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Title: Exploring gasoline oxidation chemistry in jet stirred reactors

Abstract

Recent decades have seen increasingly restrictive regulations applied to gasoline engines. Gasoline combustion chemistry must be investigated to achieve a better understanding and control of internal combustion engine efficiency and emissions. In this work, several gasoline fuels, namely the FACE (Fuel for Advanced Combustion Engines) gasolines, were selected as targets for oxidation study in jet-stirred reactors (JSR). The study is facilitated by formulating various gasoline surrogate mixtures with known hydrocarbon compositions to represent the real gasolines. Surrogates included binary mixtures of n-heptane and iso-octane, as well as more complex multi-component mixtures. Here, the oxidation characteristics of FACE gasolines and their surrogates were experimentally examined in JSR-1 and numerically simulated under the following conditions: pressure 1 bar, temperature 500–1050 K, residence time 1.0 and 2.0 s, and two equivalence ratios (Φ= 0.5 and 1.0). In the high temperature region, all real fuels and surrogates showed similar oxidation behavior, but in the low temperature region, a fuel’s octane number and composition had a significant effect on its JSR oxidation characteristics. Low octane number fuels displayed more low temperature reactivity, while fuels with similar octane number but a larger number of n-alkane components were more reactive. A gasoline surrogate kinetic model was examinedmore » with FACE gasoline experiments either measured in JSR-2, or taken from previous work under the following conditions: pressure 10 bar, temperature 530–1200 K, residence time 0.7 s, and three equivalence ratios (Φ = 0.5, 1.0 and 2.0). Comparison between FACE gasoline experimental results with surrogate model predictions showed good agreement, demonstrating considerable potential for surrogate fuel kinetic modeling in engine simulations.« less

Authors:
ORCiD logo [1]; ORCiD logo [1];  [1];  [1];  [2];  [3];  [1];  [4];  [4];  [4];  [4]; ORCiD logo [4]; ORCiD logo [2];  [1]
  1. King Abdullah Univ. of Science and Technology (KAUST), Thuwal (Saudi Arabia)
  2. Centre National de la Recherche Scientifique INSIS, Orleans (France)
  3. King Abdullah Univ. of Science and Technology (KAUST), Thuwal (Saudi Arabia); Univ. de las Américas Puebla, Puebla (Mexico)
  4. Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States)
Publication Date:
Research Org.:
Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States)
Sponsoring Org.:
USDOE Office of Energy Efficiency and Renewable Energy (EERE)
OSTI Identifier:
1557943
Report Number(s):
LLNL-JRNL-749888
Journal ID: ISSN 0016-2361; 935386
Grant/Contract Number:  
AC52-07NA27344
Resource Type:
Accepted Manuscript
Journal Name:
Fuel
Additional Journal Information:
Journal Volume: 236; Journal Issue: C; Journal ID: ISSN 0016-2361
Publisher:
Elsevier
Country of Publication:
United States
Language:
English
Subject:
32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATION; 37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY; Gasoline surrogate; Jet stirred reactor; Kinetic model; FACE gasoline fuel; Oxidation chemistry

Citation Formats

Chen, Bingjie, Wang, Zhandong, Wang, Jui -Yang, Wang, Haoyi, Togbé, Casimir, Alonso, Pablo Emmanuel Álvarez, Almalki, Maram, Mehl, Marco, Pitz, William J., Wagnon, Scott W., Zhang, Kuiwen, Kukkadapu, Goutham, Dagaut, Philippe, and Sarathy, S. Mani. Exploring gasoline oxidation chemistry in jet stirred reactors. United States: N. p., 2019. Web. doi:10.1016/j.fuel.2018.09.055.
Chen, Bingjie, Wang, Zhandong, Wang, Jui -Yang, Wang, Haoyi, Togbé, Casimir, Alonso, Pablo Emmanuel Álvarez, Almalki, Maram, Mehl, Marco, Pitz, William J., Wagnon, Scott W., Zhang, Kuiwen, Kukkadapu, Goutham, Dagaut, Philippe, & Sarathy, S. Mani. Exploring gasoline oxidation chemistry in jet stirred reactors. United States. doi:10.1016/j.fuel.2018.09.055.
Chen, Bingjie, Wang, Zhandong, Wang, Jui -Yang, Wang, Haoyi, Togbé, Casimir, Alonso, Pablo Emmanuel Álvarez, Almalki, Maram, Mehl, Marco, Pitz, William J., Wagnon, Scott W., Zhang, Kuiwen, Kukkadapu, Goutham, Dagaut, Philippe, and Sarathy, S. Mani. Sat . "Exploring gasoline oxidation chemistry in jet stirred reactors". United States. doi:10.1016/j.fuel.2018.09.055.
@article{osti_1557943,
title = {Exploring gasoline oxidation chemistry in jet stirred reactors},
author = {Chen, Bingjie and Wang, Zhandong and Wang, Jui -Yang and Wang, Haoyi and Togbé, Casimir and Alonso, Pablo Emmanuel Álvarez and Almalki, Maram and Mehl, Marco and Pitz, William J. and Wagnon, Scott W. and Zhang, Kuiwen and Kukkadapu, Goutham and Dagaut, Philippe and Sarathy, S. Mani},
abstractNote = {Recent decades have seen increasingly restrictive regulations applied to gasoline engines. Gasoline combustion chemistry must be investigated to achieve a better understanding and control of internal combustion engine efficiency and emissions. In this work, several gasoline fuels, namely the FACE (Fuel for Advanced Combustion Engines) gasolines, were selected as targets for oxidation study in jet-stirred reactors (JSR). The study is facilitated by formulating various gasoline surrogate mixtures with known hydrocarbon compositions to represent the real gasolines. Surrogates included binary mixtures of n-heptane and iso-octane, as well as more complex multi-component mixtures. Here, the oxidation characteristics of FACE gasolines and their surrogates were experimentally examined in JSR-1 and numerically simulated under the following conditions: pressure 1 bar, temperature 500–1050 K, residence time 1.0 and 2.0 s, and two equivalence ratios (Φ= 0.5 and 1.0). In the high temperature region, all real fuels and surrogates showed similar oxidation behavior, but in the low temperature region, a fuel’s octane number and composition had a significant effect on its JSR oxidation characteristics. Low octane number fuels displayed more low temperature reactivity, while fuels with similar octane number but a larger number of n-alkane components were more reactive. A gasoline surrogate kinetic model was examined with FACE gasoline experiments either measured in JSR-2, or taken from previous work under the following conditions: pressure 10 bar, temperature 530–1200 K, residence time 0.7 s, and three equivalence ratios (Φ = 0.5, 1.0 and 2.0). Comparison between FACE gasoline experimental results with surrogate model predictions showed good agreement, demonstrating considerable potential for surrogate fuel kinetic modeling in engine simulations.},
doi = {10.1016/j.fuel.2018.09.055},
journal = {Fuel},
number = C,
volume = 236,
place = {United States},
year = {2019},
month = {9}
}

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