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Title: Probing intermediate temperature heat release in autoignition of C3-C4 iso-alcohol/gasoline blends

Abstract

In this work, we report an experimental and modeling study on the blending effects of C3–C4 iso-alcohols, namely iso-propanol and iso-butanol, on the characteristics of intermediate temperature heat release (ITHR) for a research-grade gasoline (FACE-F) in a rapid compression machine operating at diluted/stoichiometric fuel loading, compressed pressure of 43 bar, and compressed temperatures from 700 to 970 K. Changes in ITHR behavior are characterized through ITHR extent and evolution at 0 to 30 vol% iso-alcohol blending levels. Experimental observations reveal the strong promoting and decelerating effects on ITHR extent and evolution, respectively, within the low-temperature regime for both iso-alcohols, with stronger effects seen for iso-propanol; within the intermediate-temperature regime, the influence of both iso-alcohols diminishes greatly. Comprehensive chemical kinetic modeling is undertaken using a recently developed gasoline surrogate/alcohol model in conjunction with a five-component gasoline surrogate (FGF-LLNL), with good agreement obtained with the experiments for all the blends. Sensitivity, rate of production and flux analyses highlight the importance of chemical kinetic interactions via both fuel-specific and non-fuel-specific reactions. Disabling all the chemical kinetic interactions between iso-alcohol and FGF-LLNL in carbonated/non-fuel-specific species leads to somewhat extended ITHR duration and reduced ignition reactivity. Direct comparison between FGF-LLNL/iso-propanol and FGF-LLNL/iso-butanol blends is alsomore » made, where iso-propanol and iso-butanol are found to influence ITHR characteristics via significantly different chemical kinetic interactions.« less

Authors:
 [1];  [1]; ORCiD logo [2]; ORCiD logo [2]
+ Show Author Affiliations
  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 Laboratory (LLNL), Livermore, CA (United States); Argonne National Laboratory (ANL), Argonne, IL (United States)
Sponsoring Org.:
USDOE National Nuclear Security Administration (NNSA); USDOE Office of Science (SC); USDOE Office of Energy Efficiency and Renewable Energy (EERE), Transportation Office. Vehicle Technologies Office
OSTI Identifier:
1828126
Alternate Identifier(s):
OSTI ID: 1838930
Report Number(s):
LLNL-JRNL-825306
Journal ID: ISSN 0010-2180; 1038946
Grant/Contract Number:  
AC52-07NA27344; AC02-06CH11357
Resource Type:
Accepted Manuscript
Journal Name:
Combustion and Flame
Additional Journal Information:
Journal Volume: 233; Journal Issue: na; Journal ID: ISSN 0010-2180
Publisher:
Elsevier
Country of Publication:
United States
Language:
English
Subject:
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY; C3–C4 iso-alcohol/gasoline blends; intermediate temperature heat release; chemical kinetic interaction

Citation Formats

Cheng, Song, Goldsborough, S. Scott, Wagnon, Scott W., and Pitz, William J. Probing intermediate temperature heat release in autoignition of C3-C4 iso-alcohol/gasoline blends. United States: N. p., 2021. Web. doi:10.1016/j.combustflame.2021.111602.
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Cheng, Song, Goldsborough, S. Scott, Wagnon, Scott W., & Pitz, William J. Probing intermediate temperature heat release in autoignition of C3-C4 iso-alcohol/gasoline blends. United States. https://doi.org/10.1016/j.combustflame.2021.111602
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Cheng, Song, Goldsborough, S. Scott, Wagnon, Scott W., and Pitz, William J. Sun . "Probing intermediate temperature heat release in autoignition of C3-C4 iso-alcohol/gasoline blends". United States. https://doi.org/10.1016/j.combustflame.2021.111602. https://www.osti.gov/servlets/purl/1828126.
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@article{osti_1828126,
title = {Probing intermediate temperature heat release in autoignition of C3-C4 iso-alcohol/gasoline blends},
author = {Cheng, Song and Goldsborough, S. Scott and Wagnon, Scott W. and Pitz, William J.},
abstractNote = {In this work, we report an experimental and modeling study on the blending effects of C3–C4 iso-alcohols, namely iso-propanol and iso-butanol, on the characteristics of intermediate temperature heat release (ITHR) for a research-grade gasoline (FACE-F) in a rapid compression machine operating at diluted/stoichiometric fuel loading, compressed pressure of 43 bar, and compressed temperatures from 700 to 970 K. Changes in ITHR behavior are characterized through ITHR extent and evolution at 0 to 30 vol% iso-alcohol blending levels. Experimental observations reveal the strong promoting and decelerating effects on ITHR extent and evolution, respectively, within the low-temperature regime for both iso-alcohols, with stronger effects seen for iso-propanol; within the intermediate-temperature regime, the influence of both iso-alcohols diminishes greatly. Comprehensive chemical kinetic modeling is undertaken using a recently developed gasoline surrogate/alcohol model in conjunction with a five-component gasoline surrogate (FGF-LLNL), with good agreement obtained with the experiments for all the blends. Sensitivity, rate of production and flux analyses highlight the importance of chemical kinetic interactions via both fuel-specific and non-fuel-specific reactions. Disabling all the chemical kinetic interactions between iso-alcohol and FGF-LLNL in carbonated/non-fuel-specific species leads to somewhat extended ITHR duration and reduced ignition reactivity. Direct comparison between FGF-LLNL/iso-propanol and FGF-LLNL/iso-butanol blends is also made, where iso-propanol and iso-butanol are found to influence ITHR characteristics via significantly different chemical kinetic interactions.},
doi = {10.1016/j.combustflame.2021.111602},
journal = {Combustion and Flame},
number = na,
volume = 233,
place = {United States},
year = {Sun Aug 01 00:00:00 EDT 2021},
month = {Sun Aug 01 00:00:00 EDT 2021}
}
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