C1-C4 mechanism with PAH formation

The mechanism has been developed to model aromatic and PAH formation in a fuel-rich, n-butane/oxygen/argon, atmospheric flame, and a fuel-rich propane flame. The chemical kinetic mechanism has been previously validated for modeling ethane, ethylene, and methane fuel-rich flames.

Download files (CHEMKIN format):

• Thermodynamic parameters
• Chemical kinetic mechanism
• Transport data

Reference

Marinov, N. M., W. J. Pitz, C. K. Westbrook, A. M. Vincitore, M. J. Castaldi, S. M. Senkan, "Aromatic and Polycyclic Aromatic Hydrocarbon Formation in a Laminar Premixed n-Butane Flame," Combustion and Flame 114, 192-213 (1998).