A simultaneous approach for calibrating Rate Based Models of packed distillation columns based on multiple experiments

• Published in: Chemical engineering science 2013-12, Vol.104, p.228-232
• Main Authors: Bonilla, J., Logist, F., Huyck, B., Degrève, J., De Moor, B., Van Impe, J.
• Format: Article
• Language: English
• Subjects: Calibration; Chemical engineering; Distillation; equations; Jacobians; Mathematical analysis; Mathematical models; Nonlinear programming; Packed columns; Parameter estimation; prediction; Sensitivity analysis; Simultaneous estimation; Steady state; Structure exploitation
• ISSN: 0009-2509; 1873-4405
• DOI: 10.1016/j.ces.2013.08.058

This paper presents the calibration of a steady state Rate Based Model (RBM) for distillation based on multiple experiments. A packed column is considered, using non-equilibrium stages to represent the packing segments. For an efficient and accurate calibration, the number of model equations and parameters is first reduced via analytical manipulations and a sensitivity analysis. Second, the model is formulated such that a sparse and banded Jacobian can be exploited. Finally, novel constraints on the physical parameters are derived such that the parameter estimation yields consistent results. The model prediction capabilities are successfully validated with experimental data. •A packed distillation column is modeled with non-equilibrium stages using multiple experiments simultaneously.•The number of model equations and parameters is reduced via analytical manipulations and sensitivity analyses.•The sparse structure of the model Jacobian is exploited.•Novel constraints on the parameters are imposed to yield consistent parameter estimates.•The calibrated model has been successfully validated with experimental data.