Kinetic modelling of a surrogate diesel fuel applied to 3D auto-ignition in HCCI engines

The prediction of auto-ignition delay times in HCCI engines has risen interest on detailed chemical models. This paper describes a validated kinetic mechanism for the oxidation of a model Diesel fuel (n-decane and α-methylnaphthalene). The 3D model for the description of low and high temperature auto-ignition in engines is presented. The behaviour of the model fuel is compared with that of n-heptane. Simulations show that the 3D model coupled with the kinetic mechanism can reproduce experimental HCCI and Diesel engine results and that the correct modelling of auto-ignition in the cool flame region is essential in HCCI conditions.

[1]  A. Pires da Cruz,et al.  THREE-DIMENSIONAL MODELING OF SELF-IGNITION IN HCCI AND CONVENTIONAL DIESEL ENGINES , 2004 .

[2]  H. Pitsch,et al.  Detailed kinetic reaction mechanism for ignition and oxidation of α-methylnaphthalene , 1996 .

[3]  C. Shaddix,et al.  Analysis of fuel decay routes in the high-temperature oxidation of 1-methylnaphthalene , 1997 .

[4]  William J. Pitz,et al.  Oxidation of automotive primary reference fuels at elevated pressures , 1999 .

[5]  C. Westbrook,et al.  A Comprehensive Modeling Study of n-Heptane Oxidation , 1998 .

[6]  R. J. Kee,et al.  Chemkin-II : A Fortran Chemical Kinetics Package for the Analysis of Gas Phase Chemical Kinetics , 1991 .

[7]  Stephen D. Klotz,et al.  Modeling the combustion of toluene-butane blends , 1998 .

[8]  F. Battin‐Leclerc,et al.  Experimental and modeling study of the oxidation of toluene , 2005 .

[9]  N. Peters,et al.  Computational fluid dynamics modelling of non-premixed combustion in direct injection diesel engines , 2000 .

[10]  G. Adomeit,et al.  Self-Ignition of Diesel-Engine Model Fuels At High Pressures , 1997 .

[11]  P. Glaude,et al.  Experimental and modeling study of the oxidation of 1-butyne and 2-butyne , 2002 .

[12]  Jürgen Troe,et al.  Fall‐off Curves of Unimolecular Reactions , 1974 .

[13]  William H. Green,et al.  Formation of polycyclic aromatic hydrocarbons and their radicals in a nearly sooting premixed benzene flame , 2000 .

[14]  G. Adomeit,et al.  Self-ignition of diesel-relevant hydrocarbon-air mixtures under engine conditions , 1996 .

[15]  C. Muller,et al.  THERGAS: a computer program for the evaluation of thermochemical data of molecules and free radicals in the gas phase , 1995 .

[16]  F. Battin‐Leclerc,et al.  Experimental and modeling study of the oxidation of benzene , 2003 .

[17]  Olivier Colin,et al.  Detailed chemistry-based auto-ignition model including low temperature phenomena applied to 3-D engine calculations , 2005 .

[18]  J. L. Emdee,et al.  A kinetic model for the oxidation of toluene near 1200 K , 1992 .

[19]  Pierre-Alexandre Glaude,et al.  Modeling the oxidation of mixtures of primary reference automobile fuels , 2002 .

[20]  Christian Eigenbrod,et al.  Effects of dilution by aromatic hydrocarbons on staged ignition behavior of n-decane droplets , 2000 .

[21]  F. Battin‐Leclerc,et al.  Experimental and modeling of oxidation of acetylene, propyne, allene and 1,3-butadiene , 1999 .

[22]  A. Benkenida,et al.  The 3-Zones Extended Coherent Flame Model (Ecfm3z) for Computing Premixed/Diffusion Combustion , 2004 .