CERFACS Chemistry Sharing knowledge for CFD chemical kinetics

Registering mechanisms on the website

You want your own mechanism to be displayed on this website ? Please check the following procedure.

1. Integration Strategy

For external people, if you want your mechanism to be displayed on the website, please send a mail to the person in charge.
For CERFACS people, if a mechanism is referred to in an official document (a project report, a paper, a PhD thesis, internship report, etc …), it must be registered. Two cases may then be discretized :

  • for some particular cases, if a mechanism is only used in Cantera or ARCANE, it is sufficient to register it on the chemistry website. The procedure is discribed below.
  • most of the mechanisms are used in Cantera and in AVBP. As a consequence, they must be registered both on the chemistry website and in AVBP code. For the integration in AVBP, please go to this page.

2. Mechanism naming

Your mechanisms should be named in a proper manner before being registered. The nomenclature chosen is the following:



  • PLASMA : word to be set only if the scheme was developed for plasma purposes.
  • FUEL1-FUEL2-FUEL3 : word representing the name of the fuels (ex: CH4), the blend (ex: NH3-H2-CH4) or the acronym (ex: JetA) for which the scheme has been developed. If no fuel was used, put the dilutant.
  • OXIDIZER : word to be set only if the oxidizer is different from air (ex: _oO2).
  • POLLUTANTS : word to be set only if pollutants were specified (ex: _pNOX).
  • INHIBITORS : word to be set only if inhibitors were specified (ex: _iNA).
  • NS : represents the number of transported species in the mechanism.
  • NREAC : represents the number of irreversible reactions in the mechanism.
  • NQSS : represents the number of Quasi Steady-State species in the mechanism. If none, please put 0.
  • AUTHOR : initials of the author that created the mechanism.

3. Procedure to integrate properly mechanisms in the website

The following files are required to ensure a correct mechanism registration :

  • a “.cti” file (example) for the mechanism you want to integrate and their parent mechanism (detailed and/or skeletal) if the mechanism is reduced.
  • a “.f90” file (example) if the mechanism you want to integrate is an Analytically Reduced Chemistry.
  • a “.txt” file for information concerning the reduction (example). If you have created the “.f90 file” using ARCANE, no need to provide this file as those information should already be present in the header. Here are the keywords you should fill:
    @details => Gives the purpose of the mechanism.
    @author => Gives the full name of the author.
    @date => Gives the date at which the mechanism was developed.
    @since => Gives the version of cantera used.
    @detailed_mechanism => Gives the name of the detailed mechanism where the reduction comes from.
    @fuel => Gives the fuels used.
    @oxidizer => Gives the oxidizer used.
    @cases/errors => Gives the cases and errors on which the mechanism was validated.
    @publications => Gives the publications associated to the mechanism.
    @others => Gives other detailed to the user.
    Fields “detailed_mechanism” and “cases/errors” are only needed for reduced mechanisms.
  • validation files of your reduction (example), if a reduced mechanism is put on the website. For instance sL vs phi, tig vs T, etc …
  • tell in the corpus of the e-mail whether you want the mechanism to be public (everyone can access to the files) or private (files are protected with a password).

Once you have those information, create a zip file and submit it here.

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