Experimental and kinetic modeling study of the shock tube ignition of a large oxygenated fuel: Tri-propylene glycol mono-methyl ether

Burke, Ultan; Pitz, William J.; Curran, Henry J.

doi:10.1016/j.combustflame.2015.03.012

Cited by 20 publications

(21 citation statements)

References 32 publications

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“…Some well-known soot precursor chemical species, such as, ethylene, propene, allene, propyne, 1-butene and 1,3-butadiene have been measured, and are used to evaluate the existing detailed chemical kinetic model and validate it further. One of the key findings of this experimental campaign is the lack of evidence for negative temperature coefficient (NTC) behavior for TPGME, which the previous model predicts [11].…”

Section: Introductionmentioning

confidence: 78%

“…The original model from Burke et al [11] was published with the C 0 -C 4 base chemistry from Metcalfe et al [17] (AramcoMech1.3). The starting point for all alterations was the replacement of this base model with the updated Li et al [18] C 0 -C 4 base chemistry (AramcoMech2.0).…”

Section: Chemical Kinetic Model Formulationmentioning

confidence: 99%

“…The updates to the low-temperature reaction classes were based on the recommendations from Bugler et al [19]. The original model [11] used the rate rule recommendations from Sarathy et al [20]. As outlined in detail by Bugler et al [19] these rate rule recommendations require updating based on the fact that there are a number of theoretical calculations available in order to further constrain the recommendations for these reaction rate constants.…”

Section: Chemical Kinetic Model Formulationmentioning

confidence: 99%

“…The work of Westbrook et al [9] found that in comparison to several well-known fuel additive molecules, such as methanol, ethanol, methyl butanoate and di-butylmaleate, the poly-ether structure of dimethoxy methane and TPGME led to reduced soot emissions. Following this a detailed chemical kinetic model was developed by Burke et al [11]. This model was validated by the first fundamental ignition delay time data measured for TPGME.…”

Section: Introductionmentioning

confidence: 99%

“…The previous two studies regarding the chemical kinetic model development [11], [14] of this large oxygenated molecule, have lamented the fact that no fundamental kinetic data exist to validate the low-temperature kinetics of the TPGME model. This meant that the extrapolation of the model prediction outside its validation range were to be treated with skepticism.…”

Section: Introductionmentioning

confidence: 99%

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Species measurements of the particulate matter reducing additive tri–propylene glycol monomethyl ether

Burke

Shahla

Dagaut

et al. 2019

Proceedings of the Combustion Institute

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Reducing particulate matter formation and emissions by using fuel additives is a topic of interest for the petrochemical and automotive engineering industries. A compound which has been shown to be effective in this regard is tri-propylene glycol monomethyl ether (TPGME). This molecule consists of three ether linkages, an alcoholic group and alkyl branching including primary, secondary and tertiary C-H bonds. Its exotic structural features make it challenging to accurately model its oxidation. It is these same structural features that make this molecule both an exciting additive and a challenging fuel for kinetic modelers to understand. To provide insight into the oxidation of this molecule, species measurements have been performed in a jet-stirred reactor. Species concentrations are measured at three equivalence ratios; 0.5, 1.0 and 2.0, at a constant TPGME concentration of 1000 ppm, a pressure of 1 atm, a constant residence time of 70 ms and over the temperature range of 530-1250 K. The species measured include global reactant and product species, molecular oxygen, carbon monoxide, carbon dioxide, water and molecular hydrogen. In addition, a number of soot precursor species are measured namely, ethylene, propene, acetylene, allene, 1-butene, propyne and butadiene. A literature model is used to predict the experiments and erroneous low-temperature reactivity is predicted by the model. The low-temperature reaction kinetics and the base-mechanism of the model is updated using recent kinetic insights. Despite the large uncertainties in the assignment of the kinetic parameters for this large molecule these erroneous predictions are removed and the model is capable of rationalizing the formation of all species measured.

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Section: Introductionmentioning

confidence: 78%

Section: Chemical Kinetic Model Formulationmentioning

confidence: 99%

Section: Chemical Kinetic Model Formulationmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

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Species measurements of the particulate matter reducing additive tri–propylene glycol monomethyl ether

Burke

Shahla

Dagaut

et al. 2019

Proceedings of the Combustion Institute

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Shock tube studies on ignition delay and combustion characteristics of oxygenated fuels under high temperature

Wang

et al. 2020

Int J Energy Res

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Summary A comparative study on ignition delay time and combustion characteristics of four typical oxygenated fuel/air mixtures of dimethyl ether (DME), diethyl ether (DEE), ethanol and E92 ethanol gasoline was conducted through the chemical shock tube. The fuel/air mixtures were measured under the ignition temperature of 1100 to 1800 K, initial pressure of 0.3 MPa and the equivalence ratios of 0.5, 1.0 and 1.5. The experimental results show that the ignition delay time of these four oxygenated fuels satisfies the Arrhenius relation. The reaction H + O2 = OH + O has a high sensitivity in four fuel/air mixtures during high‐temperature ignition, which makes the ignition delay lengthen with the increase of the equivalence ratios. By comparing the ignition delay of four fuels, ether fuels have excellent ignition performance and ether functional group has better ignition promotion than hydroxyl group. Moreover, the carbon chain length also significantly promotes the ignition. Due to the accumulation of a large number of active intermediates and free radicals during the long ignition delay time before ignition, the four fuels all have intense deflagration and generate the highest combustion peak pressure at the relatively low ignition temperature (1150‐1300 K). For DME, DEE and ethanol, due to the high content of oxygen in their molecules, the combustion peak pressure and luminous intensity increased with the equivalence ratio, and the combustion is intense after ignition. E92 ethanol gasoline with low oxygen content has a lower combustion peak pressure and a longer combustion duration than the other three fuels, and its highest combustion peak pressure appears in the stoichiometric ratio. The combustion process of E92 ethanol gasoline is more oxygen‐dependent than the other three fuels.

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Variation of Soot Structure Along the Exhaust Aftertreatment System—Impact of Oxygenated Diesel Blends on the Soot/Catalyst Interactions

Serhan

2021

Energy, Environment, and Sustainability

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Experimental and kinetic modeling study of the shock tube ignition of a large oxygenated fuel: Tri-propylene glycol mono-methyl ether

Cited by 20 publications

References 32 publications

Species measurements of the particulate matter reducing additive tri–propylene glycol monomethyl ether

Species measurements of the particulate matter reducing additive tri–propylene glycol monomethyl ether

Shock tube studies on ignition delay and combustion characteristics of oxygenated fuels under high temperature

Variation of Soot Structure Along the Exhaust Aftertreatment System—Impact of Oxygenated Diesel Blends on the Soot/Catalyst Interactions

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