Conservative multi-implicit spectral deferred correction methods for reacting gas dynamics

In most models of reacting gas dynamics, the characteristic time scales of chemical reactions are much shorter than the hydrodynamic and diffusive time scales, rendering the reaction part of the model equations stiff. Moreover, non-linear forcings may introduce into the solutions sharp gradients or shocks, the robust behavior and correct propagation of which require the use of specialized spatial discretization procedures. This study presents high-order conservative methods for the temporal integration of model equations of reacting flows. By means of a method of lines discretization on the flux difference form of the equations, these methods compute approximations to the cell-averaged or finite-volume solution. The temporal discretization is based on a multi-implicit generalization of spectral deferred correction methods. The advection term is integrated explicitly, and the diffusion and reaction terms are treated implicitly but independently, with the splitting errors reduced via the spectral deferred correction procedure. To reduce computational cost, different time steps may be used to integrate processes with widely-differing time scales. Numerical results show that the conservative nature of the methods allows a robust representation of discontinuities and sharp gradients; the results also demonstrate the expected convergence rates for the methods of orders three, four, and five for smooth problems.

[1]  R. Klein Semi-implicit extension of a Godunov-type scheme based on low Mach number asymptotics , 1995 .

[2]  Randall J. LeVeque,et al.  A Modified Fractional Step Method for the Accurate Approximation of Detonation Waves , 2000, SIAM J. Sci. Comput..

[3]  C F Curtiss,et al.  Integration of Stiff Equations. , 1952, Proceedings of the National Academy of Sciences of the United States of America.

[4]  Randall J. LeVeque,et al.  One-Dimensional Front Tracking Based on High Resolution Wave Propagation Methods , 1995, SIAM J. Sci. Comput..

[5]  E. Hairer,et al.  Solving Ordinary Differential Equations II: Stiff and Differential-Algebraic Problems , 2010 .

[6]  J. Verwer,et al.  Analysis of operator splitting for advection-diffusion-reaction problems from air pollution modelling , 1999 .

[7]  Randall J. LeVeque,et al.  Two-Dimensional Front Tracking Based on High Resolution Wave Propagation Methods , 1996 .

[8]  David I. Gottlieb,et al.  The Theoretical Accuracy of Runge-Kutta Time Discretizations for the Initial Boundary Value Problem: A Study of the Boundary Error , 1995, SIAM J. Sci. Comput..

[9]  M. Minion Semi-implicit spectral deferred correction methods for ordinary differential equations , 2003 .

[10]  P. Woodward,et al.  The Piecewise Parabolic Method (PPM) for Gas Dynamical Simulations , 1984 .

[11]  P. Colella Multidimensional upwind methods for hyperbolic conservation laws , 1990 .

[12]  I. Bohachevsky,et al.  Finite difference method for numerical computation of discontinuous solutions of the equations of fluid dynamics , 1959 .

[13]  Weizhu Bao,et al.  The Random Projection Method for Stiff Multispecies Detonation Capturing , 2002 .

[14]  Richard Liska,et al.  Comparison of Several Difference Schemes on 1D and 2D Test Problems for the Euler Equations , 2003, SIAM J. Sci. Comput..

[15]  Rolf Rannacher,et al.  An Adaptive Finite Element Method for Unsteady Convection-Dominated Flows with Stiff Source Terms , 1999, SIAM J. Sci. Comput..

[16]  E. Hairer,et al.  Solving Ordinary Differential Equations I , 1987 .

[17]  R. D. Richtmyer,et al.  Difference methods for initial-value problems , 1959 .

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

[19]  J. Crank Difference Methods for Initial-Value Problems 2nd edn , 1968 .

[20]  Robert J. Kee,et al.  CHEMKIN-III: A FORTRAN chemical kinetics package for the analysis of gas-phase chemical and plasma kinetics , 1996 .

[21]  A. Bourlioux,et al.  High-order multi-implicit spectral deferred correction methods for problems of reactive flow , 2003 .

[22]  M. Carpenter,et al.  Additive Runge-Kutta Schemes for Convection-Diffusion-Reaction Equations , 2003 .

[23]  P. Colella,et al.  Theoretical and numerical structure for reacting shock waves , 1986 .

[24]  N. N. Yanenko Application of the Method of Fractional Steps to Boundary Value Problems for Laplace’s and Poisson’s Equations , 1971 .

[25]  Sukumar Chakravarthy,et al.  High Resolution Schemes and the Entropy Condition , 1984 .

[26]  S. Osher,et al.  Efficient implementation of essentially non-oscillatory shock-capturing schemes,II , 1989 .

[27]  G. Strang On the Construction and Comparison of Difference Schemes , 1968 .

[28]  David I. Gottlieb,et al.  On the Removal of Boundary Errors Caused by Runge-Kutta Integration of Nonlinear Partial Differential Equations , 1994, SIAM J. Sci. Comput..

[29]  Uri M. Ascher,et al.  Computer methods for ordinary differential equations and differential-algebraic equations , 1998 .