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Title: Compositional effects on the ignition of FACE gasolines

Authors:
ORCiD logo; ; ; ; ; ; ; ; ; ORCiD logo; ; ; ; ; ; ;
Publication Date:
Sponsoring Org.:
USDOE
OSTI Identifier:
1324348
Grant/Contract Number:
AC52-07NA27344
Resource Type:
Journal Article: Publisher's Accepted Manuscript
Journal Name:
Combustion and Flame
Additional Journal Information:
Journal Volume: 169; Journal Issue: C; Related Information: CHORUS Timestamp: 2017-10-06 15:33:02; Journal ID: ISSN 0010-2180
Publisher:
Elsevier
Country of Publication:
United States
Language:
English

Citation Formats

Sarathy, S. Mani, Kukkadapu, Goutham, Mehl, Marco, Javed, Tamour, Ahmed, Ahfaz, Naser, Nimal, Tekawade, Aniket, Kosiba, Graham, AlAbbad, Mohammed, Singh, Eshan, Park, Sungwoo, Rashidi, Mariam Al, Chung, Suk Ho, Roberts, William L., Oehlschlaeger, Matthew A., Sung, Chih-Jen, and Farooq, Aamir. Compositional effects on the ignition of FACE gasolines. United States: N. p., 2016. Web. doi:10.1016/j.combustflame.2016.04.010.
Sarathy, S. Mani, Kukkadapu, Goutham, Mehl, Marco, Javed, Tamour, Ahmed, Ahfaz, Naser, Nimal, Tekawade, Aniket, Kosiba, Graham, AlAbbad, Mohammed, Singh, Eshan, Park, Sungwoo, Rashidi, Mariam Al, Chung, Suk Ho, Roberts, William L., Oehlschlaeger, Matthew A., Sung, Chih-Jen, & Farooq, Aamir. Compositional effects on the ignition of FACE gasolines. United States. doi:10.1016/j.combustflame.2016.04.010.
Sarathy, S. Mani, Kukkadapu, Goutham, Mehl, Marco, Javed, Tamour, Ahmed, Ahfaz, Naser, Nimal, Tekawade, Aniket, Kosiba, Graham, AlAbbad, Mohammed, Singh, Eshan, Park, Sungwoo, Rashidi, Mariam Al, Chung, Suk Ho, Roberts, William L., Oehlschlaeger, Matthew A., Sung, Chih-Jen, and Farooq, Aamir. 2016. "Compositional effects on the ignition of FACE gasolines". United States. doi:10.1016/j.combustflame.2016.04.010.
@article{osti_1324348,
title = {Compositional effects on the ignition of FACE gasolines},
author = {Sarathy, S. Mani and Kukkadapu, Goutham and Mehl, Marco and Javed, Tamour and Ahmed, Ahfaz and Naser, Nimal and Tekawade, Aniket and Kosiba, Graham and AlAbbad, Mohammed and Singh, Eshan and Park, Sungwoo and Rashidi, Mariam Al and Chung, Suk Ho and Roberts, William L. and Oehlschlaeger, Matthew A. and Sung, Chih-Jen and Farooq, Aamir},
abstractNote = {},
doi = {10.1016/j.combustflame.2016.04.010},
journal = {Combustion and Flame},
number = C,
volume = 169,
place = {United States},
year = 2016,
month = 7
}

Journal Article:
Free Publicly Available Full Text
Publisher's Version of Record at 10.1016/j.combustflame.2016.04.010

Citation Metrics:
Cited by: 11works
Citation information provided by
Web of Science

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  • In this study, a novel approach was developed to formulate surrogate fuels having characteristics that are representative of diesel fuels produced from real-world refinery streams. Because diesel fuels typically consist of hundreds of compounds, it is difficult to conclusively determine the effects of fuel composition on combustion properties. Surrogate fuels, being simpler representations of these practical fuels, are of interest because they can provide a better understanding of fundamental fuel-composition and property effects on combustion and emissions-formation processes in internal-combustion engines. In addition, the application of surrogate fuels in numerical simulations with accurate vaporization, mixing, and combustion models could revolutionizemore » future engine designs by enabling computational optimization for evolving real fuels. Dependable computational design would not only improve engine function, it would do so at significant cost savings relative to current optimization strategies that rely on physical testing of hardware prototypes. The approach in this study utilized the state-of-the-art techniques of {sup 13}C and {sup 1}H nuclear magnetic resonance spectroscopy and the advanced distillation curve to characterize fuel composition and volatility, respectively. The ignition quality was quantified by the derived cetane number. Two well-characterized, ultra-low-sulfur No.2 diesel reference fuels produced from refinery streams were used as target fuels: a 2007 emissions certification fuel and a Coordinating Research Council (CRC) Fuels for Advanced Combustion Engines (FACE) diesel fuel. A surrogate was created for each target fuel by blending eight pure compounds. The known carbon bond types within the pure compounds, as well as models for the ignition qualities and volatilities of their mixtures, were used in a multiproperty regression algorithm to determine optimal surrogate formulations. The predicted and measured surrogate-fuel properties were quantitatively compared to the measured target-fuel properties, and good agreement was found.« less
  • In this study, a novel approach was developed to formulate surrogate fuels having characteristics that are representative of diesel fuels produced from real-world refinery streams. Because diesel fuels typically consist of hundreds of compounds, it is difficult to conclusively determine the effects of fuel composition on combustion properties. Surrogate fuels, being simpler representations of these practical fuels, are of interest because they can provide a better understanding of fundamental fuel-composition and property effects on combustion and emissions-formation processes in internal-combustion engines. In addition, the application of surrogate fuels in numerical simulations with accurate vaporization, mixing, and combustion models could revolutionizemore » future engine designs by enabling computational optimization for evolving real fuels. Dependable computational design would not only improve engine function, it would do so at significant cost savings relative to current optimization strategies that rely on physical testing of hardware prototypes. The approach in this study utilized the stateof- the-art techniques of 13C and 1H nuclear magnetic resonance spectroscopy and the advanced distillation curve to characterize fuel composition and volatility, respectively. The ignition quality was quantified by the derived cetane number. Two wellcharacterized, ultra-low-sulfur #2 diesel reference fuels produced from refinery streams were used as target fuels: a 2007 emissions certification fuel and a Coordinating Research Council (CRC) Fuels for Advanced Combustion Engines (FACE) diesel fuel. A surrogate was created for each target fuel by blending eight pure compounds. The known carbon bond types within the pure compounds, as well as models for the ignition qualities and volatilities of their mixtures, were used in a multiproperty regression algorithm to determine optimal surrogate formulations. The predicted and measured surrogate-fuel properties were quantitatively compared to the measured target-fuel properties, and good agreement was found. This paper is dedicated to the memory of our friend and colleague Jim Franz. Funding for this research was provided by the U.S. Department of Energy (U.S. DOE) Office of Vehicle Technologies, and by the Coordinating Research Council (CRC) and the companies that employ the CRC members. The study was conducted under the auspices of CRC. The authors thank U.S. DOE program manager Kevin Stork for supporting the participation of the U.S. national laboratories in this study.« less