Identification of complex multiphase reaction systems
The quality of model predictability however depends on a variety of aspects such as accuracy of experimental data, experimental conditions under which data were gained, choice of an appropriate model and reliable identification of the unknown model parameters. With regard to these aspects, approaches for the efficient model identification, together with known methods for model discrimination and optimal experimental design, as they are used for the selection of a model structure from a set of known competing models, will be integrated in a methodology, which supports the overall identification process.
A method for the efficient identification of kinetic models has already been developed in this project, which is funded by the DFG via the CRC 540 since 1998. The application of this methodology to reactive systems, which are investigated within the CRC 540 and the further development of the method as needed are currently the central tasks.
The research focuses especially on the identification of multi-phase reactive systems, where mass transfer and reaction kinetics occur simultaneously. These complex systems set a high burden to the identification task. Good results can only be obtained using an integrated approach, where optimally informative experiments are combined with an effective identification methodology.
|Funded by:||Haushalt (frueher SFB 540)|
|Cooperation:||AVT.BioVT, Fraunhofer ILT, Lehrstuhl fuer Biotechnologie, ITMC|
Michael Zavrel, Thomas Schmidt, Claas Michalik, Marion Ansorge-Schumacher, Wolfgang Marquardt, Jochen Büchs, Antje Spieß: Mechanistic kinetic model for symmetric carboligations using benzaldehyde lyase. Biotechnology and Bioengineering, 2008, 101(1), 27-38
Antje Spieß, Michael Zavrel, Marion Ansorge-Schumacher, Christoph Janzen, Claas Michalik, Thomas Schmidt, Tilman Schwendt, Jochen Büchs, Reinhart Poprawe, Wolfgang Marquardt: Model discrimination for the propionic acid diffusion into hydrogel beads using lifetime confocal laser scanning microscopy. Chemical Engineering Science, 2008, 63(2), 3457-3465
Claas Michalik, T. Schmidt, Michael Zavrel, M. Ansorge-Schumacher, Antje Spieß, Wolfgang Marquardt: Application of the incremental identification method to the formate oxidation using formate dehydrogenase. Chemical Engineering Science, 2007, 62(3), 5592-5597
Claas Michalik, Ralf Hannemann, Wolfgang Marquardt: Incremental single shooting - a robust method for the estimation of parameters in dynamical systems. Computers & Chemical Engineering, 2009, 33, 1298-1305
Claas Michalik, Benoit Chachuat, Wolfgang Marquardt: IGPE - A novel method for efficient global parameter estimation in dynamical systems. In: I. Troch, F. Breitenecker (Eds.): ARGESIM-Report No. 35, 2331 – 2338
Claas Michalik, Marc Brendel, Wolfgang Marquardt: Incremental identification of fluid multi-phase reaction systems. AlChE Journal, 2009, 55(4), 1009-1022
Claas Michalik, Benoit Chachuat, Wolfgang Marquardt: Incremental global parameter estimation in dynamical systems. Industrial & Engineering Chemistry Research, 2009, 48, 5489-5497
Olaf Kahrs, Marc Brendel, Claas Michalik, Wolfgang Marquardt: Incremental identification of hybrid models of dynamic process systems. In: Paul M.J. Van den Hof, Carsten W. Scherer and Peter S.C. Heuberger (Eds.): Model-Based Control; Bridging Rigorous Theory and Advanced Technology, Springer, Dordrecht, 2009, 185-202
T. Schmidt, Claas Michalik, Michael Zavrel, Antje Spieß, Wolfgang Marquardt, M. Ansorge-Schumacher: Mechanistic model for prediction of formate dehydrogenase kinetics under industrially relevant conditions. Biotechnol. Progr., 2009, 26, 73–78
Claas Michalik, Maxim Stuckert, Wolfgang Marquardt: Optimal experimental design for discriminating numerous model candidates - The AWDC Criterion. Industrial & Engineering Chemistry Research, 2009, 49(2), 913-919
Claas Michalik, Benoît Chachuat, Wolfgang Marquardt: Incremental global parameter estimation in dynamic models. In: 8th World Congress of Chemical Engineering, Montreal, Canada, 23-27.08.2009 (accepted)
Tilman Schwendt, Alexander Dennig, Claas Michalik, Michael Zavrel, Christoph Janzen, Antje Spieß, Reinhart Poprawe: Determination of temporal and spatial concentration gradients in hydrogel beads using multiphoton microscopy techniques. Submitted for: Applied Spectroscopy, submitted(-), -