3.2.1. Opening an Uncertainty Analysis Dialog for Chemistry Properties

Once you have the Pre-Processing panel open and the chemistry set has been pre-processed, the Mechanism Parameters tab becomes activated. This tab will display the chemistry set and its associated properties in the Ansys Chemkin Interface. It includes:

  • A Species sub-tab that displays species thermodynamic data, bulk species mass density, and transport data, if available.

  • A Reaction sub-tab that displays Arrhenius reaction-rate parameters and auxiliary reaction-rate parameters for gas-phase and surface reactions.

  • A Surface Phases sub-tab, if surface chemistry is present, that displays surface site density.

The following steps describe how to open an Uncertainty Analysis dialog for the pre-exponential factor of the gas-phase reaction O + H2 = OH + H:

  1. Go to the Reaction sub-tab.

  2. Click the Select Species pull-down and select O.

  3. Click the Select Species pull-down again and select H2.

  4. Click the Search Reactions button to search for all reactions containing these two species. The results of the search will be displayed in the bottom half of the panel. If no reaction can be found satisfying the search criteria, a message will be displayed instead.

  5. Go to the search result area and click the pull-down list to get the reaction. You will see the Arrhenius parameters of the reaction O + H2 = OH + H displayed in the panel, as shown in Figure 3.1: closed_homogeneous__transient.ckprj — Pre-exponential Factor of O + H2 = OH + H.

  6. Click the Uncertainty Analysis icon to the right of the Pre-exponential factor A to open the Uncertainty Analysis dialog.

Figure 3.1: closed_homogeneous__transient.ckprj — Pre-exponential Factor of O + H2 = OH + H

closed_homogeneous__transient.ckprj — Pre-exponential Factor of O + H2 = OH + H