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

Park, Seunghyun; Ra, Youngchul; Reitz, Rolf D.; Pitz, William J.; Kurtz, Eric

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

Journal Article · 01 March 2016 · International Journal of Engine Research

DOI: https://doi.org/10.1177/1468087416632367 · OSTI ID:1377775

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)

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.

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Research Organization:: Lawrence Livermore National Laboratory (LLNL), Livermore, CA (United States)

Sponsoring Organization:: USDOE

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

OSTI ID:: 1377775

Report Number(s):: LLNL-JRNL-683443

Journal Information:: International Journal of Engine Research, Vol. 17, Issue 9; ISSN 1468-0874

Publisher:: SAGECopyright Statement

Country of Publication:: United States

Language:: English

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Cited by: 2 works

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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

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