A chemical kinetic perspective on the low-temperature oxidation of propane/propene mixtures through experiments and kinetic analyses

Ramalingam, Ajoy; Panigrahy, Snehasish; Fenard, Yann; Curran, Henry J.; Heufer, Karl Alexander

doi:10.1016/j.combustflame.2020.10.020

Cited by 67 publications

(17 citation statements)

References 69 publications

Supporting

Mentioning

Contrasting

Order By: Relevance

“…Figure shows the predicted IDT and LFS for propene (C 3 H 6 ), isobutene ( i C 4 H 8 ), and n -butane using the generated skeletal mechanisms and the detailed NUIGMech1.1 and AramcoMech3.0 mechanisms. For propene, it can be seen that the detailed and skeletal mechanisms exhibit reasonable prediction of IDT at the studied conditions as a result of the optimization of key reaction rate constants, while the older AramcoMech3.0 mechanism tends to overestimate the IDT, and even no ignition was found with a pressure of 30 bar for the interested low-temperature conditions. The updated detailed NUIGMech1.1 mechanism also better predicts IDT and LFS data for isobutene, as discussed in a previous reference, indicating the necessity to continuously improve the core mechanism.…”

Section: Resultsmentioning

confidence: 82%

“…Table summarizes these experimental conditions of various C 0 –C 4 fuels used for validation of the two skeletal mechanisms. The current skeletal mechanisms show high-fidelity compared to the detailed NUIGMech1.1, which was significantly improved for the prediction of IDT and LFS of propene, propyne, and isobutene and the pyrolysis process of alkenes ,, compared to AramcoMech3.0 Figure shows the predicted IDT and LFS for propene (C 3 H 6 ), isobutene ( i C 4 H 8 ), and n -butane using the generated skeletal mechanisms and the detailed NUIGMech1.1 and AramcoMech3.0 mechanisms.…”

Section: Resultsmentioning

confidence: 96%

“…10,11 The two skeletal mechanisms are validated against IDT, laminar flame speed (LFS), and species profiles from a JSR and flow reactor (FR) over a wide range of combustion conditions from an extensive literature review, with details given in the Supporting Information. 11,19,20 compared to AramcoMech3.0. 9 Figure 1 shows the predicted IDT and LFS for propene (C 3 H 6 ), isobutene (iC 4 H 8 ), and n-butane using the generated skeletal mechanisms and the detailed NUIGMech1.1 and AramcoMech3.0 mechanisms.…”

Section: Resultsmentioning

confidence: 99%

“…Comparisons of predicted IDTs and LFSs for important fuels using the derived skeletal mechanisms and the detailed NUIGMech1.1 and AramcoMech3.0 mechanisms, separately. (a) IDTs for propene, (b) IDTs for isobutene, (c) LFSs for isobutene, and (d) LFSs for n -butane: Davis et al, Hirasawa et al, and Bosschaart et al …”

Section: Resultsmentioning

confidence: 99%

“…The detailed NUIGMech1.1 mechanism includes 771 species and 3783 reactions to predict the pyrolysis and oxidation of various C 0 –C 4 fuels. ,,,− A combination of skeletal mechanism reduction methods is used to generate minimal skeletal mechanisms for core fuel molecules, including methane, methanol, ethane, ethylene, acetylene, ethanol, propene, propane, allene, propyne, the isomers of butene and butane, 1,3-butadiene, and benzene. These mechanisms are merged to form multipurpose skeletal core kinetic models.…”

Section: Mechanism Reduction Methodsmentioning

confidence: 99%

See 4 more Smart Citations

Development of Multipurpose Skeletal Core Combustion Chemical Kinetic Mechanisms

et al. 2021

Self Cite

View full text Add to dashboard Cite

Core combustion kinetic mechanisms for small C 0 −C 4 fuel molecules are not only of the utmost importance in understanding their individual combustion properties but are also the foundation for the development of kinetic models of real fuels. This brief communication intends to develop efficient skeletal core combustion mechanisms for the oxidation of C 0 −C 3 /C 4 fuels using the recently developed NUIGMech1.1 as the detailed mechanism. A combination of different skeletal mechanism reduction methods is employed to produce two skeletal mechanisms for C 0 −C 3 and C 0 −C 4 fuels, separately. The skeletal mechanisms have been validated by comparing against a wide range of combustion targets, and the maximum error in ignition delay time predictions is less than 10% for all of the targeted fuels. The C 0 −C 3 skeletal mechanism is also employed as the core mechanism in the development of a five-component skeletal mechanism for real gasoline. The developed skeletal mechanisms should represent a valuable resource for mechanism development and kinetic modeling within the combustion community.

show abstract

Section: Resultsmentioning

confidence: 82%