Generate Chemistry
The Chemistry physics interface includes functionality to automatically define and use mixture properties by interfacing to a Thermodynamic System node. How to manually set this coupling up is described in Coupling with the Reaction Engineering and the Chemistry Interfaces.
The Generate Chemistry Wizard can be used to directly create a Chemistry physics interface from an existing Thermodynamics System node. The resulting Chemistry interface is automatically populated with the selected species, and is set up to be fully coupled to the thermodynamics. This means for example that functions for mixture properties, like the density enthalpy, are automatically defined and used in the generated Chemistry interface.
Right-click the relevant Thermodynamic System node, Predefined System node, or External Thermodynamic System node, and select Generate Chemistry to start the Generate Chemistry Wizard.
The Generate Chemistry Wizard contains the following steps:
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Select Species
Select the species to be included in the list. Use the Add All button () to add all species in the thermodynamic system. It is also possible to select a subset of the available species. In that case use the Add Selected button () to add species. The Selected species table is updated as you add species.
Click the Next button () to proceed to the next step in the wizard.
Chemistry Settings
The table at the top shows the selected species and their respective chemical formula. For each species, a corresponding Species feature will be added in the Chemistry interface. As an option, use the Name in Chemistry columns to specify another name of the species. By default the chemical formula is used.
Component
Use the Component list to select the model component to which the Chemistry interface will be added. The already existing components are shown in the top of the list. A new component can be created by selecting the desired space dimension.
Mass Transfer
The Mass transfer list controls the intended mixture type for the Chemistry interface. Select Diluted species to model a mixture where the species are assumed diluted in a high concentration solvent. For this choice, also select Solvent. Optionally, select Concentrated species to model a mixture where all species are assumed to contribute to the mixture properties. In the resulting Chemistry interface the Type setting in the Mixture Properties section is defined accordingly.
Phase
Select the Phase of the mixture from the Phase list. Included in the list are the phases available in the Thermodynamic System from which the Chemistry is generated.
Click the Finish button () to create the desired Chemistry physics interface and exit the wizard.