Experimental and Modeling Study of the Oxidation Kinetics of <i>n</i>-Undecane and <i>n</i>-Dodecane in a Jet-Stirred Reactor

Mzé-Ahmed, Amir; Hadj-Ali, K.; Dagaut, Philippe; Dayma, Guillaume

doi:10.1021/ef300588j

Cited by 79 publications

(55 citation statements)

References 23 publications

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“…On the other hand, for a reactor temperature of 1100K, both the major and minor species shown in Figure 5.5 and Figure 5.6, agree well with the model by Mze-Ahmed et al [94], except for C2H6 and C3H6. Similar to ethane and n-butane, the models for n-dodecane…”

Section: Fast Thermal Pyrolysis Model Developed From Current Experimesupporting

confidence: 88%

“…For reactor temperature 1000K, the major pyrolysis species shown in Figure 5.3 are in good agreement with the model by Banerjee et al [41], except for CH4 which matches well with the model by Mze-Ahmed et al [94]. In contrast, the minor species profiles shown in Figure 5.4 do not agree well with any of the models except for C4H6 which matches well with the model by Mze-Ahmed et al [94] .…”

Section: Fast Thermal Pyrolysis Model Developed From Current Experimesupporting

confidence: 78%

“…In contrast, the minor species profiles shown in Figure 5.4 do not agree well with any of the models except for C4H6 which matches well with the model by Mze-Ahmed et al [94] .…”

Section: Fast Thermal Pyrolysis Model Developed From Current Experimesupporting

confidence: 55%

“…Mze-Ahmed et al [94] conducted an experimental oxidation study of n-undecane and n- The modeling for such system is relatively complex compared to the UVa MFTR and the system can also be subject to reaction initialization problem.…”

Section: Jet Fuel Surrogate Mixture Investigations and Kinetic Modelsmentioning

confidence: 99%

“…These stoichiometric coefficients can be determined from known species selectivity ratios. The selectivity ratios are defined as the ratio between different species and a reference species, 2 4 in this case, as follows: [26], and models by Banerjee et al [41] and MzeAhmed et al [94].…”

Section: Fast Thermal Pyrolysis Model Developed From Current Experimementioning

confidence: 99%

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Fuel Pyrolysis at Atmospheric and Elevated Pressure Conditions in Micro-Flow Tube Reactor

Shrestha

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Improved efficiency and reduced emissions are essential elements of more sustainable propulsion systems. In addition to providing energy, the fuel in propulsion systems can be also used as coolant for critical engine components. Both the choice of fuel and understanding the fuel pyrolysis and oxidation behavior is critical for design of future propulsion systems. Specifically, well validated chemical kinetic models are needed in designing such systems. A fundamental approach in developing detailed chemical kinetic models is to start with the simplest fuel molecule and progressively increase the complexity of the molecular structure. Unfortunately, real fuels, and jet fuels in particular, consist of hundreds of hydrocarbon species and therefore the development of appropriate chemical kinetic models is challenging. As part of development of chemical kinetic models for these complex fuels, several surrogate models have been identified in order to simplify the modelling effort. Despite the fact that the surrogate reaction models represent a major simplification, they are still too large and require further simplification before implementation in computational simulation of propulsion systems.The present research work aims at solving this problem by decoupling the fuel pyrolysis and oxidation processes. The idea of semi-global model with a fast-thermal pyrolysis of large fuel molecules, in combination with more detailed H2/C1-C4 base model, is considered. The work described here is mainly focused on the experimental aspects of fuel decomposition into H2 and C1-C4 species. For this purpose, a novel micro flow tube reactor (MFTR) with a small mixing volume was designed and developed. Extensive investigations were performed to better understand the uncertainties associated with

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Section: Fast Thermal Pyrolysis Model Developed From Current Experimesupporting

confidence: 88%

Section: Fast Thermal Pyrolysis Model Developed From Current Experimesupporting

confidence: 78%

“…In contrast, the minor species profiles shown in Figure 5.4 do not agree well with any of the models except for C4H6 which matches well with the model by Mze-Ahmed et al [94] .…”

Section: Fast Thermal Pyrolysis Model Developed From Current Experimesupporting

confidence: 55%

Section: Jet Fuel Surrogate Mixture Investigations and Kinetic Modelsmentioning

confidence: 99%

Section: Fast Thermal Pyrolysis Model Developed From Current Experimementioning

confidence: 99%

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Fuel Pyrolysis at Atmospheric and Elevated Pressure Conditions in Micro-Flow Tube Reactor

Shrestha

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Reduced Kinetic Schemes of Complex Reaction Systems: Fossil and Biomass‐Derived Transportation Fuels

Ranzi

Frassoldati

Stagni

et al. 2014

Int J of Chemical Kinetics

493

246

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The kinetic modeling of the pyrolysis and combustion of liquid transportation fuels is a very complex task for two different reasons: the challenging characterization of the complex mixture of several hydrocarbon isomers and the complexity of the oxidation mechanisms of large hydrocarbon and oxygenated molecules. While surrogate mixtures of reference components allow to tackle the first difficulty, the complex behavior of the oxidation mechanisms is mostly overcome by reducing the total number of involved species by adopting a lumping approach. After a first investigation of the different liquid fuels (gasoline, kerosene, and diesel fuels), a short discussion on the lumping techniques allows to highlight the advantages of this approach. The lumped POLIMI pyrolysis and oxidation mechanism of hydrocarbon and oxygenated fuels is then used for generating several skeletal mechanisms for typical surrogate mixtures, moving from pure n-heptane up to heavy diesel fuels. These skeletal models are simply reduced with a reaction flux analysis, and they involve between 100 and 200 species. While these sizes already allow detailed computational fluid dynamics (CFD) calculations in internal combustion engines, further reduction phases are necessary when the interest is toward more complex CFD computations. To maintain the standard structure of the skeletal mechanisms, successive reduction phases are not considered. Moreover, new regulations pushed toward a greater use of renewable fuels. For these reasons, the skeletal models are also extended to biogasolines including methanol, ethanol, and n-butanol. Similarly, skeletal models of diesel and biodiesel fuels, including methyl esters, are also provided. Several comparisons with experimental data and complete validations in the operating range of internal combustion engines are also reported. The whole set of comparisons with experimental data obtained in a wide range of conditions not only validate the reduced models of specific transportation fuels but also the complete kinetic scheme POLIMI 1404

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Experimental and modelling investigations of the diesel surrogate fuels in direct injection compression ignition combustion

Liu

Wang

et al. 2017

Applied Energy

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Experimental and Modeling Study of the Oxidation Kinetics of n-Undecane and n-Dodecane in a Jet-Stirred Reactor

Cited by 79 publications

References 23 publications

Fuel Pyrolysis at Atmospheric and Elevated Pressure Conditions in Micro-Flow Tube Reactor

Fuel Pyrolysis at Atmospheric and Elevated Pressure Conditions in Micro-Flow Tube Reactor

Reduced Kinetic Schemes of Complex Reaction Systems: Fossil and Biomass‐Derived Transportation Fuels

Experimental and modelling investigations of the diesel surrogate fuels in direct injection compression ignition combustion

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