CTI Files - Linux


The chemistry data including reaction rate constants, thermodynamic data, and transport data used in Cantera is formated in the cti style. The *.cti files that are included with the Cantera installation can be found at
CANTERA/data/
where CANTERA is the cantera directory on the given machine. When adding new cti files, it is most convenient to save them to this directory so that Cantera can find the data easily.

Generating new CTI Files

Visit the Cantera Sourceforge project, download the cantera documentation, and refer to
definingphases.pdf

Converting Legacy files to CTI format - Linux

The Cantera installation includes an executable (ck2cti.exe) to convert the standard CHEMKIN format to the cti format. CHEMKIN requires three files of chemistry data: an input file, a thermo data file, and a transport data file. Many computations can be run without the transport data, so ck2cti allows for the transport data to be excluded.

Follow the instructions below to run ck2cti and create additional cti files
  1. Save the input file and thermo data file to
    CANTERA/bin/
  2. Optional: Save the transport data file to
    CANTERA/bin/
  3. Go to directory
    CANTERA/bin/
  4. Run ck2cti This will create a cti file with the same name as the input file.
  5. Move
    input.cti
    to
    CANTERA/data/
Included below are sample input and output files for CH2(S) not including transport data. The output file was generated by the procedure outlined above. The header of the input file contains formatting instructions. Formatting details for the thermo and transport input files are discussed in the CHEMKIN manual (Kee et al.). Cantera does not currently support the "new" CHEMKIN format.