Species Thermodynamics
The Species Thermodynamics node () creates variables for the enthalpies, entropies, and heat capacities for all the species/surface species present in the Species Group parent feature. The purpose is to compute thermodynamic mixture properties and the heat of reactions.
This node is a subnode to the Species Group node.
Thermodynamic Properties of species
Select a Type selection for the thermodynamic properties. The NASA format alternative requires specifying several polynomial constants and is typically used together with CHEMKIN import. The User defined alternative only requires input of the Species molar enthalpy (J/mol) and the Heat capacity (J/(mol·K)).
Similar to its parent Species Group node, the checkbox Show species name from CHEMKIN file is available when its coupled Reversible Reaction Group feature is set to CHEMKIN import. Select this checkbox to show the original species names (under the column Name in CHEMKIN) from the CHEMKIN file.
CHEMKIN Import for Thermodynamic Data
This section allows import of thermodynamic CHEMKIN transport files. To import the data directly into the table columns, click Browse to locate the CHEMKIN file to be imported, then click Import. Note that this can only be done for the NASA format option.