Optimization of Reactive Flows in a Single Channel of a Catalytic Monolith: Conversion of Ethane to Ethylene

H. G. Bock, O. Deutschmann, S. Körkel, L. Maier, H. D. Minh, J. P. Schlöder, S. Tischer and J. Warnatz
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H. G. Bock: Universität Heidelberg, Interdisziplinäxes Zentrum für Wissenschaftliches Rechnen (IWR)
O. Deutschmann: Universität Karlsruhe, Institut für Chemische Technologie und Polymerchemie
S. Körkel: Universität Heidelberg, Interdisziplinäxes Zentrum für Wissenschaftliches Rechnen (IWR)
L. Maier: Universität Karlsruhe, Institut für Chemische Technologie und Polymerchemie
H. D. Minh: Universität Heidelberg, Interdisziplinäxes Zentrum für Wissenschaftliches Rechnen (IWR)
J. P. Schlöder: Universität Heidelberg, Interdisziplinäxes Zentrum für Wissenschaftliches Rechnen (IWR)
S. Tischer: Universität Karlsruhe, Institut für Chemische Technologie und Polymerchemie
J. Warnatz: Universität Heidelberg, Interdisziplinäxes Zentrum für Wissenschaftliches Rechnen (IWR)

A chapter in Reactive Flows, Diffusion and Transport, 2007, pp 291-310 from Springer

Abstract: Summary We discuss the modeling, simulation, and, for the first time, optimization of the reactive flow in a channel of a catalytic monolith with detailed chemistry. We use boundary layer approximation to model the process and obtain a high dimensional PDE. We discuss numerical methods based on the efficient solution of high dimensional stiff DAEs arising from spatial semi-discretization and SQP method for the optimal control problem parameterized by the direct approach. We have investigated the application of conversion of ethane to ethylene which involves a complex reaction scheme for gas phase and surface chemistry. Our optimization results show that the maximum yield, an improvement of a factor of two, is achieved for temperatures around 1300 K.

Keywords: Optimal Control Problem; Reactive Flow; Oxidative Dehydrogenation; Backward Differentiation Formula; Wall Temperature Profile (search for similar items in EconPapers)
Date: 2007
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Persistent link: https://EconPapers.repec.org/RePEc:spr:sprchp:978-3-540-28396-6_11

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DOI: 10.1007/978-3-540-28396-6_11

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