A computational facility for reacting flow science

We discuss recent developments in the application of high-order adaptive mesh refinement constructions in reacting flow computations. We present results pertaining to the time integration of coupled diffusive-convective terms in this context using a stabilized explicit Runge-Kutta-Chebyshev scheme. We also discuss chemical model reduction strategies, with a focus on the utilization of computational singular perturbation theory for generation of simplified chemical models. Starting from a detailed chemical mechanism for methane-air combustion, we examine a posteriori errors in flame species computed with a range of simplified mechanisms corresponding to a varying degree of model reduction.

[1]  J. Griffiths.  Reduced kinetic models and their application to practical combustion systems , 1995 .

[2]  Habib N. Najm,et al.  Using High-Order Methods on Adaptively Refined Block-Structured Meshes: Derivatives, Interpolations, and Filters , 2007, SIAM J. Sci. Comput..

[3]  P. Colella,et al.  Local adaptive mesh refinement for shock hydrodynamics , 1989 .

[4]  Habib N. Najm,et al.  A component-based toolkit for simulating reacting flows with high order spatial discretisations on structured adaptively refined meshes , 2005 .

[5]  Richard A. Yetter,et al.  A Comprehensive Reaction Mechanism For Carbon Monoxide/Hydrogen/Oxygen Kinetics , 1991 .

[6]  Willem Hundsdorfer,et al.  RKC time-stepping for advection-diffusion-reaction problems , 2004 .

[7]  Habib N. Najm,et al.  Modeling Low Mach Number Reacting Flow with Detailed Chemistry and Transport , 2005, J. Sci. Comput..

[8]  M. Mavrovouniotis,et al.  Simplification of Mathematical Models of Chemical Reaction Systems. , 1998, Chemical reviews.

[9]  L. Shampine,et al.  RKC: an explicit solver for parabolic PDEs , 1998 .

[10]  Habib N. Najm,et al.  Triple flame structure and dynamics at the stabilization point of an unsteady lifted jet diffusion flame , 2000 .

[11]  M S Day,et al.  Numerical simulation of laminar reacting flows with complex chemistry , 2000 .

[12]  S. H. Lam,et al.  Understanding complex chemical kinetics with computational singular perturbation , 1989 .

[13]  B. Bennett,et al.  Local rectangular refinement with application to axisymmetric laminar flames , 1998 .

[14]  Habib N. Najm,et al.  An automatic procedure for the simplification of chemical kinetic mechanisms based on CSP , 2006 .