How to get rid-off the following message “FUNCTIONAL GROUP GENERATION FOR THE UNIF-LBY METHOD CANNOT BE COMPLETED FOR COMPONENT X. THE FOLLOWING ATOMS WERE NOT MATCHED” in physical property system?
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Products:
Aspen Plus
Last Updated:
30-May-2022
Last Updated:
30-May-2022
Versions:
Article ID:
000099821
Article ID:
000099821
Primary Subject:
Problem Statement
How to get rid-off the following message “FUNCTIONAL GROUP GENERATION FOR THE UNIF-LBY METHOD CANNOT BE COMPLETED FOR COMPONENT X. THE FOLLOWING ATOMS WERE NOT MATCHED” in physical property system?
Solution
The warning message mean that the component pair is not available with UNIFAC and other available methods (for group contribution).
Users need to rely only on the experimental values. Due to bonding group unavailability, only experimental values need to be used and regressed.
The reason is that you have selected Estimate all missing parameters in Estimation mode, the software will try all possible calculation methods, including UNIF-LBY. But as the warning shows, UNIF-LBY cannot decompose into functional group representations out, so a warning message is displayed.
If you want to eliminate this message, just select "Do not estimate any parameters" in Estimation mode:
By default, estimate all missing parameters can be run once, and the estimated results will be saved in the method|parameters folder. So, it is not necessary to select estimate all missing parameters all the time.
Keywords
Aspen Plus, Functional Group, Atoms