Here are the mechanisms which will be detailed in the following section :
- Detailed mechanisms :
- Analytically reduced mechanisms :
- Global mechanisms :
They are sorted in decending order of complexity. You can find all data provied on this page on the online database
Please, note that unless explicitly specified, the output files provided in this website are a mean of comparison and are not necessarily formatted to be used as a restart file for cantera/can2av/...
The original detailed mechanism for a surrogate kerosene involves 225 species and 1800 reversible reactions. The surrogate is made up of 74% of NC10H22 , 15% of PHC3H7 and 11% of CYC9H18. Another version of this mechanism, involving 209 species and 1673 reactions, was derived to be valid under high pressure. More information about this "high pressure" version can be found on this article.
Equilibrium is computed for two different conditions of temperature and pressure, with the "high pressure" mechanism : (300 K, 1 atm) and (600 K, 5 atm) with NC10H22 as fuel species. The adiabatic flame temperature is determined for different stoichiometric ratios. The following result files (.csv) can be opened in any spreadsheet software (Excel, Calc..) :
Two types homogenous reactors are computed, with NC10H22 as fuel species, and with the "high pressure" mechanism:
Luche derived a series of skeletal mechanisms, based upon the original Dagaut mechanism. Two of them are available on this file. They can be employed to compute the same surrogate than the one used in Dagaut's model. The first skeletal mechanism is comprised of 91 species and 991 reacions, while the second one contains 89 species and 680 reactions. They differ only from the threshold applied on the flux of N species. They are valid over a wide range of pressure ([0.5;10]atm), gas temperature ([300;1800] K), and equivalence ratios ([0.5;2.0]). More information on Luche's thesis, available here.
Equilibrium is computed for two diferent conditions of temperature and pressure : (300 K, 1 atm) and (600 K, 5 atm) with NC10H22 as fuel species. The mechanism with 91 species is employed. The adiabatic flame temperature is determined for different stoichiometric ratios. The following result files (.csv) can be opened in any spreadsheet software (Excel, Calc..) :
Two types homogenous reactors are computed with NC10H22 as fuel species. The mechanism with 91 species is employed:
This detailed mechanism is a model tailored for the combustion of jet-fuel surrogate. The version 2.0 proposed contains 348 species and 2163 reactions. Information about it can be found on this dedicated website. Note that a reduced version of the mechanism is also available, comprised of 123 species and 977 reactions (V1.0-1). For more information about the operating range, visit this dedicated website.
1D freely-propagating premixed flame are computed with the reduced JetSurf mechanism (V1.0-1):
Analytically reduced mechanisms
What differs with those type of mechanisms is that the source term of each species that remain is not expressed anymore as a combination of elementary reaction rates; but rather as a complex relation involving the detailed mechanism's reaction rates as well as the concentration of species that may not be amongst the reduced species set. Those mechanisms are characterized by the retained species, and are not associated with a "real" set of reactions, so that they require a special subroutine to override the classical evaluation of the species' source terms.
This mechanism is tailored for the combustion of n-dodecane as an aviation fuel surrogate. It was derived based on the JetSurf mechanism (V1.0-1), with added NOx submechanism (from the Luche mechanism). It contains 27 transported species. Information about it can be found in Thomas Jaravel's PhD thesis.
Note that this mechanism was derived for a very specific operating range, on 1D canonical premixed flames: equivalence ratio comprised between 0.6 and 1.4, pressure of 9.2 bars and initial temperature of 700 K.
All necessary files for a CANTERA computation (simplified AVBP transport and kinetic subroutine) can be found on this file.
1D freely-propagating premixed flame are computed:
Note that this mechanism was derived for a very specific operating range, on 1D canonical premixed flames: equivalence ratio comprised between 0.6 and 2.4, pressure of 10 bars and initial temperature of 730 K. Acetylene was specifically targeted in the reduction.
The necessary kinetic subroutine for an AVBP computation can be found here. Note that this mechanism is already implemented in the latest AVBP releases ! All necessary files for a CANTERA computation (simplified AVBP transport and kinetic subroutine) can be found on this file.
The BFER's mechanism is a two-step scheme for an equivalent modified C10H20 kerosene. Two reactions are then used : the fuel oxidation and the CO - CO2 equilibrium among which 6 species are used. It is presented in the context of Large Eddy Simulation of reacting turbulent flows in industrial applications. The mechanism is designed and performs correctly predicted results in a wide range of pressure ([1;12]atm), fresh gas temperature ([300;700] K), and equivalence ratio ([0.6;2.0]).
- Consant Volume reactor at 1200K - 6atm - Phi = 1
- Constant Pressure reactor at 1200K - 1 atm - Phi = 1
- 1D Flame
Equilibrium is computed at two diferent conditions of temparature and pression : (300K,1atm) and (600K,5atm). The adiabatic flame temperature is determined for different stoichiometric ratios. The following results file (.csv) can be opened in any spreadsheet software (Excel, Calc..) :
The mechanism is computed on two types homogenous reactor :
A data file is provided below, which can be used as an initial guess for the can2av tool :
In order to compute this mechanism with the AVBP transport model you'll need the following input files (.dat) :
And if you want to perform calculation with rich mixtures, you might want to use the PEA formalism (se the AVBP website for more information on the PEA formalism) :
A script is also provided, that enables you to compute any operating point of interest with cantera version 2.1.1 and to save properly your results so that you can perform a can2av with the version 7 of AVBP.