The Activity-Coefficient Model Fitting Process (Mixtures)

The quality of results obtained in the fitting of Activity-Coefficient Models in TDE are sensitive to many factors and often require user involvement for optimization.

Model-related factors can be controlled through the Model-Fitting Control Center

Example of the AC-model Fitting Process: LLE + Activity Coefficient Data

Factors related to Experimental Data

• Extent of temperature, pressure, and composition range
• Availability of particular data types
• Uncertainty, i.e., the quality of the data

Factors related to the Model

• Relative Weighting of the experimental data
• Activity Coefficient Model choice
• Temperature Dependence formulatioin for activity coefficients