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Three different methods to determine the concentration profile for a tubular reactor with axial dispersion

Housam Binous
Organization: KFUPM
Department: Chemical Engineering
URL: http://sites.google.com/site/homepageofdrhousambinous/
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A first order chemical reaction is taking place in a tubular chemical reactor. We assume that the flow is turbulent and that some axial dispersion is occurring. The determination of the concentration profile in the reactor turns out to be a split boundary condition problem that is solved in the present notebook using three different approaches. The shooting method is used following the method of Professor Brian Higgins (Chemical Engineering Department, University of California, Davis, http://www.higgins.ucdavis.edu/chemmath.php) and Professor Fred Ramirez (Computational Methods for Process Simulation, Second Edition, 1997, Butterworth Heinemann, Oxford). The third method is a direct computation of the concentration profile using NDSolve. All three methods give the same results.

*Engineering > Chemical Engineering
*Science > Chemistry

Shooting method, tubular reactor, axial mixing, turbulent flow, composition profile, NDSolve, split boundary conditions, first order reaction
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Shooting Method.nb (59.9 KB) - Mathematica Notebook [for Mathematica 5.2]