Abstract
2-D convection-diffusion, reacting flows in a single channel of catalytic monoliths are investigated. The fluid dynamics are modelled by a steady state, boundary-layer equations, which is a large system of parabolic partial differential equations (PDEs) with nonlinear boundary conditions arising from the coupling between the gas-phase and surface processes. The chemical processes are modelled using detailed chemistry. The PDEs are semi-discretized by a method of lines leading to a large-scale, structured differential algebraic equations (DAEs). The DAEs are solved using a tailored BDF code. We exploit the structure of the Jacobian and freeze the diffusion coefficients during approximation of Jacobian by the finite difference. By applying our approach, the computation times have been reduced by a factor of 4 to 10 and more depending on the particular problem.
Access this chapter
Tax calculation will be finalised at checkout
Purchases are for personal use only
Preview
Unable to display preview. Download preview PDF.
References
Kee, R.J., Miller, J.A.: A computational model for chemically reacting flow in boundary layers, shear layers, and ducts. Technical Report SAND81-8241, Sandia National Laboratories, Albuquerque, NM (1981)
Coltrin, M.E., Kee, R.J., Miller, J.A.: A mathematical model of the coupled fluid mechanics and chemical kinetics in a chemical vapor deposition reactor. Journal of The Electrochemical Society 131(2), 425–434 (1984)
Coltrin, M.E., Kee, R.J., Miller, J.A.: A mathematical model of silicon chemical vapor deposition. Journal of The Electrochemical Society 133(6), 1206–1213 (1986)
Coltrin, M.E., Moffat, H.K., Kee, R.J., Rupley, F.M.: CRESLAF (verison 4.0): A Fortran program for modelling laminar, chemically reacting, boundary-layer flow in the cylindrical or planar channels. Technical Report SAND93–0478, Sandia National Laboratories (April 1993)
Minh, H.D.: Numerical Methods for Simulation and Optimization of Chemically Reacting Flows in Catalytic Monoliths. PhD thesis, Faculty of Mathematics and Computer Science, University of Heidelberg (December 2005)
Warnatz, J.: Influence of transport models and boundary conditions on flame structure. In: Peters, N., Warnatz, J. (eds.) Numerical Methods in Flame Propagation, Fridr. Vieweg and Sohn, Wiesbaden (1982)
Kee, R.J., Warnatz, J., Miller, J.A.: A Fortran computer code package for the evaluation of gas phase viscosities, heat conductivities, and diffusion coefficients. Technical Report SAND83-8209, Sandia National Laboratories (1983)
Warnatz, J., Dibble, R., Maas, U.: Combustion, Physical and Chemcial Fundamentals, Modeling and Simulation, Experiments, Pullutant Formation. Springer, New York (1996)
Deutschmann, O., Tischer, S., Kleditzsch, S., Janardhanan, V.M., Correa, C., Chatterjee, D., Mladenov, N., Minh, H.D.: DETCHEM - User’s manual (2007), www.detchem.com
Schiesser, W.E.: The Numerical Method of Lines, Integration of Partial Differential Equations. Academmic Press, San Diego (1991)
Bauer, I., Bock, H.G., Schlöder, J.P.: DAESOL – a BDF-code for the numerical solution of differential algebraic equations. Technical report, SFB 359, IWR, University of Heidelberg (1999)
Bauer, I., Finocchi, F., Duschl, W., Gail, H., Schlöder, J.: Simulation of chemical reactions and dust destruction in protoplanetary accretion disks. Astronomy & Astrophys 317, 273–289 (1997)
Bischof, C., Carle, A., Hovland, P., Khademi, P., Mauer, A.: ADIFOR 2.0 User’s Guide (1995)
Author information
Authors and Affiliations
Editor information
Rights and permissions
Copyright information
© 2008 Springer-Verlag Berlin Heidelberg
About this paper
Cite this paper
Minh, H.D., Bock, H.G., Tischer, S., Deutschmann, O. (2008). Fast Solution for Large-Scale 2-D Convection-Diffusion, Reacting Flows. In: Gervasi, O., Murgante, B., Laganà, A., Taniar, D., Mun, Y., Gavrilova, M.L. (eds) Computational Science and Its Applications – ICCSA 2008. ICCSA 2008. Lecture Notes in Computer Science, vol 5072. Springer, Berlin, Heidelberg. https://doi.org/10.1007/978-3-540-69839-5_85
Download citation
DOI: https://doi.org/10.1007/978-3-540-69839-5_85
Publisher Name: Springer, Berlin, Heidelberg
Print ISBN: 978-3-540-69838-8
Online ISBN: 978-3-540-69839-5
eBook Packages: Computer ScienceComputer Science (R0)