HCCI combustion is governed by kinetics, the rotation speed for all the experiments was set at 600 rpm to allow time for low temperature heat release (LTHR). All the other parameters (intake pressure, intake temperature, compression ratio and equivalence ratio), were scanned, such as the occurrence of isooctane combustion.The principal results showed that LTHR for isooctane occurs effortlessly under high intake pressure (1.3 bar) and low intake temperature (25 °C). Increasing the intake temperature leads to the loss of the LTHR, and therefore to a smaller domain on the pressuretemperature trace. In such a case, the LTHR domain is restricted from 20 to 50 bar in pressure and from 600 to 850 K in temperature. By slightly decreasing the intake pressure, the LTHR domain remains unchanged, but the LTHR tends to disappear, and finally, at 1.0 bar, the LTHR domain ceases to exist. When the equivalence ratio is moved from 0.3 to 0.4, the LTHR domain is delimited in the same range of pressure and temperature, but the start of combustion occurs slightly earlier for the same pressure-temperature trace. Similar conclusions were drawn regarding the variation of both intake pressure and temperature, except that few LTHR points were observed under 1.0 bar intake.

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A comprehensive iso-octane combustion model with improved thermochemistry and chemical kinetics

Cited by 166 publications

References 93 publications

Autoignition of straight-run naphtha: A promising fuel for advanced compression ignition engines

Autoignition of straight-run naphtha: A promising fuel for advanced compression ignition engines

Simulating HCCI Blending Octane Number of Primary Reference Fuel with Ethanol

Autoignition of Isooctane beyond RON and MON Conditions

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