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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

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 » jet and reduces residence times of fuel rich area in active soot forming regions, thereby reducing soot levels.« less

Authors:
 [1];  [1];  [1];  [2];  [3]
  1. Univ. of Wisconsin, Madison, WI (United States). Engine Research Center
  2. Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States)
  3. Ford Motor Company, Dearborn, MI (United States)
Publication Date:
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.
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.
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.
@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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