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Title: Autoignition and preliminary heat release of gasoline surrogates and their blends with ethanol at engine-relevant conditions: Experiments and comprehensive kinetic modeling

Abstract

This work utilizes a rapid compression machine (RCM) to experimentally quantify autoignition and preliminary heat release characteristics for blends of 0 to 30% ethanol by volume into two surrogates (FGF-LLNL and FGF-KAUST) that represent a full boiling range gasoline (FACE-F). Experimental conditions cover pressures from 15 to 100 bar, temperatures from 700 to 1000 K, and diluted/stoichiometric and undiluted/lean fuel loading conditions representative of boosted spark-ignition and advanced compression ignition engines, respectively. Direct comparison is made with previously reported results for FACE-F/E0–E30 blends. A detailed gasoline surrogate model is also proposed, and chemical kinetic modeling is undertaken using the proposed model to generate chemical insights into the compositional effects and ethanol blending effects. Although experiments show similar qualitative trends between the surrogates, quantitative differences between the surrogates are obvious, where FGF-LLNL displays higher low-temperature reactivity and faster evolution of low-temperature heat release (LTHR) than FGF-KAUST, with such differences being significantly muted by ethanol blending. Flux analyses reveal the compositional effects on surrogate reactivity at the diluted/stoichiometric condition, where n-heptane facilitates the first-stage ignition reactivity for FGF-LLNL/E0 by initiating earlier and more rapid OH branching than n-butane for FGF-KAUST/E0. Sensitivity analyses highlight the importance of non-fuel-specific interactions between ethanol and surrogatemore » sub-chemistries in controlling the reactivity of ethanol-blended surrogates. Direct experimental comparisons between the surrogates and FACE-F, as well as between the surrogate/EtOH and FACE-F/EtOH blends highlight the need of high-fidelity surrogates that can fully replicate the target gasoline in properties including ignition reactivity and LTHR characteristics at extended conditions, as well as their response to ethanol blending. Overall, the model captures the experiments reasonably well. Nevertheless, the model displays increasing disagreement with experiments for the two surrogates at higher levels of ethanol blending, and this is found to be caused primarily by non-fuel-specific interactions between ethanol and surrogate component sub-chemistries. Furthermore, the model underpredicts the surrogate-to-surrogate differences at the diluted/stoichiometric condition, indicating a need for more physical testing on surrogates to facilitate more extensive model validation.« less

Authors:
 [1];  [2];  [1];  [1]; ORCiD logo [2];  [2];  [2];  [2];  [2]
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  1. Argonne National Lab. (ANL), Argonne, IL (United States)
  2. Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States)
Publication Date:
Research Org.:
Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States); Argonne National Lab. (ANL), Argonne, IL (United States)
Sponsoring Org.:
USDOE National Nuclear Security Administration (NNSA); USDOE Office of Energy Efficiency and Renewable Energy (EERE), Transportation Office. Vehicle Technologies Office
OSTI Identifier:
1797554
Alternate Identifier(s):
OSTI ID: 1837183
Report Number(s):
LLNL-JRNL-812356
Journal ID: ISSN 0010-2180; 1019653
Grant/Contract Number:  
AC52-07NA27344; AC02-06CH11357
Resource Type:
Accepted Manuscript
Journal Name:
Combustion and Flame
Additional Journal Information:
Journal Volume: 228; Journal ID: ISSN 0010-2180
Publisher:
Elsevier
Country of Publication:
United States
Language:
English
Subject:
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY; Autoignition; Preliminary heat release; Detailed gasoline surrogate chemistry model; Compositional effects; Ethanol blending effects

Citation Formats

Cheng, Song, Saggese, Chiara, Kang, Dongil, Goldsborough, S. Scott, Wagnon, Scott W., Kukkadapu, Goutham, Zhang, Kuiwen, Mehl, Marco, and Pitz, William J. Autoignition and preliminary heat release of gasoline surrogates and their blends with ethanol at engine-relevant conditions: Experiments and comprehensive kinetic modeling. United States: N. p., 2021. Web. doi:10.1016/j.combustflame.2021.01.033.
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Cheng, Song, Saggese, Chiara, Kang, Dongil, Goldsborough, S. Scott, Wagnon, Scott W., Kukkadapu, Goutham, Zhang, Kuiwen, Mehl, Marco, & Pitz, William J. Autoignition and preliminary heat release of gasoline surrogates and their blends with ethanol at engine-relevant conditions: Experiments and comprehensive kinetic modeling. United States. https://doi.org/10.1016/j.combustflame.2021.01.033
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Cheng, Song, Saggese, Chiara, Kang, Dongil, Goldsborough, S. Scott, Wagnon, Scott W., Kukkadapu, Goutham, Zhang, Kuiwen, Mehl, Marco, and Pitz, William J. Fri . "Autoignition and preliminary heat release of gasoline surrogates and their blends with ethanol at engine-relevant conditions: Experiments and comprehensive kinetic modeling". United States. https://doi.org/10.1016/j.combustflame.2021.01.033. https://www.osti.gov/servlets/purl/1797554.
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@article{osti_1797554,
title = {Autoignition and preliminary heat release of gasoline surrogates and their blends with ethanol at engine-relevant conditions: Experiments and comprehensive kinetic modeling},
author = {Cheng, Song and Saggese, Chiara and Kang, Dongil and Goldsborough, S. Scott and Wagnon, Scott W. and Kukkadapu, Goutham and Zhang, Kuiwen and Mehl, Marco and Pitz, William J.},
abstractNote = {This work utilizes a rapid compression machine (RCM) to experimentally quantify autoignition and preliminary heat release characteristics for blends of 0 to 30% ethanol by volume into two surrogates (FGF-LLNL and FGF-KAUST) that represent a full boiling range gasoline (FACE-F). Experimental conditions cover pressures from 15 to 100 bar, temperatures from 700 to 1000 K, and diluted/stoichiometric and undiluted/lean fuel loading conditions representative of boosted spark-ignition and advanced compression ignition engines, respectively. Direct comparison is made with previously reported results for FACE-F/E0–E30 blends. A detailed gasoline surrogate model is also proposed, and chemical kinetic modeling is undertaken using the proposed model to generate chemical insights into the compositional effects and ethanol blending effects. Although experiments show similar qualitative trends between the surrogates, quantitative differences between the surrogates are obvious, where FGF-LLNL displays higher low-temperature reactivity and faster evolution of low-temperature heat release (LTHR) than FGF-KAUST, with such differences being significantly muted by ethanol blending. Flux analyses reveal the compositional effects on surrogate reactivity at the diluted/stoichiometric condition, where n-heptane facilitates the first-stage ignition reactivity for FGF-LLNL/E0 by initiating earlier and more rapid OH branching than n-butane for FGF-KAUST/E0. Sensitivity analyses highlight the importance of non-fuel-specific interactions between ethanol and surrogate sub-chemistries in controlling the reactivity of ethanol-blended surrogates. Direct experimental comparisons between the surrogates and FACE-F, as well as between the surrogate/EtOH and FACE-F/EtOH blends highlight the need of high-fidelity surrogates that can fully replicate the target gasoline in properties including ignition reactivity and LTHR characteristics at extended conditions, as well as their response to ethanol blending. Overall, the model captures the experiments reasonably well. Nevertheless, the model displays increasing disagreement with experiments for the two surrogates at higher levels of ethanol blending, and this is found to be caused primarily by non-fuel-specific interactions between ethanol and surrogate component sub-chemistries. Furthermore, the model underpredicts the surrogate-to-surrogate differences at the diluted/stoichiometric condition, indicating a need for more physical testing on surrogates to facilitate more extensive model validation.},
doi = {10.1016/j.combustflame.2021.01.033},
journal = {Combustion and Flame},
number = ,
volume = 228,
place = {United States},
year = {Fri Feb 26 00:00:00 EST 2021},
month = {Fri Feb 26 00:00:00 EST 2021}
}
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