Development and Validation of a Gasoline Surrogate Fuel Kinetic Mechanism

Hegheş, Crina; Morgan, Neal; Riedel, Uwe; Warnatz, Jürgen; Quiceno, R.; Cracknell, Roger

doi:10.4271/2009-01-0934

Cited by 5 publications

(7 citation statements)

References 26 publications

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“…This conclusion was also the same as that of Andrae et al [17], and denied the earlier conclusions of Andrae et al [22]. Heghes et al [18] put forward a detailed TRF model based on the model of Andrae et al [17]. Among them, the submechanism of toluene followed the recommendations of Dagaut et al [23], and the PRF mechanism was derived from Lawrence Livermore National Laboratory.…”

Section: Introductionmentioning

confidence: 68%

“…Recently, more and more researches have been carried out on the chemical kinetic mechanism of TRF fuels, shown in Tab. 1 and References [5][6][7][8][9][10][11][12][13][14][15][16][17][18][19][20][21]. Common validation experiments for the chemical kinetic mechanism include flow reactor (FR), rapid press machine (RCM), jetstirred reactor (JSR), shock tube (ST), laminar flame (LF), and homogenous charge compression ignition (HCCI) engine.…”

Section: Introductionmentioning

confidence: 99%

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A Reduced Chemical Kinetic Mechanism for Toluene Reference Fuels Based On DRGEP and QSSA Methods

et al. 2020

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As a gasoline surrogate fuel, the physical and chemical properties of toluene reference fuel (TRF) are relatively simple and stable, and the TRF chemical kinetic mechanism may be used in simulating combustion processes of gasoline. However, simulations using detailed or semi-detailed mechanisms have been limited due to the computational complexity and long computational time. For the construction of the reduced mechanism, the directed relation graph with error propagation (DRGEP) method is used to wipe out insignificant components efficiently, followed by the use of the quasi-steady state assumption (QSSA) method to separate quasi-steady-state (QSS) species from the kinetic ODEs. In addition, some elementary reactions involving the formation and destruction of H and phenyl methyl radicals are subjected to sensitivity analysis and some kinetic parameters of the relevant elementary reactions are revised. As a result, a reduced mechanism involving 234 reactions and 60 species is developed. Comparing the experimental records with the analog data by utilizing the reduced mechanism, good agreement can be obtained when ignition delay time (τ), laminar flame speed (SL) and molar fraction of vital species are measured. Moreover, the mechanism may predict SL more accurately under lean mixture (equivalence ratio φ < 1.0) conditions. The reduced mechanism is small and reliable in performance, which can commendably reproduce the combustion characteristics of gasoline surrogate.

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Section: Introductionmentioning

confidence: 68%

Section: Introductionmentioning

confidence: 99%

A Reduced Chemical Kinetic Mechanism for Toluene Reference Fuels Based On DRGEP and QSSA Methods

et al. 2020

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“…In traditional petroleum-based gasoline fuels, the oxygenated components are quite limited which can be neglected. The same consideration with previously proposed surrogate gasoline in literature [24][25][26][27][28][29], in the present work the surrogate gasoline composition only consisted of hydrocarbon fuels. Fractions of alkanes and aromatics compounds (i.e.…”

Section: Laminar Flame Speed Of Surrogate Gasolinementioning

confidence: 82%

“…However, commercial gasoline consists of hundreds or thousands chemical components and its composition varies among the different sites of production, a quantitative understanding of the role of the species composition on the laminar flame speed property is still complex to perform for the wide range of operating conditions similar with those encountered in real engines generally investigated. Therefore, utilization of component identified surrogate gasoline that can successfully reproduce the properties of commercial gasoline fuel is necessary [24][25][26][27][28][29]. In the present work, a surrogate gasoline to emulate the commercial gasoline consists of five pure components: hexane, 2, 3-dimethylbut-2-ene, cyclohexane, iso-octane and toluene is proposed.…”

Section: Introductionmentioning

confidence: 99%

Laminar flame speed of lignocellulosic biomass-derived oxygenates and blends of gasoline/oxygenates

Rossow

Modica

et al. 2017

Fuel

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“…Various groups have published reaction mechanisms that include C 2 H 5 OH. ,− Depending on the purpose, the reaction mechanisms can also include species such as n -heptane (C 7 H 16 ), iso-octane (C 8 H 18 ), or toluene (C 7 H 8 ), which can be used to model gasoline fuels. Reaction mechanisms that include these species are often large in terms of the number of species and reactions and therefore less suitable for computational fluid dynamics (CFD) or multizone simulation of, for example, engine processes.…”

Section: Introductionmentioning

confidence: 99%

Experimental Investigation of Ethanol Oxidation and Development of a Reduced Reaction Mechanism for a Wide Temperature Range

et al. 2021

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Rapid compression machine, shock-tube, plug-flow reactor, and heat-flux burner experiments were performed for stoichiometric and fuel-rich ethanol/air mixtures. The experimental ignition delay time conditions included temperatures from 801 to 1313 K at pressures of approximately 10, 20, and 40 bar. Species concentration profiles are measured in a range from 423 to 973 K at a pressure of 6 bar, and laminar burning velocities are measured in a range of 358–388 K at a pressure of 1 bar. The experimental results were simulated using the detailed reaction mechanism AramcoMech 3.0, showing that this mechanism is well suited even for the large range of experimental conditions covered in our work. Furthermore, a reduced mechanism was developed and validated with our experimental data. The sarting point for the reduced mechanism is an already existing reduced reaction mechanism (UCB Chen) for methane, ethane, and propane oxidations. Additional reactions for the ethanol subsystem were taken from AramcoMech 3.0. They were chosen according to their importance in representing the experimental data in simulations with the detailed AramcoMech 3.0, resulting in four additional species and 27 additional reactions. The performance of the reduced mechanism was compared against experimental results from this work, from the literature, and against simulations based on the detailed reaction mechanism. The reduced mechanism shows only minor differences in the results compared to the detailed AramcoMech 3.0. It reproduces very well experimentally with determined ignition delay times of ethanol/argon/nitrogen/oxygen mixtures with inert gas/oxygen ratios between 3.76 and 7.52 (molar), equivalence ratios between 1 and 2 in a temperature range from 848 to 1313 K, and pressures from 10 to 40 bar. Furthermore, it can also predict with a high accuracy laminar burning velocities and species profiles in plug-flow reactors.

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Development and Validation of a Gasoline Surrogate Fuel Kinetic Mechanism

Cited by 5 publications

References 26 publications

A Reduced Chemical Kinetic Mechanism for Toluene Reference Fuels Based On DRGEP and QSSA Methods

A Reduced Chemical Kinetic Mechanism for Toluene Reference Fuels Based On DRGEP and QSSA Methods

Laminar flame speed of lignocellulosic biomass-derived oxygenates and blends of gasoline/oxygenates

Experimental Investigation of Ethanol Oxidation and Development of a Reduced Reaction Mechanism for a Wide Temperature Range

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