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Efficient simulation of an ammonia oxidation reactor using a solution mapping approach

Paper ID Volume ID Publish Year Pages File Format Full-Text
55733 47063 2011 6 PDF Available
Title
Efficient simulation of an ammonia oxidation reactor using a solution mapping approach
Abstract

A highly efficient single channel monolith reactor model for the oxidation of ammonia is implemented. A mechanistic model for ammonia oxidation on platinum is used, and all internal and external mass transfer effects are included. The model efficiency is derived from the use of pre-computed solutions of the mass balance equations. Spline interpolation functions are constructed from pre-computed solutions of the mass balances of one volume element of the reactor model. It is shown that these spline functions reproduce the exact outlet concentrations of the volume element with a relative error of less than 3%. This solution mapping approach allows computation of concentration profiles in the reactor by simple successive calls of the interpolation function without any numerical solution. Outlet concentrations of the complete reactor computed in this way show a relative error of less than 2%. Application of the solution mapping approach speeds up the solution of the concentration profiles by a factor of more than 3200, compared to the numerical solution of the mass balances. In this way one steady state concentration profile in an ammonia oxidation catalyst can be computed in less than 0.003 s, despite the fact that the model uses mechanistic surface kinetics and includes the radial diffusion in the washcoat.

Graphical abstractFigure optionsDownload full-size imageDownload high-quality image (133 K)Download as PowerPoint slideHighlights► Detailed 1D + 1D monolith reactor model considering diffusion in the washcoat. ► Vast speed-up of calculation time with average error less than 2%. ► Solution time is 0.003 s which makes model useful for: model predictive control, model based system optimization or for implementation of catalyst models in 3D CFD simulations.

Keywords
Catalysis; Spline; Mapping; Diffusion; Ammonia oxidation; Mechanistic kinetics
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Publisher
Database: Elsevier - ScienceDirect
Journal: Catalysis Today - Volume 175, Issue 1, 25 October 2011, Pages 141–146
Authors
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Subjects
Physical Sciences and Engineering Chemical Engineering Catalysis
Get Full-Text Now
Don't Miss Today's Special Offer
Price was $35.95
You save - $31
Price after discount Only $4.95
100% Money Back Guarantee
Full-text PDF Download
Online Support
Any Questions? feel free to contact us