Development of a reduced tri-propylene glycol monomethyl ether– n -hexadecane–poly-aromatic hydrocarbon mechanism and its application for soot prediction

doi:10.1177/1468087416632367

Title: Development of a reduced tri-propylene glycol monomethyl ether– n -hexadecane–poly-aromatic hydrocarbon mechanism and its application for soot prediction

Abstract

A reduced chemical kinetic mechanism for Tri-Propylene Glycol Monomethyl Ether (TPGME) has been developed and applied to computational fluid dynamics (CFD) calculations for predicting combustion and soot formation processes. The reduced TPGME mechanism was combined with a reduced n-hexadecane mechanism and a Poly-Aromatic Hydrocarbon (PAH) mechanism to investigate the effect of fuel oxygenation on combustion and soot emissions. The final version of the TPGME-n-hexadecane-PAH mechanism consists of 144 species and 730 reactions and was validated with experiments in shock tubes as well as in a constant volume spray combustion vessel (CVCV) from the Engine Combustion Network (ECN). The effects of ambient temperature, varying oxygen content in the tested fuels on ignition delay, spray liftoff length and soot formation under diesel-like conditions were analyzed and addressed using multidimensional reacting flow simulations and the reduced mechanism. Here, the results show that the present reduced mechanism gives reliable predictions of the combustion characteristics and soot formation processes. In the CVCV simulations, two important trends were identified. First, increasing the initial temperature in the CVCV shortens the ignition delay and lift-off length, reduces the fuel-air mixing, thereby increasing the soot levels. Secondly, fuel oxygenation introduces more oxygen into the central region of a fuelmore »« less

Authors:

Park, Seunghyun ^[1]; Ra, Youngchul ^[1]; Reitz, Rolf D. ^[1]; Pitz, William J. ^[2]; Kurtz, Eric ^[3]

Univ. of Wisconsin, Madison, WI (United States). Engine Research Center
Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States)
Ford Motor Company, Dearborn, MI (United States)

Publication Date:: 2016-03-01

Research Org.:: Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States)

Sponsoring Org.:: USDOE

OSTI Identifier:: 1377775

Report Number(s):: LLNL-JRNL-683443
Journal ID: ISSN 1468-0874

Grant/Contract Number:: AC52-07NA27344; EE0005386

Resource Type:: Accepted Manuscript

Journal Name:: International Journal of Engine Research

Additional Journal Information:: Journal Volume: 17; Journal Issue: 9; Journal ID: ISSN 1468-0874

Publisher:: SAGE

Country of Publication:: United States

Language:: English

Subject:: 32 ENERGY CONSERVATION, CONSUMPTION, AND UTILITZATION; 37 INORGANIC, ORGANIC, PHYSICAL AND ANALYTICAL CHEMISTRY; TPGME; n-hexadecane; PAH; Ignition delay; liftoff length; Soot

Citation Formats


                    Park, Seunghyun, Ra, Youngchul, Reitz, Rolf D., Pitz, William J., and Kurtz, Eric. Development of a reduced tri-propylene glycol monomethyl ether– n -hexadecane–poly-aromatic hydrocarbon mechanism and its application for soot prediction.  United States: N. p., 2016. 
        Web.  doi:10.1177/1468087416632367.

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                    Park, Seunghyun, Ra, Youngchul, Reitz, Rolf D., Pitz, William J., & Kurtz, Eric. Development of a reduced tri-propylene glycol monomethyl ether– n -hexadecane–poly-aromatic hydrocarbon mechanism and its application for soot prediction.  United States.  doi:10.1177/1468087416632367.

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                    Park, Seunghyun, Ra, Youngchul, Reitz, Rolf D., Pitz, William J., and Kurtz, Eric. Tue .  
        "Development of a reduced tri-propylene glycol monomethyl ether– n -hexadecane–poly-aromatic hydrocarbon mechanism and its application for soot prediction".  United States.  doi:10.1177/1468087416632367.  https://www.osti.gov/servlets/purl/1377775.

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@article{osti_1377775,

  title        = {Development of a reduced tri-propylene glycol monomethyl ether– n -hexadecane–poly-aromatic hydrocarbon mechanism and its application for soot prediction},

  author       = {Park, Seunghyun and Ra, Youngchul and Reitz, Rolf D. and Pitz, William J. and Kurtz, Eric},

  abstractNote = {A reduced chemical kinetic mechanism for Tri-Propylene Glycol Monomethyl Ether (TPGME) has been developed and applied to computational fluid dynamics (CFD) calculations for predicting combustion and soot formation processes. The reduced TPGME mechanism was combined with a reduced n-hexadecane mechanism and a Poly-Aromatic Hydrocarbon (PAH) mechanism to investigate the effect of fuel oxygenation on combustion and soot emissions. The final version of the TPGME-n-hexadecane-PAH mechanism consists of 144 species and 730 reactions and was validated with experiments in shock tubes as well as in a constant volume spray combustion vessel (CVCV) from the Engine Combustion Network (ECN). The effects of ambient temperature, varying oxygen content in the tested fuels on ignition delay, spray liftoff length and soot formation under diesel-like conditions were analyzed and addressed using multidimensional reacting flow simulations and the reduced mechanism. Here, the results show that the present reduced mechanism gives reliable predictions of the combustion characteristics and soot formation processes. In the CVCV simulations, two important trends were identified. First, increasing the initial temperature in the CVCV shortens the ignition delay and lift-off length, reduces the fuel-air mixing, thereby increasing the soot levels. Secondly, fuel oxygenation introduces more oxygen into the central region of a fuel jet and reduces residence times of fuel rich area in active soot forming regions, thereby reducing soot levels.},

  doi          = {10.1177/1468087416632367},

  journal      = {International Journal of Engine Research},

  number       = 9,

  volume       = 17,

  place        = {United States},

  year         = {2016},

  month        = {3}

}

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DOI: 10.1177/1468087416632367

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Works referenced in this record:

A comprehensive detailed chemical kinetic reaction mechanism for combustion of n-alkane hydrocarbons from n-octane to n-hexadecane
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Westbrook, Charles K.; Pitz, William J.; Herbinet, Olivier
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Development of an n-heptane-n-butanol-PAH mechanism and its application for combustion and soot prediction
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Wang, Hu; Deneys Reitz, Rolf; Yao, Mingfa
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Westbrook, Charles K.; Pitz, William J.; Curran, Henry J.
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Soot in diesel fuel jets: effects of ambient temperature, ambient density, and injection pressure
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Reitz, Rolf D.; Beale, Jennifer C.
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Pepiotdesjardins, P.; Pitsch, H.
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Reduction of Numerical Parameter Dependencies in Diesel Spray Models
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Abani, Neerav; Munnannur, Achuth; Reitz, Rolf D.
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Comprehensive chemical kinetic modeling of the oxidation of 2-methylalkanes from C7 to C20
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Sarathy, S. M.; Westbrook, C. K.; Mehl, M.
Combustion and Flame, Vol. 158, Issue 12
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A comprehensive chemical kinetic combustion model for the four butanol isomers
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Sarathy, S. Mani; Vranckx, Stijn; Yasunaga, Kenji
Combustion and Flame, Vol. 159, Issue 6
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Title: Development of a reduced tri-propylene glycol monomethyl ether– n -hexadecane–poly-aromatic hydrocarbon mechanism and its application for soot prediction

Abstract

Citation Formats

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