The problem setup for species transport and volumetric reactions begins in the
Species Model panel (Figure
14.1.1). For cases which involve multiphase species transport and reactions, refer to Section
DefineModelsSpeciesTransport & Reaction...
Figure 14.1.1: The
Species Model Panel
Reactions, turn on
Mixture Material drop-down list under
Mixture Properties, choose which mixture material you want to use in your problem. The drop-down list will include all of the mixtures that are currently defined in the database. To check the properties of a mixture material, select it and click the
Edit... button. If the mixture you want to use is not in the list, choose the
mixture-template material, and see Section
14.1.4 for details on setting your mixture's properties. If there is a mixture material listed that is similar to your desired mixture, you may choose that material and see Section
14.1.4 for details on modifying properties of an existing material.
When you choose the
Mixture Material, the
Number of Volumetric Species in the mixture will be displayed in the panel for your information.
Note that if you re-open the
Species Model panel after species transport has already been enabled, only the mixture materials available in your case will appear in the list. You can add more mixture materials to your case by copying them from the database, as described in Section
8.1.2, or by creating a new mixture, as described in Sections
As mentioned in Section
14.1.2, modeling parameters for the species transport and (if relevant) reactions will automatically be loaded from the database. If any information is missing, you will be informed of this after you click on
OK in the
Species Model panel. If you want to check or modify any properties of the mixture material, you will use the
Materials panel, as described in Section
Turbulence-Chemistry Interaction model. Four models are available:
computes only the Arrhenius rate (see Equation
14.1-8) and neglects turbulence-chemistry interaction.
(for turbulent flows) computes both the Arrhenius rate and the mixing rate and uses the smaller of the two.
(for turbulent flows) computes only the mixing rate
(for turbulent flows) models turbulence-chemistry interaction with detailed chemical mechanisms
If you selected
EDC, you have the option to modify the
Volume Fraction Constant and the
Time Scale Constant (
14.1-30), although the default values are recommended. Further, to reduce the computational expense of the chemistry calculations, you can increase the number of
Flow Iterations per Chemistry Update. By default,
FLUENT will update the chemistry one per 10 flow iterations. For details about using the
Integration Parameters... option, under
Reactions, see Section
(optional) If you want to model full multicomponent diffusion or thermal diffusion, turn on the
Full Multicomponent Diffusion or
Thermal Diffusion option.
KINetics from Reaction Design for laminar reactions, will allow you to use the proprietary reaction-rate utilities and solution algorithms from Reaction Design, which is based on and compatible with their CHEMKIN technology [
178]. For EDC Turbulence-Chemistry Interaction and the Composition PDF Transport model, enabling the
KINetics from Reaction Design option will allow you to use reaction rates from Reaction Design's KINetics module, instead of the default
FLUENT reaction rates.
FLUENT's ISAT algorithm is employed to integrate these rates. Please refer to the KINetics for Fluent manual [
3] from Reaction Design for details on the chemistry formulation options. For more information, or to obtain a license to the Fluent/KINetics module, please contact Reaction Design at firstname.lastname@example.org or +1 858-550-1920, or go to http://www.reactiondesign.com