Modeling of NO sensitization of IC engines surrogate fuels auto-ignition and combustion

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

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

This paper presents a new chemical kinetic model developed for the simulation of auto-ignition and combustion of engine surrogate fuel mixtures sensitized by the presence of NOx. The chemical mechanism is based on the PRF auto-ignition model (n-heptane/iso-octane) of Buda et al. [1] and the NO/n-butane/n-pentane model of Glaude et al. [2]. The later mechanism has been taken as a reference for the reactions of NOx with larger alcanes (n-heptane, iso-octane). A coherent two components engine fuel surrogate mechanism has been generated which accounts for the influence of NOx on auto-ignition. The mechanism has been validated for temperatures between 700 K and 1100 K and pressures between 1 and 10 atm covering the temperature and pressure ranges characteristic of engine post-oxidation thermodynamic conditions. Experiments used for validation include jet stirred reactor conditions for species evolution as a function of temperature, as well as diesel HCCI engine experiments for auto-ignition delay time measurements.

Domaines: Chimie-Physique [physics.chem-ph]

Jörg Anderlohr, A. Pires da Cruz, Roda Bounaceur, Frédérique Battin-Leclerc. Modeling of NO sensitization of IC engines surrogate fuels auto-ignition and combustion. 21st International Colloquium on the Dynamics of Explosions and Reactive Systems, Jul 2007, Poitiers, France. pp.Congress CD ROM. ⟨hal-00370835⟩