Add user-defined components to a compositional Fluid Type

A user-defined component is a new component based on a known library component and specific to a simulation. You can add a user-defined component to a Fluid Type to model new process concepts with hypothetical components, new isomers, or unknown components. You may encounter situations where you need to include ill-characterized species in your heat-and-material-balance simulations. These components are often isomers, reaction side-products, or hypothesized components that may form under intermediate conditions.

There may also be situations where you cannot provide full characterization of the components, which can lack validated pure component vapor pressures. Adding these components as petro components would not serve this purpose, as petro components use their own methods for setting various properties based on specific gravity, molecular weight, and normal boiling point. Therefore, it is essential to support user-defined components in the fluid.

Create a user-defined component in the Component List section

1. In the Fluid Editor, expand the Component List section.

2. Select Make a copy as a new user component.

   

3. In the Add Component list, select the thermodynamic library data bank that you want to copy one of its components.

   The default data bank is System:SIMSCI, which is the standard data bank in the default thermodynamic library that comes along with the AVEVA Process Simulation install.

   If you do not know the library name of the component that you want to copy, search for the component in the Component Browser section to check which library it belongs to.

4. In the Add Component box, enter the component name you want to copy its library data from, and then press Enter or select Add Library Component .

   The software adds the user-defined component to the Component List and enters the following data into its entry:

   • Name: User[number]

     Where [number] is based on the order the user-component was added to the Component List. For example, User1, User2, and User3.

   • Type: User

     You cannot change a user-defined component Type to Library.

   • Description: Copy of component [name of copied component] from bank [name of copied thermodynamic data bank].

     The user-defined component retrieves all of the pure component data from the library component and is not connected to that library. Therefore, the user-defined component does not have a Full Name, Bank, Formula, and Chemical Abstracts Service (CAS) Registry Number. You can update the Full Name, Formula, and CAS Registry Number (CAS No) in the Component Data section as outlined later in this procedure.

     The user-defined component does not contain a copy of the method specific data, such as the binary interaction parameter (BIP) fill data.

     

5. (Optional) In the Component List, in the Name column, rename the user-defined component.

6. Expand the Component Data section, and then update the Constants and Temperature Dependent property data as you require.

   If you enter or update a value, a badge appears next to the component category and component name.

   When you make a copy of a library component for the user-defined component, the Full Name, CAS No, and Formula fields are left empty. You can enter data for these fields in the Constants section under Summary as you require.

   

   The software saves your changes in the Component Data section only to the user-defined component. The software does not apply your changes to the original component and library as they are not connected to the user-defined component.

   The SimSci ID for every user-defined component is -200, and you cannot change it.