4.4. Running Chemkin Programs

The Ansys Chemkin distribution includes a large set of sample problems, which are described in detail in the Chemkin Tutorials. Generally, each sample consists of a pre-defined project file, a chemistry-set definition file, and the associated chemistry input files (that is, gas-phase kinetics, and in some cases surface kinetics). While these samples are ordinarily run through the Chemkin Interface by accessing the project file, it is also possible to run a Chemkin problem from the command line. In this case, however, the user must first generate the Reactor Model input file. This can be generated from the User Interface, using the Create Input Files button on the Run panel of the project tree. Alternatively, users can construct new Reactor Model input files using the keywords and syntax described in the Chemkin Input Manual. The following section illustrates how a Reactor Model program executable can be run from the command line. For the purposes of describing the commands, we assume that the root of the Chemkin installation is C:\Program Files\ANSYS Inc\V242Start > Ansys 2024 R2\reaction\chemkinpro.win64\ for PCs and $HOME⁄242⁄reaction⁄chemkinpro.linuxx8664 for Linux. Also, we will refer to the user’s home directory as <home>, which for PC users will be a folder called "chemkin" located in their user folder within "Documents and Settings" on the C: drive, by default, unless the CHEMKIN_HOME environment variable is set to a different location. For Linux users, this is the $HOME environment variable setting, unless the CHEMKIN_HOME variable points to a different location.


Note:  You can reach the root directory of the Ansys Chemkin install on a PC by typing the line command: cd "%REACTION_DIR%\chemkinpro.win64". If your DOS automatically opens to a drive other than your installation drive (for example, c:\), you may need to enter the linked commands c: && cd "%REACTION_DIR%\chemkinpro.win64"


If you changed the default location during installation, you will need to substitute the actual path where Ansys Chemkin is installed in place of these references.