Override the interaction parameters for the eNRTL method

The eNRTL tab in the Method Data section contains a list of types of interaction parameters that you can view and override. Once you select an interaction parameter type, you can view and override the interaction parameters of that type in a data table. The data table contains a row for each component combination and a cell for each corresponding interaction parameter.

When you locally override the values for an interaction parameter, a blue badge appears at the start of the row for that component combination and next to the corresponding interaction parameter type in the list. This allows you to quickly locate the overridden interaction parameters on the eNRTL tab.

To help you more quickly define your interaction parameters, the software automatically updates some interaction parameters when a component meets certain conditions:

• When data for the dielectric constant is present for a component, the software defines that component as a solvent and sets the aij parameter for the ternary interaction data to 0.2 for any ternary groups that include the component.

• The software internally marks any solid components as salts even if no unary data is available.

Currently, you cannot modify the unary interaction parameters.

Override the thermodynamic data for a Fluid Type that uses the eNRTL method

1. In the Fluid Editor, expand the Method Data section, and then select the eNRTL tab.

2. In the type list, select the type of interaction parameter that you want to view.

   The interaction data of that type appears in the table on the eNRTL tab.

3. In the table, change the interaction parameters as desired.

   A blue badge appears at the start of any row whose data you modify and next to the corresponding interaction parameter type in the list.

   

   Tip: To return an interaction parameter to the value from the thermodynamic library, delete the value in the corresponding cell, and then press Enter.