Evaluation of Parameter Fitting Procedures for Rigorous Equilibrium Model Development

An automated procedure for optimizing interaction parameters in the extended UNIQUAC model is proposed. This method avoids manual manipulation and guessing of parameters. Some results of the implementation of the procedure for CO2 loaded piperazine, AMP and MEA are shown and demonstrate the performance of the procedure. In addition, some general problems associated with parameter fitting of this type of model and choice of objective function are discussed. Finally, if there are not enough experimental data for obtaining good predictions for all variables and operational ranges desired, some solutions are suggested to partially overcome this problem.