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  Advanced Rate-Based Simulation Tool for Reactive Distillation

Kenig, E. Y., Pyhälahti, A., Jakobsson, K., Górak, A., Aittamaa, J., & Sundmacher, K. (2004). Advanced Rate-Based Simulation Tool for Reactive Distillation. AIChE Journal, 50, 322-342. doi:10.1002/aic.10030.

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Item Permalink: http://hdl.handle.net/11858/00-001M-0000-0013-9E41-F Version Permalink: http://hdl.handle.net/11858/00-001M-0000-002C-8A18-2
Genre: Journal Article

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sundmacher_1757794_Manuscript_revised.pdf (Postprint), 436KB
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This publication is with permission of the rights owner freely accessible due to an Alliance license and a national license (funded by DFG, German Research Foundation) respectively.
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 Creators:
Kenig, E. Y., Author
Pyhälahti, A., Author
Jakobsson, K., Author
Górak, A., Author
Aittamaa, J., Author
Sundmacher, K.1, 2, Author              
Affiliations:
1Process Systems Engineering, Max Planck Institute for Dynamics of Complex Technical Systems, Max Planck Society, ou_1738151              
2Otto-von-Guericke-Universität Magdeburg, External Organizations, ou_1738156              

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 Abstract: A rigorous rate-based modeling approach to reactive distillation equipment is presented in detail. This approach has succeeded from the three-year project "Reactive Distillation" initiated by SUSTECH and supported by the EU in the frame of the BRITE-EURAM program. As a result, a steady-state rate-based simulator DESIGNER has been created and tested with industrially important reactive distillations. First, a thorough description of the model development, including process hydrodynamics and kinetics, is given. The general structure of DESIGNER is highlighted. Furthermore, numerical problems, simulation issues, and validation of the developed simulator are discussed, whereas several industrially important applications are demonstrated. The main advantages of DESIGNER are the direct account of mass and heat transport (rate-based approach), multicomponent mass-transport description via the Maxwell-Stefan equations, consideration of a large spectrum of reactions (homogeneous and heterogeneous; slow, moderate, and fast; equilibrium and kinetically controlled), reaction account in both bulk and film phases, availability of different hydrodynamic models, and a large choice of hydrodynamic and mass-transfer correlations for various types of column internals (trays, random and structured packings, catalytic packings). Particular attention is devoted to the mass-transfer model, including the reaction in the film region, to the catalyst efficiency determination based on the mass transfer inside the catalyst and to the hydrodynamic models for reactive trays.

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Language(s): eng - English
 Dates: 2004
 Publication Status: Published in print
 Pages: -
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 Rev. Method: -
 Identifiers: eDoc: 207627
Other: 39/04
DOI: 10.1002/aic.10030
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Title: AIChE Journal
Source Genre: Journal
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Pages: - Volume / Issue: 50 Sequence Number: - Start / End Page: 322 - 342 Identifier: -