Development of a Reduced TPRF-E (Heptane/Isooctane/Toluene/Ethanol) Gasoline Surrogate Model for Computational Fluid Dynamic Applications in Engine Combustion and Sprays

Shamsudheen, Fabiyan Angikath; Li, Yang; Voice, Alexander K.; Yoo, Kwang Hee; Zhao, Ling; Pei, Yuanjiang; Badra, Jihad; Boehman, André L.; Sarathy, S. Mani

doi:10.4271/2022-01-0407

Cited by 3 publications

(1 citation statement)

References 49 publications

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“…In general, Liu et al include steps that account for the NTC behaviour and fuel decomposition. Our newly developed TPRFE model for gasoline 37 contains the reduced kinetics of iso-octane, n-heptane, toluene, and ethanol. The reduced TPRFE mechanism consists of 68 species and 325 reactions, developed based on reduction techniques using direct relation graph and isomer lumping methods.…”

Section: Reduced Mechanism Formulationmentioning

confidence: 99%

Impact of fuel surrogate formulation on the prediction of knock statistics in a single cylinder GDI engine

Fontanesi,

Shamsudheen,

Gonzalez

et al. 2023

International Journal of Engine Research

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The statistical tendency of an optically accessible single-cylinder direct-injection spark-ignition engine to undergo borderline/medium knocking combustion is investigated using 3D-CFD. Focus is made on the role of fuel surrogate formulation for the characterization of anti-knock quality and flame speed of the actual fuel. An in-house methodology is used to design surrogates able to emulate laminar flame speed and autoignition delay times of the injected fuel. Two different surrogates, characterized by increasing level of complexity, are compared. The most complex one (six components) improves the representation of the real fuel, highlighting the crucial role of accurate fuel kinetics to predict flame propagation and unburnt mixture reactivity. A devoted chemical mechanism including the oxidation pathways for all the species in the surrogate is also purposely developed for the current analysis. Knock is investigated using a proprietary statistical knock model (GruMo-UNIMORE Statistical Knock Model, GK-PDF), which can infer the probability of knocking events within a RANS formalism. Predicted statistical distributions are compared to measured counterparts. The proposed numerical/experimental comparison demonstrates the possibility to efficiently integrate complex-chemistry driven information in 3D-CFD combustion simulations without online solving chemical reactions: a combination of laminar flame speed correlations, ignition delay look-up tables, and a statistics-based knock model is adopted to estimate the percentage of knocking cycles in a GDI engine while limiting the computational cost of the simulations.

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Section: Reduced Mechanism Formulationmentioning

confidence: 99%

Impact of fuel surrogate formulation on the prediction of knock statistics in a single cylinder GDI engine

Fontanesi,

Shamsudheen,

Gonzalez

et al. 2023

International Journal of Engine Research

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Explicit equations for designing surrogate gasoline formulations containing ethanol, isopentane, n-heptane, isooctane and toluene

Kaliafetis,

Cracknell

2023

SAE Technical Paper Series

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<div class="section abstract"><div class="htmlview paragraph">It is useful for research purposes to define simple surrogate gasoline compositions that can replicate the chemical and physical properties of more complex mixtures. Ethanol is used in commercially available gasolines around the world as part of the pathway to the decarbonization of the transportation sector. In this study equations were developed to predict the Research Octane Number (RON), Motor Octane Number (MON) and Dry Vapour Pressure Equivalent (DVPE) of gasoline surrogates containing ethanol (10-25 vol%), isopentane, n-heptane, isooctane and toluene. The non-linear blending behaviour associated with ethanol is found to necessitate coefficients in the equations developed for MON that are a function of ethanol content, whereas surprisingly the equations for RON and DVPE do not need this added level of complexity. Using the equations developed the RON and DVPE of the ethanol-containing surrogates can be calculated using one set of coefficients for any ethanol concentration between 10 and 25 vol%. Calculating the MON of such surrogates requires different sets of coefficients for different ethanol concentrations.</div></div>

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Effects of Ethanol Blending on the Reactivity and Laminar Flame Speeds of Gasoline, Methanol-to-Gasoline, and Ethanol-to-Gasoline Surrogates

MacDonald,

Lopez Pintor,

Matsubara

et al. 2024

SAE Technical Paper Series

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<div class="section abstract"><div class="htmlview paragraph">Ethanol blending is one method that can be used to reduce knock in spark ignition engines by decreasing the autoignition reactivity of the fuel and modifying its laminar flame speed. In this paper, the effects of ethanol blending on knock propensity and flame speed of petroleum and low-carbon gasoline fuels is analyzed. To do so, surrogate fuels were formulated for methanol-to-gasoline (MTG) and ethanol-to-gasoline (ETG) based on the fuels’ composition, octane number, and select physical properties; and 0-D and 1-D chemical kinetics simulations were performed to investigate reactivity and laminar flame speed, respectively. Results of MTG and ETG were compared against those of PACE-20, a well-characterized surrogate for regular E10 gasoline.</div><div class="htmlview paragraph">Similarly to PACE-20, blending MTG and ETG with ethanol increases the fuel’s research octane number (RON) and sensitivity. The trends of the ethanol blending effects were slightly stronger with PACE-20 and MTG than with ETG, with 13.6% volume of ethanol necessary to reach a RON of 98 for MTG and 18.4% volume necessary for ETG. 1-D modeling of the flame speed showed that while ethanol has a faster flame speed than gasoline at pressures below 2.4 bar, the flame speed decreases at increasing pressure, with regular gasoline having a higher flame speed at pressures representative of combustion. Sensitivity analyses to identify the reactions and species relevant in controlling laminar flame speed showed that for ethanol, the active radicals in the flame decreased as pressure increased due to increasing methyl recombination leading to a decrease of the flame speed. For regular gasoline, the formation of active radicals increased with pressure due to increasing HCO decomposition leading to an increase in the flame speed.</div></div>

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Development of a Reduced TPRF-E (Heptane/Isooctane/Toluene/Ethanol) Gasoline Surrogate Model for Computational Fluid Dynamic Applications in Engine Combustion and Sprays

Cited by 3 publications

References 49 publications

Impact of fuel surrogate formulation on the prediction of knock statistics in a single cylinder GDI engine

Impact of fuel surrogate formulation on the prediction of knock statistics in a single cylinder GDI engine

Explicit equations for designing surrogate gasoline formulations containing ethanol, isopentane, n-heptane, isooctane and toluene

Effects of Ethanol Blending on the Reactivity and Laminar Flame Speeds of Gasoline, Methanol-to-Gasoline, and Ethanol-to-Gasoline Surrogates

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