Experimental and kinetic modeling study of the shock tube ignition of a large oxygenated fuel: tri-propylene glycol mono-methyl ether
Pitz, William J.
Curran, Henry J.
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Burke, U,Pitz, WJ,Curran, HJ (2015) 'Experimental and kinetic modeling study of the shock tube ignition of a large oxygenated fuel: Tri-propylene glycol mono-methyl ether'. Combustion And Flame, 162 :2916-2927.
Tri-propylene glycol monomethyl ether (TPGME) is an important oxygenated fuel additive that can be used to reduce soot in diesel engines. However, a validated chemical kinetic model that incorporates the low- to high-temperature chemistry, needed to simulate ignition in a diesel engine is not available for TPGME. In addition, no fundamental experimental data are available that can be used to validate a TPGME mechanism. In this study, a surrogate chemical kinetic model for TPGME that includes low- and high-temperature chemistry has been developed, and shock tube ignition delay time data has been acquired for its validation at 0.25% TPGME for temperatures in the range of 980-1545 K, at pressures of 10 and 20 atm, and at equivalence ratios of phi = 0.5, 1.0 and 2.0. The predictions from the model have been compared to the experimental measurements with good agreement. Under the experimental conditions investigated in the shock tube, TPGME was found to be consumed by molecular elimination reactions and also H-atom abstraction by (H)over dot atoms and by (O)over dotH and H(O)over dot(2) radicals. In performing sensitivity analyses it was found that the ignition of TPGME is most sensitive to reactions involving propene. Considering how the sensitivity analyses change with pressure, the most sensitive reactions involved (H)over dot atoms at 10 atm and H(O)over dot(2) radicals at 20 atm. With respect to the effect of equivalence ratio, reactions involving (H)over dot atoms are relatively more sensitive under fuel-rich conditions while those involving H(O)over dot(2) radicals are relatively more sensitive under fuel-lean conditions. Further experimental work is needed to enable validation of the model under low-temperature conditions. TPGME was compared to n-heptane which has similar ignition properties based on Cetane Number. Predictions showed that TPGME has a higher overall reactivity compared to n-heptane. In addition, TPGME is shown to produce significantly less soot precursor species when TPGME predictions are compared to n-heptane. (C) 2015 The Combustion Institute. Published by Elsevier Inc. All rights reserved.