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Research Papers: Gas Turbines: Combustion, Fuels, and Emissions

Development of a New Skeletal Chemical Kinetic Mechanism for Ethanol Reference Fuel

[+] Author and Article Information
O. Samimi Abianeh

Powertrain Virtual Analysis Department,
Chrysler Group LLC,
Auburn Hills, MI 48326
e-mail: os567@Chrysler.com; oabianeh@georgiasouthern.edu

1Corresponding author.

Contributed by the Combustion and Fuels Committee of ASME for publication in the JOURNAL OF ENGINEERING FOR GAS TURBINES AND POWER. Manuscript received July 2, 2014; final manuscript received October 19, 2014; published online December 9, 2014. Assoc. Editor: Song-Charng Kong.

J. Eng. Gas Turbines Power 137(6), 061501 (Jun 01, 2015) (9 pages) Paper No: GTP-14-1320; doi: 10.1115/1.4029055 History: Received July 02, 2014; Revised October 19, 2014; Online December 09, 2014

A new skeletal chemical kinetic mechanism of ethanol reference fuel (including ethanol, iso-octane, n-heptane, and toluene combustion mechanisms) consisting of 62 species and 194 reactions is developed for oxidation and combustion of gasoline blend surrogate fuels. The skeletal ethanol chemical kinetic mechanism is added to the toluene reference fuel (TRF) mechanism (including iso-octane, n-heptane, and toluene combustion mechanisms) using reaction paths and semidecoupling model. The ignition delay and laminar flame speed of the new combustion mechanism were modeled by using several fuel surrogates at different pressures, temperatures, and equivalence ratios. The skeletal chemical kinetic mechanism ignition delay and laminar flame speed are validated by comparison to the available experimental data of the shock tube and plate burner. The results indicate that satisfactory agreement between predictions and experimental measurements are achieved.

Copyright © 2015 by ASME
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References

Figures

Grahic Jump Location
Fig. 1

Ethanol reaction path

Grahic Jump Location
Fig. 2

Ignition delay of iso-octane at 16.8 bar and equivalence ratio of 1. Experimental data are from Davidson et al. [17]. Simulation mechanisms are from Liu at al. [1], Mehl et al. [2], and this work.

Grahic Jump Location
Fig. 3

Ignition delay of iso-octane at 49.4 bar and equivalence ratio of 1. Experimental data are from Davidson et al. [17]. Simulation mechanisms are from Liu at al. [1], Mehl et al. [2], and this work.

Grahic Jump Location
Fig. 4

Ignition delay of ethanol at 10 bar and equivalence ratio of 1. Experimental data are from Cancino et al. [18]. Simulation mechanisms are from Marinov [6] and this work.

Grahic Jump Location
Fig. 5

Ignition delay of ethanol at 30 bar and equivalence ratio of 1. Experimental data are from Cancino et al. [18]. Simulation mechanisms are from Marinov [6] and this work.

Grahic Jump Location
Fig. 6

Ignition delay of toluene at 17 bar and equivalence ratio of 1. Experimental data are from Shen et al. [19]. Simulation mechanisms are from Liu at al. [1] and Mehl et al. [2].

Grahic Jump Location
Fig. 7

Ignition delay of toluene at 47 bar and equivalence ratio of 1. Experimental data are from Shen et al. [19] and Davidson et al. [17]. Simulation mechanisms are from Liu at al. [1] and Mehl et al. [2].

Grahic Jump Location
Fig. 8

Ignition delay of n-heptane at 30 bar and equivalence ratio of 1. Simulation mechanisms are from Liu at al. [1] and Mehl et al. [2].

Grahic Jump Location
Fig. 9

Ignition delay of mixture of iso-octane (75% by volume) and ethanol (25% by volume) at 30 bar and equivalence ratio of 1. Experimental data are from Cancino et al. [18].

Grahic Jump Location
Fig. 10

Ignition delay of mixture of iso-octane (90% by volume) and n-heptane (10% by volume) at 40 bar and equivalence ratio of 1. Experimental data are from Fieweger et al. [20]. Simulation mechanisms are from Liu at al. [1] and this work.

Grahic Jump Location
Fig. 11

Ignition delay of mixture of iso-octane (80% by volume) and n-heptane (20% by volume) at 40 bar and equivalence ratio of 1. Experimental data are from Fieweger et al. [20]. Simulation mechanisms are from Liu at al. [1] and this work.

Grahic Jump Location
Fig. 12

Ignition delay of mixture of iso-octane (60% by volume) and n-heptane (40% by volume) at 40 bar and equivalence ratio of 1. Experimental data are from Fieweger et al. [20]. Simulation mechanisms are from Liu at al. [1] and this work.

Grahic Jump Location
Fig. 13

Ignition delay of mixture of iso-octane/toluene/n-heptane: 69%/14%/17% by volume at 25 bar and equivalence ratio of 1. Experimental data are from Gauthier et al. [21].

Grahic Jump Location
Fig. 14

Ignition delay of mixture of iso-octane/ethanol/n-heptane: 62%/20%/18% by volume at 10 bar and equivalence ratio of 1. Experimental data are from Fikri et al. [22].

Grahic Jump Location
Fig. 15

Ignition delay of mixture of iso-octane/ethanol/n-heptane: 62%/20%/18% by volume at 30 bar and equivalence ratio of 1. Experimental data are from Fikri et al. [22].

Grahic Jump Location
Fig. 16

Ignition delay of mixture of iso-octane/ethanol/n-heptane/toluene: 37.8%/40%/10.2%/12% by volume at 10 bar and equivalence ratio of 1. Experimental data are from Cancino et al. [18].

Grahic Jump Location
Fig. 17

Ignition delay of mixture of iso-octane/ethanol/n-heptane/toluene: 37.8%/40%/10.2%/12% by volume at 30 bar and equivalence ratio of 1. Experimental data are from Cancino et al. [18].

Grahic Jump Location
Fig. 18

Laminar flame speed of iso-octane at atmospheric pressure and temperature of 358 K. Experimental data are from Dirrenberger et al. [23], Bradley et al. [24], Kumer et al. [25], and Kelley et al. [26]. Simulation mechanisms are from Liu at al. [1] and this work.

Grahic Jump Location
Fig. 19

Laminar flame speed of iso-octane at atmospheric pressure and 398 K. Experimental data are from Dirrenberger et al. [23], Kumer et al. [25], Halter et al. [27], Broustail et al. [28], and Zhou et al. [29]. Simulation mechanisms are from Liu at al. [1] and this work.

Grahic Jump Location
Fig. 20

Laminar flame speed of ethanol at atmospheric pressure and 298 K. Experimental data are from Gulder [30], Egolfopoulos et al. [31], and van Lipzig et al. [32].

Grahic Jump Location
Fig. 21

Laminar flame speed of mixture of iso-octane/n-heptane/ethanol with equal volume fraction of 0.333 at atmospheric pressure and temperature of 298 K. Experimental data are from van Lipzig et al. [32].

Grahic Jump Location
Fig. 22

Laminar flame speed of mixture of iso-octane/n-heptane/ethanol with equal volume fraction of 0.333 at atmospheric pressure and temperature of 338 K. Experimental data are from van Lipzig et al. [32].

Grahic Jump Location
Fig. 23

Laminar flame speed of gasoline air mixture of Table 1 at temperature of 373 K. Experimental data are from Jerzembeck et al. [33].

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