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

Abstract

To cite this version:Frédérique Battin-Leclerc. Detailed chemical kinetic models for the low-temperature combustion of hydrocarbons with application to gasoline and diesel fuel surrogates. Progress in Energy and Combustion Science, Elsevier, 2008, 34, pp.440-498 between the major models in terms of considered elementary steps and associated rate constants is also proposed.

Detailed chemical kinetic reaction mechanisms for soy and rapeseed biodiesel fuels

“…The same general approach is used by Battin-Leclerc et al [27,28,[56][57][58] who use the EXGAS software to automatically generate new detailed chemical kinetic reaction mechanisms for other large hydrocarbon and other fuels, with similarly good results. Until high quality theoretical techniques become able to compute reaction rates of elementary reactions of large hydrocarbon species, this estimation technique will continue to be used extensively.…”

“…In these studies, ignition of n-heptane, n-decane, and iso-octane [43,66,67] was studied, showing very clearly a region of negative temperature coefficient (NTC) of reaction, with the amount of NTC behavior depending on the molecular structure of the fuel, as well as on equivalence ratio and pressure. Subsequently, the same test conditions have been used to test reaction mechanisms for many other fuels [37,[39][40][41]55,57,58], and further 34 experiments have been carried out to compare the intermediate temperature ignition of other fuels [54]. Part of the value of such experiments and kinetic modeling is the fact that n-heptane and iso-octane are primary reference fuels (PRF) for octane ratings of automotive fuels, and it has been interesting to use these shock tube experiments and simulations to relate other fuels to the PRF references.…”

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

“…Alkylbenzenes are one of the major components in diesel fuels [1] and fundamental knowledge of the chemical kinetics of alkylbenzene fuels is required for further improvement of diesel engines. Carbon numbers for alkylbenzenes in U.S. market diesels for diesel components range in size from approximately C9 to C20 [2] [3].…”

Influence of Diesel Surrogates on the Behavior of Simplified Spray Models

“…As a conclusion, while engine experiments with surrogates are capable of providing much insight, they may not accurately reflect the combustion behavior of real diesel fuel; choices only based on physical properties might not be appropriate to predict the chemical processes. An overview of diesel surrogate can be found in the overview papers of Farrell et al [1] and Battin-Leclerc [9].…”