2009/03/25 by Jörg Anderlohr, Anderlohr, Jörg, A. Pires da Cruz +5
Chemical Engineering · Engineering · Materials Science · #Advanced Combustion Engine Technologies #Catalytic Processes in Materials Science #Chemical Physics (physics.chem-ph) #Combustion and flame dynamics #FOS: Physical sciences
paper · pdf · doi:10.48550/arxiv.0903.4353
openalex publication_date 2009/03/25 · openalex created_date 2025/10/10 · openalex updated_date 2026/07/28
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.