Importing the Complex Chemistry Definition

The ASCII Chemkin file set consists of a chemical mechanism file, a thermodynamics file and a transport file. The chemical mechanism file contains a list of the species and their reaction rates. The thermodynamic file contains the elemental composition of the species, as well as the thermodynamic properties to calculate the specific heat, enthalpy and entropy. The transport file contains the kinetic theory parameters to calculate molecular transport properties and can be optionally imported.

By default, the Complex Chemistry model uses the CVODE solver to integrate the chemistry over a time-step. However, this process is computationally expensive. To mitigate the expense, Simcenter STAR-CCM+ automatically activates Clustering on the Chemistry Acceleration node that belongs to the Complex Chemistry model. In Situ Adaptive Tabulation (ISAT) is also available, but is not necessary for the case in this tutorial.

Import the complex chemistry definition [984] from the Simcenter STAR-CCM+ repository.
  1. Right-click the Models > Complex Chemistry node and select Import Chemistry Definition (Chemkin format).
  2. In the Import Chemkin Files dialog:
    1. Deactivate Import Transport Properties File, and select the following files from the folder of the downloaded tutorial files, reactingFlow/jetFlame/:
      Chemical Mechanism File chem.inp
      Thermodynamic Properties File therm.dat
    2. Click OK.
    The Multi-Component Gas > Gas Components node is populated with all of the gas species in the mechanism and the Reacting > Reactions node is populated with all of the reactions in the mechanism.
The acceleration factor specifies the level of linearization that is applied to the stiff complex chemistry reaction source terms. Simcenter STAR-CCM+ provides the option to dynamically adjust the acceleration factor that is used as the solution proceeds.
  1. Select the Complex Chemistry > Acceleration Factor Control node and activate Automatic Control.