Reversible Reaction Group
The Reversible Reaction Group node () allows input of a large number of reversible reactions in the same table. All reactions are treated in the same way. More than one Reversible Reaction Group can be added to a component. The feature is typically used when importing CHEMKIN kinetics files.
Add the node from the Chemistry toolbar or right-click Chemistry and add it from the context menu.
For the case when reaction kinetics data are entered manually into the Reaction table and temperature dependent reaction kinetics apply (Feature Nodes Available for the Chemistry Interface check box is selected), right-click to add a Reaction Thermodynamics subnode or select it from the Chemistry toolbar, Attributes menu. In it, the Enthalpy of Reaction (J/mol) for each reaction can be specified.
Reaction Table
The reversible reactions in the Reaction table are numbered and contain reactants, products, and kinetic parameters describing the reaction. Use the buttons under the Reaction table to add and sort the reaction details.
•
In general, use the Move Up (), Move Down (), and Delete () buttons and the fields under tables to edit the table contents. Or right-click a table cell and select Move Up, Move Down, or Delete.
•
The Add button () adds default reactant, A, and product, B, with a default. Click the corresponding field to edit the reactant, product, or parameters. After editing the Species Group node is also updated. It is created together with the reaction group.
•
You can save the parameters to a text file to reuse in other models. Click the Save to File button () and enter a File name in the Save to File dialog box, including the extension .txt. Click Save to store the parameters in a text file or in a Microsoft Excel Workbook spreadsheet if the license includes LiveLink™ for Excel®. The information is saved in space-separated columns in the same order as displayed on screen. When saving to Excel, an Excel Save dialog box appears where you can specify the sheet and range and whether to overwrite existing data or include a header.
•
You can import or load data in files from a spreadsheet program, for example, with the Load from File button () and the Load from File dialog box that appears. Data must be separated by spaces or tabs. If there is already data in the table, imported parameters are added after the last row. Move or edit rows as needed. If the license includes LiveLink™ for Excel® you can also load parameters from a Microsoft Excel Workbook spreadsheet. Then an Excel Load dialog box appears where you can specify the sheet and range and whether to overwrite existing data. It is also possible to import from a spreadsheet containing a separate column for units.
In the case of twenty or more reactions the Disable updating variables during editing table check box is available. Select this to speed up editing text fields; automatic updates related to edits do not occur until you click to clear the check box.
Create Reaction and Species
Enter a reaction number in the Moving reaction (with the number) from table text field and click Create Reaction to remove the reaction from the Reaction table to the model tree. This introduces a reaction node named after the reaction number and species names and simultaneously creates corresponding species nodes. This action is powerful, since it enables all the editing possibilities available for Reaction and Species nodes.
CHEMKIN Import for kinetics
Click to select the Import CHEMKIN data check box to import a CHEMKIN Kinetics input file. To import the data directly into the table columns, click Browse to locate the CHEMKIN file to be imported, then click Import.
CHEMKIN Data and NASA Polynomials