PRO/II predicts properties from structure using established correlations and techniques. The method is based on a large database of components, from which group parameters for 42 different functional groups have been determined.
Usage
From the Component Properties Main Window, push the UNIFAC Structures button.
The Component Properties - UNIFAC Structures window appears. For all components that are designated "Fill from Structure", you must enter a UNIFAC Structure. Push the UNIFAC Structure button adjacent to the component of interest to bring up the Component UNIFAC Structure - Define Structure window, where you can choose from families of components or from the UNIFAC group number directly.
The UNIFAC structures that are displayed in this window are SIMSCI group numbers. PRO/II displays SIMSCI group IDs and structures by default.
Select a particular category, the UNIFAC group and click the Add Group button. The particular group gets added. User can also modify the number of occurrences of the group by editing in the Number column.