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International Journal for Multiscale Computational Engineering
IF: 1.016 5-Year IF: 1.194 SJR: 0.452 SNIP: 0.68 CiteScore™: 1.18

ISSN Print: 1543-1649
ISSN Online: 1940-4352

International Journal for Multiscale Computational Engineering

DOI: 10.1615/IntJMultCompEng.v5.i1.10
pages 1-10

Numerical Methods for Reacting Gas Flow Simulations

S. van Veldhuizen
Department of Applied Mathematics and J.M. Burgers Center for Fluid Mechanics, Delft University of Technology, Mekelweg 4, 2628 CD Delft, The Netherlands
Cornelis Vuik
Delft Institute of Applied Mathematics, Delft University of Technology, Van Mourik Broekmanweg 6, 2628 XE Delft, the Netherlands
Chris R. Kleijn
Section of Transport Phenomena, Department of Chemical Engineering, Faculty of Applied Sciences Delft University of Technology and J. M. Burgerscentre for Fluid Dynamics Julianalaan, 2628 BL Delft

ABSTRACT

In this study, various numerical schemes for transient simulations of 2D laminar reacting gas flows, as typically found in chemical vapor deposition reactors, are proposed and compared. These systems are generally modeled by means of many stiffly coupled elementary gas phase reactions between a large number of reactants and intermediate species. The purpose of this study is to develop robust and efficient solvers for the stiff reaction system, where as a first approach the velocity and temperature fields are assumed to be given. In this paper, we mainly focus on the performance of different time integration methods and their properties to success-fully solve the transient problem. Besides stability, which is important due to the stiffness of the problem, the preservation of nonnegativity of the species is crucial. It appears that this latter condition on time integration methods is much more restrictive toward the time step than stability.


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