Chemkin Database Format

The information in the Chemkin database file is organized in a precise structure so that Simcenter STAR-CCM+ can read it into the simulation.

In order for Simcenter STAR-CCM+ to read the information correctly, any modifications must follow a precise syntax of position and spacing. Never modify the original Chemkin database file that is supplied with Simcenter STAR-CCM+. Make a copy of the file for modifications and keep the original somewhere safe.

The following screenshot shows an example of the top of a Chemkin database file in a text editor.



The file begins as follows:

  • The top line starts the file with THERMO.
  • The second line from the top contains temperature ranges for two sets of coefficients: lowest, common, and highest.

The body of the file contains data for the species. Each set of data for a particular species is composed of four lines, numbered 1 through 4 at the end:

  • Line 1 consists of:
    • The name of the species
    • The date
    • The atomic symbols and formula of the species
    • The phase (G = gas; L = liquid; S = solid)
    • The temperature range
  • Line 2 contains coefficients a 1 through a 5 for the upper temperature interval.
  • Line 3 contains coefficients a 6 and a 7 for the upper temperature interval, and coefficients a 1 through a 3 for the lower temperature interval.
  • Line 4 contains coefficients a 4 through a 7 for the lower temperature interval.

After the last set of numbered lines, the bottom line terminates the file with END.