Reference components of jet fuels: kinetic modeling and experimental results

Detailed chemical kinetic models for the low-temperature combustion of hydrocarbons with application to gasoline and diesel fuel surrogates

“…Apart from the results obtained in the flow reactor of Princeton by the team of Dryer for the oxidation of PRF mixtures [136] and PRF/toluene blends [262] and those published by the team of D'Anna of Napoli for the oxidation of n-heptane/toluene mixtures in a jet-stirred reactor [134], most data obtained in a continuous flow reactor for the oxidation of mixtures were obtained by the team of Dagaut in Orléans in an isothermal jet-stirred reactor [22,[320][321]327,329] and by the team of Cernansky in a flow reactor [138][139][140][141]. Mainly focused on the search of gasoline surrogates, the team of Dagaut has studied PRF mixtures [320], mixtures of n-heptane with ethers [321] and with toluene [22] and blends containing iso-octane, 1-hexene or toluene, including a quaternary iso-octane /1-hexene/ETBE/toluene mixture [327,329]; a high temperature model has been proposed by this team to reproduce these last results.…”

“…For n-heptane, with a large dilution in inert gas, Dagaut et al [131] have detected about fifty species, including large alkenes (heptenes) and cyclic ethers (substituted tetrahydrofurans) in a system which can be reproduced by the simplest physical model. It is worth noting that the study of Lenhert et al [140][141] and by D'Anna [133] in flow reactors were concerned by the oxidation of n-dodecane and the autoignition of n-tetradecane, respectively, with these large compounds being representative of those included in diesel fuel.…”

“…By adding their mechanisms for MTBE and ETBE (see paragraph 2.2.b) to their model of n-heptane, the group of Ranzi and Faravelli has been able to reproduce the retarding effect of the addition of these ethers on the oxidation of n-heptane in a jet-stirred reactor [92], as was experimentally measured in Orléans [321]. Based on their semidetailed model for the low temperature oxidation of n-dodecane [92], which already contains reactions for simple aromatic compounds (see paragraph 2.2.b), on a semi-detailed sub-mechanism for the low-oxidation of iso-cetane (2,2,4,4,6,8,8-heptamethylnonane) and on high temperature lumped reactions for methylcyclohexane, models for the oxidation of n-dodecane/iso-cetane, n-dodecane/methylcyclohexane and n-dodecane/1-methylnaphthalene blends have been proposed [140][141]. The validation of the models for these binary mixtures, which can be considered as surrogates for diesel fuel, was performed using experimental data obtained in a flow reactor.…”

“…University [68,[138][139][140][141] and Dryer in Princeton [136] have used adiabatic pressurized flow reactors and the teams of Dagaut in Orléans [131][132]137] (based on a reactor design first proposed by Matras and Villermaux [152]) and of D'Anna in Napoli [133][134][135] have developed pressurized isotherm jet-stirred reactors. The main advantage of the data obtained in reactors is…”

Detailed chemical kinetic reaction mechanisms for primary reference fuels for diesel cetane number and spark-ignition octane number

“…Their experiments covered a temperature range from 770K to 1070K and used a lumped high temperature kinetic mechanism from Agosta et al [19] and another lumped mechanism from Battin-Leclerc et al [20] to analyze their experimental results. Subsequent kinetic modeling by Ranzi et al [21] refined the mechanisms and added a lumped approach for the low temperature kinetic regime.…”