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14.1.9 Importing a Volumetric Kinetic Mechanism in CHEMKIN Format

If you have a gas phase chemical mechanism in CHEMKIN format, you can import the mechanism file into FLUENT using the CHEMKIN Mechanism Import panel (Figure  14.1.9).

File $\rightarrow$ Import $\rightarrow$ CHEMKIN Mechanism...

Figure 14.1.9: The CHEMKIN Mechanism Import Panel for Volumetric Kinetics
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In the CHEMKIN Mechanism Import panel

1.   Enter a name for the chemical mechanism under Material Name.

2.   Enter the path to the CHEMKIN file (e.g., path/ file.che) under Gas Phase CHEMKIN Mechanism File.

3.   Specify the location of the Gas Phase Thermodynamic Data File ( thermo.db). The format for thermo.db is detailed in the CHEMKIN manual [ 178]. The default thermo.db file in CHEMKIN is available only for gas phase species.

4.   (Optional). Import transport properties by enabling the Import Transport Property Database and entering the path to that file. If you want to use KINetics transport properties, you must first enable the KINetics from Reaction Design option in the Species panel (Figure  14.1.1). Once a file with KINetics transport properties is read, FLUENT will create a material with the specified name, which will contain the data for the species and reactions, and add it to the list of available Mixture Materials in the Materials panel. For material properties such as Viscosity, Thermal Conductivity, Mass Diffusivity, and Thermal Diffusion, listed in the Materials panel, the option reaction-design will appear in the drop-down list of each of the properties (Figure  14.1.10), allowing you to use material property values computed by KINetics.

Note that when Full Multicomponent Diffusion is enabled in the Species panel, KINetics returns full multicomponent diffusivities. If Full Multicomponent Diffusion is disabled, KINetics returns mixture averaged mass diffusivities for each species.

Figure 14.1.10: The Material Panel When Importing CHEMKIN Transport Properties
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Note that since FLUENT does not solve for the last species, you should ensure that the last species in the CHEMKIN mechanism species list is the bulk species. If not, edit the CHEMKIN mechanism file before importing it into FLUENT, and move the bulk species (i.e. the species in your system with the largest total mass) to the end of the species list.

5.   Click the Import button.

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Note that the CHEMKIN import facility does not provide full compatibility with all CHEMKIN rate formulations and that to access more complete functionality, you should consider the KINetics module option described in Section  14.1.3

For information on importing a surface kinetic mechanism in CHEMKIN format, see Section  14.2.6.


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© Fluent Inc. 2006-09-20