Computation of Steady and Unsteady Laminar Flames: Theory

In this paper we describe the numerical analysis underlying our efforts to develop an accurate and reliable code for simulating flame propagation using complex physical and chemical models. We discuss our spatial and temporal discretization schemes, which in our current implementations range in order from two to six. In space we use staggered meshes to define discrete divergence and gradient operators, allowing us to approximate complex diffusion operators while maintaining ellipticity. Our temporal discretization is based on the use of preconditioning to produce a highly efficient linearly implicit method with good stability properties. High order for time accurate simulations is obtained through the use of extrapolation or deferred correction procedures. We also discuss our techniques for computing stationary flames. The primary issue here is the automatic generation of initial approximations for the application of Newton's method. We use a novel time-stepping procedure, which allows the dynamic updating of the flame speed and forces the flame front towards a specified location. Numerical experiments are presented, primarily for the stationary flame problem. These illustrate the reliability of our techniques, and the dependence of the results on various code parameters.

[1]  M. Athans,et al.  PART I: ANALYSIS' , 1980 .

[2]  P. Embid,et al.  Well-posedness of the nonlinear equations for zero mach number combustion , 1987 .

[3]  Peter Deuflhard,et al.  Recent progress in extrapolation methods for ordinary differential equations , 1985 .

[4]  Jürgen Warnatz,et al.  Numerical Methods in Laminar Flame Propagation , 1982 .

[5]  Bernard J. Matkowsky,et al.  An adaptive pseudo-spectral method for reaction diffusion problems , 1989 .

[6]  L. Greengard,et al.  Spectral Deferred Correction Methods for Ordinary Differential Equations , 2000 .

[7]  James A. Sethian,et al.  THE DERIVATION AND NUMERICAL SOLUTION OF THE EQUATIONS FOR ZERO MACH NUMBER COMBUSTION , 1985 .

[8]  Krishnan Radhakrishnan,et al.  LSENS: A General Chemical Kinetics and Sensitivity Analysis Code for homogeneous gas-phase reactions. Part 1: Theory and numerical solution procedures , 1994 .

[9]  J. Boris,et al.  A One-Dimensional Time-Dependent Model for Flame Initiation, Propagation and Quenching , 1982 .

[10]  Jean-Pierre Lohéac An artificial boundary condition for an advection–diffusion equation , 1991 .

[11]  Wolf-Jürgen Beyn,et al.  The Numerical Computation of Connecting Orbits in Dynamical Systems , 1990 .

[12]  Robert J. Kee,et al.  PREMIX :A F ORTRAN Program for Modeling Steady Laminar One-Dimensional Premixed Flames , 1998 .

[13]  James C. Keck,et al.  Laminar burning velocities in stoichiometric hydrogen and hydrogenhydrocarbon gas mixtures , 1984 .

[14]  M. Sermange Contribution to the numerical analysis of laminar stationary flames , 1985 .

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

[16]  Eli Turkel,et al.  Mappings and accuracy for Chebyshev pseudo-spectral approximations , 1992 .