Studying the chemistry of HCCI in rapid compression machines

Würmel, Judith; Simmie, John M.; Curran, Henry J.

doi:10.1504/ijvd.2007.013220

Cited by 26 publications

(16 citation statements)

References 29 publications

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“…NTC behavior is also observed for n-butylbenzene in other RCM experiments [9] and in jet stirred reactors at 30 1 atm and 10 atm [22]. However for alkylbenzenes with shorter alkyl chains like n-propylbenzene, ethylbenzene and toluene, NTC behavior is not observed in the RCM [9].…”

Section: Discussionmentioning

confidence: 56%

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An experimental and modeling study of shock tube and rapid compression machine ignition of n-butylbenzene/air mixtures

Nakamura

Darcy

Mehl

et al. 2014

Combustion and Flame

134

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Section: Discussionmentioning

confidence: 56%

“…Creviced piston heads, with an inner diameter of 38.2 mm, were used in order to improve the post-compression temperature homogeneity in the combustion chamber [30]. The compression ratio was approximately 13:1 in this study.…”

Section: Rapid Compression Machinementioning

confidence: 99%

An experimental and modeling study of shock tube and rapid compression machine ignition of n-butylbenzene/air mixtures

Nakamura

Darcy

Mehl

et al. 2014

Combustion and Flame

134

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“…Three sets of experimental results are included; all three are for stoichiometric MCH/O 2 /diluent mixtures, but three different diluents (100% N 2 , 50% N 2 :50% Ar, and 100% Ar) were used to span the range of temperatures shown, as noted earlier. The small differences in results with when different diluents were used are due to different amounts of heat transfer to the combustion chamber walls as the diluent is varied [32].…”

Section: Resultsmentioning

confidence: 99%

Modeling and experimental investigation of methylcyclohexane ignition in a rapid compression machine

Pitz¹,

Naik²,

Mhaoldúin³

et al. 2007

Proceedings of the Combustion Institute

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175

234

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A new chemical kinetic reaction mechanism has been developed for the oxidation of methylcyclohexane (MCH), combining a new low-temperature mechanism with a recently developed high temperature mechanism. Predictions from this kinetic model are compared with experimentally measured ignition delay times from a rapid compression machine. Computed results were found to be particularly sensitive to isomerization rates of methylcyclohexylperoxy radicals. Three different methods were used to estimate rate constants for these isomerization reactions. Rate constants based on comparable alkylperoxy radical isomerizations corrected for the differences in the structure of MCH and the respective alkane, predicted ignition delay times in very poor agreement with the experimental results. The most significant drawback was the complete absence of a region of negative temperature coefficient (NTC) in the model results using this method, although a prominent NTC region was observed experimentally. Alternative estimates of the isomerization reaction rate constants, based on the results from previous experimental studies of low temperature cyclohexane oxidation, provided much better agreement with the present experiments, including the pronounced NTC behavior. The most important feature of the resulting methylcyclohexylperoxy radical isomerization reaction analysis was found to be the relative rates of isomerizations that proceed through 5-, 6-, 7-and 8--3-membered transition state ring structures and their different impacts on the chainbranching behavior of the overall mechanism. Theoretical implications of these results are discussed, with particular attention on how intramolecular H atom transfer reactions are influenced by the differences between linear alkane and cycloalkane structures.

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“…Creviced piston heads, with an inner diameter of 38.2 mm, were used in order to improve the post-compression temperature homogeneity in the combustion chamber [16]. The compression ratio was approximately 15:1 in this study.…”

Section: Rapid Compression Machinementioning

confidence: 99%

An experimental and modeling study of diethyl carbonate oxidation

Nakamura

Curran

Córdoba

et al. 2015

Combustion and Flame

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Diethyl carbonate (DEC) is an attractive biofuel that can be used to displace petroleum-derived diesel fuel, thereby reducing CO 2 and particulate emissions from diesel engines. A better understanding of DEC combustion characteristics is needed to facilitate its use in internal combustion engines. Towards this goal, ignition delay times for DEC were measured at conditions relevant to internal combustion engines using a rapid compression machine (RCM) and a shock tube. The experimental conditions investigated covered a wide range of temperatures (660-1300 K), a pressure of 30 bar, and equivalence ratios of 0.5, 1.0 and 2.0 in air.To provide further understanding of the intermediates formed in DEC oxidation, species concentrations were measured in a jet-stirred reactor at 10 atm over a temperature range of 500-1200 K and at equivalence ratios of 0.5, 1.0 and 2.0. These experimental measurements were used to aid the development and validation of a chemical kinetic model for DEC.The experimental results for ignition in the RCM showed near negative temperature coefficient (NTC) behavior. Six-membered alkylperoxy radical (R 2 ) isomerizations are conventionally thought to initiate low-temperature branching reactions responsible for NTC behavior, but DEC has no such possible 6-and 7-membered ring isomerizations. However, its molecular structure allows for 5-, 8-and 9-membered ring R 2 isomerizations. To provide accurate rate constants for these ring structures, ab initio computations for R 2 QOOH isomerization reactions were performed. These new R 2 isomerization rate constants have been implemented in a chemical kinetic model for DEC oxidation. The model simulations have been compared with ignition delay times measured in the RCM near the NTC region. Results of the 3 simulation were also compared with experimental results for ignition in the high-temperature region and for species concentrations in the jet-stirred reactor. Chemical kinetic insights into the oxidation of DEC were made using these experimental and modeling results.

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Studying the chemistry of HCCI in rapid compression machines

Cited by 26 publications

References 29 publications

An experimental and modeling study of shock tube and rapid compression machine ignition of n-butylbenzene/air mixtures

An experimental and modeling study of shock tube and rapid compression machine ignition of n-butylbenzene/air mixtures

Modeling and experimental investigation of methylcyclohexane ignition in a rapid compression machine

An experimental and modeling study of diethyl carbonate oxidation

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