CERFACS Chemistry Sharing knowledge for CFD chemical kinetics

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About

• This mechanism has been derived by Quentin Malé at CERFACS.
• Derived from San Diego mechanism for atmospheric conditions (101325 Pa 298K) and large range of equivalence ratio (0.5 to 2.0) with laminar flame speeds and auto ignition times as target. C3H8/AIR mixtures. Skeletal mechanism can be found here.
• It comprises 21 transported species, 14 QSS species and 322 reactions.

Citation

Quentin Malé, Olivier Vermorel, Frédéric Ravet, Thierry Poinsot, Direct numerical simulations and models for hot burnt gases jet ignition, Combustion and Flame 223 (2021), pp. 407-422.

Files

• Yaml file
• Cti file
• Fortran file

Example of results

SLout : Laminar flame speed for multiple eq ratio 1atm 298K Original, skeletal and ARC mechanisms.

Sc : Temporal evolution of the consumption speed for strained flames at P = 1 atm, unburnt conditions: T = 298K and Φ = 0.8. Original, skeletal and ARC mechanisms.

tAI : Auto-ignition times τAI of homogeneous unburnt mixtures at P = 1 atm and Φ = 0.8. Original, skeletal and ARC mechanisms. Associated errors relative to the original mechanism.

tI : Ignition times τI of mixtures of unburnt and burnt gases at P = 1 atm, unburnt conditions: T = 298K and Φ = 0.8, burnt gases are product of fresh gases equilibrium. Original, skeletal and ARC mechanisms. Associated errors relative to the original mechanism.

time2eq : Times to go from 10 to 90 % temperature increment for mixtures of unburnt and burnt gases at P = 1 atm, unburnt conditions: T = 298K and Φ = 0.8, burnt gases are product of fresh gases equilibrium. Original, skeletal and ARC mechanisms. Associated errors relative to the original mechanism.