A complex chemical kinetic mechanism for the oxidation of gasoline surrogate fuels: n heptane, iso octane and toluene - Mechanism development and validation

A. Pires da Cruz (1) , C. Pera (1) , Jörg Anderlohr (1, 2) , Roda Bounaceur (2) , Frédérique Battin-Leclerc (2)

1 IFPEN - IFP Energies nouvelles
2 DCPR - Département de Chimie Physique des Réactions

The development and validation against experimental results of a new gasoline surrogate complex kinetic mechanism is presented in this paper. The surrogate fuel is a ternary mixture of n heptane, iso octane and toluene. The full three components mechanism is based on existing n heptane/iso octane (gasoline PRF) and toluene mechanisms which were modified and coupled for the purpose of this work. Mechanism results are compared against available experimental data from the literature. Simulations with the PRF plus toluene mechanism show that its behavior is in agreement with experimental results for most of the tested settings. These include a wide variety of thermodynamic conditions and fuel proportions in experimental configurations such as HCCI engine experiments, rapid compression machines, a shock tube and a jet stirred reactor.

Domains: Chemical Physics [physics.chem-ph]

A. Pires da Cruz, C. Pera, Jörg Anderlohr, Roda Bounaceur, Frédérique Battin-Leclerc. A complex chemical kinetic mechanism for the oxidation of gasoline surrogate fuels: n heptane, iso octane and toluene - Mechanism development and validation. Proceedings of the European Combustion Meeting 2007, Apr 2007, Chania, Greece. pp.CD-ROM du congrès. ⟨hal-00370855⟩