Thermodynamic Extrapolation - Linux

To use this program, the user must have Perl and Python interpreters installed

Unpack one of the following compressed files Please read the README file (included in the compressed file) for more details on setting this program up for your system. Below is a description of some of the files included.

To see a demonstration of the capabilities please visit the demo page

Input: Notes
  1. Writes output to "CHEMKIN_filename_highT.therm"
  2. If one of the species does not exist, this program reports that information for that species was not found and exits.

Input: Optional Input: Notes
  1. This program looks for the first instance of the species symbol given. If there are multiple entries with the same species symbol, this program will not inform the user.
  2. If the maximum temperature is greater than or equal to the Tmax requested then this program will exit with a message that "Current Data is for High Temperature"
  3. Use the geometry to find the cp_infinity. If the geometry is not specified, use the number of atoms per molecule to determine the geometry
    It is important to specify the geometry for species like CO2 because it is linear although atoms = 3.
  4. Write "coef.txt" with format:


Input: NONE