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Kinetics of the Direct DME Synthesis: State of the Art and Comprehensive Comparison of Semi-Mechanistic, Data-Based and Hybrid Modeling Approaches

Delgado Otalvaro, Nirvana 1; Bilir, Pembe Gül 1; Herrera Delgado, Karla ORCID iD icon 1; Pitter, Stephan ORCID iD icon 1; Sauer, Jörg ORCID iD icon 1
1 Institut für Katalyseforschung und -technologie (IKFT), Karlsruher Institut für Technologie (KIT)

Abstract:

Hybrid kinetic models represent a promising alternative to describe and evaluate the effect of multiple variables in the performance of complex chemical processes, since they combine system knowledge and extrapolability of the (semi-)mechanistic models in a wide range of reaction conditions with the adaptability and fast convergence of data-based approaches (e.g., artificial neural networks—ANNs). For the first time, a hybrid kinetic model for the direct DME synthesis was developed consisting of a reactor model, i.e., balance equations, and an ANN for the reaction kinetics. The accuracy, computational time, interpolation and extrapolation ability of the new hybrid model were compared to those of a lumped and a data-based model with the same validity range, using both simulations and experiments. The convergence of parameter estimation and simulations with the hybrid model is much faster than with the lumped model, and the predictions show a greater degree of accuracy within the models’ validity range. A satisfactory dimension and range extrapolation was reached when the extrapolated variable was included in the knowledge module of the model. ... mehr


Verlagsausgabe §
DOI: 10.5445/IR/1000144605
Veröffentlicht am 08.04.2022
Originalveröffentlichung
DOI: 10.3390/catal12030347
Scopus
Zitationen: 4
Web of Science
Zitationen: 3
Dimensions
Zitationen: 4
Cover der Publikation
Zugehörige Institution(en) am KIT Institut für Katalyseforschung und -technologie (IKFT)
Publikationstyp Zeitschriftenaufsatz
Publikationsjahr 2022
Sprache Englisch
Identifikator ISSN: 2073-4344
KITopen-ID: 1000144605
HGF-Programm 38.03.02 (POF IV, LK 01) Power-based Fuels and Chemicals
Erschienen in Catalysts
Verlag MDPI
Band 12
Heft 3
Seiten Art.-Nr.: 347
Bemerkung zur Veröffentlichung Gefördert durch den KIT-Publikationsfonds
Vorab online veröffentlicht am 18.03.2022
Schlagwörter hybrid modeling; reaction kinetics; dimethyl ether
Nachgewiesen in Dimensions
Web of Science
Scopus
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