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.