Low temperature n-butane oxidation skeletal mechanism, based on multilevel approach

Strelkova, M. I.; Сафонов, А. А.; Sukhanov, L. P.; Umanskiy, S. Ya.; Kirillov, I. A.; Потапкин, Б. В.; Pasman, Hans J.; Tentner, Adrian

doi:10.1016/j.combustflame.2009.12.018

Cited by 16 publications

(8 citation statements)

References 26 publications

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“…In figure 9, the plasma-assisted butane oxidation results are presented for 1 atm. The thermal oxidation of butane within the NTC regime for elevated pressures has been studied both experimentally and numerically in the past [36][37][38][39][40]. Comparison of product and intermediate species formation from these investigations to this work shows constancy, namely with the formation of CH 3 CHO, CH 3 CH 2 CHO and butanone (CH 3 CH 2 COCH 3 ).…”

Section: Results and Discussion (A) Oxidation Trends Of Various Alkanmentioning

confidence: 88%

Flow reactor studies of non-equilibrium plasma-assisted oxidation of n -alkanes

Tsolas

Lee

Yetter

2015

Phil. Trans. R. Soc. A.

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The oxidation of n -alkanes (C 1 –C 7 ) has been studied with and without the effects of a nanosecond, non-equilibrium plasma discharge at 1 atm pressure from 420 to 1250 K. Experiments have been performed under nearly isothermal conditions in a flow reactor, where reactive mixtures are diluted in Ar to minimize temperature changes from chemical reactions. Sample extraction performed at the exit of the reactor captures product and intermediate species and stores them in a multi-position valve for subsequent identification and quantification using gas chromatography. By fixing the flow rate in the reactor and varying the temperature, reactivity maps for the oxidation of fuels are achieved. Considering all the fuels studied, fuel consumption under the effects of the plasma is shown to have been enhanced significantly, particularly for the low-temperature regime ( T <800 K). In fact, multiple transitions in the rates of fuel consumption are observed depending on fuel with the emergence of a negative-temperature-coefficient regime. For all fuels, the temperature for the transition into the high-temperature chemistry is lowered as a consequence of the plasma being able to increase the rate of fuel consumption. Using a phenomenological interpretation of the intermediate species formed, it can be shown that the active particles produced from the plasma enhance alkyl radical formation at all temperatures and enable low-temperature chain branching for fuels C 3 and greater. The significance of this result demonstrates that the plasma provides an opportunity for low-temperature chain branching to occur at reduced pressures, which is typically observed at elevated pressures in thermal induced systems.

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Section: Results and Discussion (A) Oxidation Trends Of Various Alkanmentioning

confidence: 88%

Flow reactor studies of non-equilibrium plasma-assisted oxidation of n -alkanes

Tsolas

Lee

Yetter

2015

Phil. Trans. R. Soc. A.

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“…The value given for the rate of step 19 in the table, which lies in the center of the range of values employed in the literature on n-butane [11,13,22], is the same as the value that we have previously employed in the analogous steps for propane and for heptane, the rate of this addition step being rather insensitive to the size of the alkyl radical. This step includes the addition to form RO 2 , followed by isomerization to the hydroperoxyalkyl radical C 4 H 8 OOH shown, the isomerization being rapid enough that its rate need not be considered, as mentioned above and shown in our earlier work [19,28], where RO 2 has similarly been eliminated through its steady state.…”

Section: The Reaction Mechanismmentioning

confidence: 83%

“…The base mechanism consists of C 1 -C 3 chemistry [19], tested for a wide range of parameters. In developing a reduced n-butane sub-mechanism, different detailed mechanisms were consulted [1,5,11,13,[20][21][22][23], with specific choices stated below. For the sake of consistency, wherever possible the new reaction rates and thermodynamic data were taken from the mechanism developed in the recent detailed chemical model reported in [13], although slight modifications of some rate parameters were made (as identified below), within uncertainties and with negligible effects on other predictions, for improving agreements with experimental results on laminar flame speeds, subject to consistency with recent more detailed results [16,17].…”

Section: The Reaction Mechanismmentioning

confidence: 99%

A reduced reaction mechanism for the combustion of n-butane

Prince

Treviño

Williams

2017

Combustion and Flame

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A C 1-C 3 short chemical-kinetic mechanism (the San Diego mechanism), which involves 235 elementary reactions among 40 such species, is extended to C 4 by adding 22 chemical-kinetic steps, among 7 additional species, with their associated reaction-rate parameters, to include the ignition and combustion of n-butane over a range of conditions that encompasses both lowtemperature and high-temperature chemistry, as well as both high and low pressures. Tests of predictions against measured ignition delays and laminar burning velocities are reported, as are comparisons with recent measurements in jet-stirred reactors, supporting the predictions of the mechanism, which may be useful in combustion computations, especially when larger mechanisms would be too time-consuming to be accommodated.

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“…Several mechanisms have been developed for Jet-A fuel. For instance, Strelkova et al [32] designed a mechanism which is based on the surrogate fuel of 72.7 wt% decane, 9.1 wt% hexane, and 18.2 wt% benzene. Luche et al [33] also have developed mechanisms for common kerosene.…”

Section: Effect Of Steam Addition On Kerosene Chemical Kinetics and Nmentioning

confidence: 99%

Effect of Steam Addition on the Flow Field and NOx Emissions for Jet-A in an Aircraft Combustor

Xue

Nikolaidis

et al. 2016

International Journal of Turbo &Amp; Jet-Engines

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The steam injection technology for aircraft engines is gaining rising importance because of the strong limitations imposed by the legislation for NOx reduction in airports. In order to investigate the impact of steam addition on combustion and NOx emissions, an integrated performance-CFD-chemical reactor network (CRN) methodology was developed. The CFD results showed steam addition reduced the high temperature size and the radical pool moved downstream. Then different post-processing techniques are employed and CRN is generated to predict NOx emissions. This network consists of 14 chemical reactor elements and the results were in close agreement with the ICAO databank. The established CRN model was then used for steam addition study and the results showed under air/steam mixture atmosphere, high steam content could push the NOx formation region to the post-flame zone and a large amount of the NOx emission could be reduced when the steam mass fraction is quite high.

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Low temperature n-butane oxidation skeletal mechanism, based on multilevel approach

Cited by 16 publications

References 26 publications

Flow reactor studies of non-equilibrium plasma-assisted oxidation of n -alkanes

Flow reactor studies of non-equilibrium plasma-assisted oxidation of n -alkanes

A reduced reaction mechanism for the combustion of n-butane

Effect of Steam Addition on the Flow Field and NOx Emissions for Jet-A in an Aircraft Combustor

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