CERFACS Chemistry Sharing knowledge for CFD chemical kinetics

NC7H16_pNOx_49_246_0_TN skeletal mechanism

ID

Type of mechanismSkeletal
Fuelsn-heptane
OxidizerAir
Number of species49
Number of reversible reactions249


About

  • This mechanism has been derived by Thomas Naess at CERFACS.
  • It is derived from the detailed Polimi scheme CRECK_2003_TOT_NOX using ARCANE.
  • This mechanism can be used for n-heptane combustion in air with NO prediction at atmospheric conditions.
  • Validity have been evaluated for 1D premixed flames on the following range: P = 1 atm, T = 298K – 650K, phi = 0.5 – 2.
  • Validity have been evaluated for 1D non-premixed flames on the following range: P = 1 atm, T = 298K, chist = 0.2 s^-1 – 7 s^-1.
  • The ARC mechanism comprises 49 transported species and 249 reversible reactions.

Citation

  • Hierarchical and comparative kinetic modeling of laminar flame speeds of hydrocarbon and oxygenated fuels, E. Ranzi et al, Progress in Energy and Combustion Science (2012)   
  • New reaction classes in the kinetic modeling of low temperature oxidation of n-alkanes, E. Ranzi et al, Combustion and Flame (2014)
  • creckmodeling.chem.polimi.it

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