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

The example involves fitting of the UNIQUAC Model to LLE-data (with an upper consolute point) and Activity Coefficient data (at infinite dilution) for (methylcyclopentane + N-formylmorpholine).

The Example demonstrates use of the Model Fitting Control Center for application of Activity Coefficient Models.

Issues addressed include:

• Selection of a model
• Fitting of an Activity Coefficient model to experimental data
• Reviewing plots of results (experimental data with fitted model)
• De-selecting (or re-weighting) specific data for improved results
• Selection of the temperature-dependence formulation for activity coefficients

The Example: FITTING PROCESS (pdf) shows the evaluation process starting from after selection of compounds and loading of Experimental and Predicted Data by TDE

Selection of components and the general evaluation process are described elsewhere.