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Spectral methods for modeling supersonic chemically reacting flow fields

A partial implicit numerical algorithm has been developed for solving the equations describing chemically reacting supersonic flows. The algorithm employs a two-stage Runge-Kutta method for integrating the equations in time and a Chebyshev spectral method for integrating the equations in space. The accuracy and efficiency of the new technique have been assessed by comparison with an existing implicit finite-difference procedure for modeling chemically reacting flows. The comparison showed that the new procedure yielded equivalent accuracy on much coarser grids as compared to the finite-difference procedure with resultant significant gains in computational efficiency.

Drummond, J. P.↗

Parallelization of Lower-Upper Symmetric Gauss-Seidel Method for Chemically Reacting Flow

Development of technologies for exploration of the solar system has revived an interest in computational simulation of chemically reacting flows since planetary probe vehicles exhibit non-equilibrium phenomena during the atmospheric entry of a planet or a moon as well as the reentry to the Earth. Stability in combustion is essential for new propulsion systems. Numerical solution of real-gas flows often increases computational work by an order-of-magnitude compared to perfect gas flow partly because of the increased complexity of equations to solve. Recently, as part of Project Columbia, NASA has integrated a cluster of interconnected SGI Altix systems to provide a ten-fold increase in current supercomputing capacity that includes an SGI Origin system. Both the new and existing machines are based on cache coherent non-uniform memory access architecture. Lower-Upper Symmetric Gauss-Seidel (LU-SGS) relaxation method has been implemented into both perfect and real gas flow codes including Real-Gas Aerodynamic Simulator (RGAS). However, the vectorized RGAS code runs inefficiently on cache-based shared-memory machines such as SGI system. Parallelization of a Gauss-Seidel method is nontrivial due to its sequential nature. The LU-SGS method has been vectorized on an oblique plane in INS3D-LU code that has been one of the base codes for NAS Parallel benchmarks. The oblique plane has been called a hyperplane by computer scientists. It is straightforward to parallelize a Gauss-Seidel method by partitioning the hyperplanes once they are formed. Another way of parallelization is to schedule processors like a pipeline using software. Both hyperplane and pipeline methods have been implemented using openMP directives. The present paper reports the performance of the parallelized RGAS code on SGI Origin and Altix systems.

Yoon, Seokkwan↗

Parabolized Navier-Stokes algorithm for chemically reacting flows

A second-order parabolized Navier-Stokes algorithm based on the MacCormack (1969) explicit scheme is used to study three-dimensional chemically reacting flows with finite-rate chemistry. The method can treat the chemical source term implicitly, and it accounts for the multicomponent diffusion and convection of the chemical species. The method is demonstrated with the nonreacting case of a Mach-3 flow over a double-wedge compression corner and the case of streamwise hydrogen injection at sonic velocity in a Mach-2.44 vitiated air stream.

Kamath, H.↗

Calculating Shocks In Chemically Reacting Flows

Total-variation-diminishing dissipation operator results in crisp shocks. Report discusses method for numerical simulation of shocks in hypersonic, chemically reacting flows. Introduces mathematical model of gas of as many as three species for which species-conservation equations coupled with gas-dynamic equations.

Eberhardt, Scott↗

Accelerating the computation of steady state solutions for non-equilibrium, chemically reacting flow fields

The objective of the study is to develop a technique for accelerating the computation of steady state solutions for nonequilibrium chemically reacting flow fields using the time marching method. To achieve this, a better initial condition is introduced for the time marching scheme to achieve a faster convergence to the steady state solution. This is done by replacing the source terms of the original system of equations, which are responsible for the sitffness, by approximate source terms. It is shown that the saving in computation time increases in direct proportion to the stiffness of the flow model, with a factor of 10 increase in convergence rate observed for the models tested in this study.

Krispin, Jacob↗

A time-accurate implicit method for chemically reacting flows at all Mach numbers

The objective of this work is to develop a unified solution algorithm capable of treating time-accurate chemically reacting flows at all Mach numbers, ranging from molecular diffusion velocities to supersonic speeds. A rescaled pressure term is used in the momentum equation to circumvent the singular behavior of pressure at low Mach numbers. A dual time-stepping integration procedure is established. The system eigenvalues become well behaved and have the same order of magnitude, even in the very low Mach number regime. The computational efficiency for moderate and high speed flow is competitive with the conventional density-based scheme. The capabilities of the algorithm are demonstrated by applying it to selected model problems including nozzle flows and flame dynamics.

Withington, J. P.↗

Flux-difference split parabolized Navier-Stokes algorithm for non-equilibrium chemically reacting flows

A flux-difference split explicit finite-difference algorithm is presented for solving the parabolized form of the equations governing three-dimensional nonequilibrium chemically reacting flows. The algorithm is based on an explicit noniterative, upwind space-marching scheme developed by Korte, but differs in that the unsteady Riemann problem, rather than the steady Riemann problem, is solved. The algorithm allows either a second or an approximately third-order accurate upwind treatment of the convection terms by employing the unsteady approximate Riemann solver of Roe. The source terms of the species transport equations are treated in either an explicit or implicit manner, and the species diffusion terms are modeled with either a Fickian or a multicomponent model. A validation of the algorithm is performed by comparing computational results with the 2-D Mach 14, 15 degree compression-corner data of Holden. The three-dimensional capability of the algorithm is demonstrated by computing Mach 2.7 flow over a swept wedge scramjet fuel injector, and three-dimensional reacting flow capability is demonstrated by a computing a shock-jet interaction concept for mixing and combustion enhancement.

White, J. A.↗

Numerical Simulations of High-Speed Chemically Reacting Flow

The Essentially NonOscillatory (ENO) shock-capturing scheme for the solution of hyperbolic equations is extended to solve a system of coupled conservation equations governing two-dimensional, time-dependent, compressible chemically reacting flow with full chemistry. The thermodynamic properties of the mixture are modeled accurately, and stiff kinetic terms are separated from the fluid motion by a fractional step algorithm. The methodology is used to study the concept of shock-induced mixing and combustion, a process by which the interaction of a shock wave with a jet of low-density hydrogen fuel enhances mixing through streamwise vorticity generation. Test cases with and without chemical reaction are explored here. Our results indicate that, in the temperature range examined, vorticity generation as well as the distribution of atomic species do not change significantly with the introduction of a chemical reaction and subsequent heat release. The actual diffusion of hydrogen is also relatively unaffected by the reaction process. This suggests that the fluid mechanics of this problem may be successfully decoupled from the combustion processes, and that computation of the mixing problem (without combustion chemistry) can elucidate much of the important physical features of the flow.

Ton, V. T.↗

Numerical Simulations of High-Speed Chemically Reacting Flow

The essentially nonoscillatory (ENO) shock-capturing scheme for the solution of hyperbolic equations is extended to solve a system of coupled conservation equations governing two-dimensional, time-dependent, compressible chemically reacting flow with full chemistry. The thermodynamic properties of the mixture are modeled accurately, and stiff kinetic terms are separated from the fluid motion by a fractional step algorithm. The methodology is used to study the concept of shock-induced mixing and combustion, a process by which the interaction of a shock wave with a jet of low-density hydrogen fuel enhances mixing through streamwise vorticity generation. Test cases with and without chemical reaction are explored here. Our results indicate that, in the temperature range examined, vorticity generation as well as the distribution of atomic species do not change significantly with the introduction of a chemical reaction and subsequent heat release. The actual diffusion of hydrogen is also relatively unaffected by the reaction process. This suggests that the fluid mechanics of this problem may be successfully decoupled from the combustion processes, and that computation of the mixing problem (without combustion chemistry) can elucidate much of the important physical features of the flow.

Ton, V. T.↗

Numerical Methods For Chemically Reacting Flows

Issues related to numerical stability, accuracy, and resolution discussed. Technical memorandum presents issues in numerical solution of hyperbolic conservation laws containing "stiff" (relatively large and rapidly changing) source terms. Such equations often used to represent chemically reacting flows. Usually solved by finite-difference numerical methods. Source terms generally necessitate use of small time and/or space steps to obtain sufficient resolution, especially at discontinuities, where incorrect mathematical modeling results in unphysical solutions.

Leveque, R. J.↗

A spectral multi-domain technique applied to high-speed chemically reacting flows

The first applications of a spectral multidomain method for viscous compressible flow is presented. The method imposes a global flux balance condition at the interface so that high-order continuity of the solution is preserved. The global flux balance is imposed in terms of a spectral integral of the discrete equations across adjoining domains. Since the discretized equations interior to each domain solved are uncoupled from each other, and since the interface relation has a block structure, the solution scheme can be adapted to the particular requirements of each subdomain. The spectral multidomain technique presented is well-suited for the multiple scales associated with the chemically reacting and transition flows in hypersonic research. A nonstaggered multidomain discretization is used for the chemically reacting flow calculation, and the first implementation of a staggered multidomain mesh is presented for accurately solving the stability equation for a viscous compressible fluid.

Macaraeg, Michele G.↗

Extension of a semi-implicit shock-capturing algorithm for 3-D fully coupled, chemically reacting flows in generalized coordinates

A semiimplicit high-resolution shock-capturing method for multidimensional systems of hyperbolic conservation laws with stiff source terms has been developed by Yee and Shinn (1987). The goal of this work is to extend this method to solve the three-dimensional fully coupled Navier-Stokes equations for a hypersonic chemically reacting flow in generalized coordinates. In this formulation, the global continuity equation was replaced by all the species continuity equations. The shock-capturing technique is a second-order-accurate, symmetric total-variation-diminishing method which accounts fully and directly for the coupling among the fluid and all the species. To verify the current approach, it was implemented into an existing computer code which contained the MacCormack method. Test results for a five-species reacting flow are shown to be oscillation-free around the shock, and the time spent per iteration only doubles when compared to the result using classical way of supplying numerical dissipation. The extra computation is more than justified by the elimination of spurious oscillation and nonlinear instability associated with the classical shock-capturing schemes in computing hypersonic reacting flows.

Shinn, J. L.↗

A spectral multi-domain technique for analysis of chemically reacting flows

A technique is presented which models the chemical kinetics and flow kinematics of a nonionized air mixture passing through a fully resolved shock wave, thus alleviating the need for artificial viscosity. The quasi-one-dimensional Navier-Stokes equations and the species conversation equation are the governing equations. The validity of the multidomain Navier-Stokes algorithm is demonstrated via comparison with experiment.

Macaraeg, Michele G.↗

A PDF closure model for compressible turbulent chemically reacting flows

The objective of the proposed research project was the analysis of single point closures based on probability density function (pdf) and characteristic functions and the development of a prediction method for the joint velocity-scalar pdf in turbulent reacting flows. Turbulent flows of boundary layer type and stagnation point flows with and without chemical reactions were be calculated as principal applications. Pdf methods for compressible reacting flows were developed and tested in comparison with available experimental data. The research work carried in this project was concentrated on the closure of pdf equations for incompressible and compressible turbulent flows with and without chemical reactions.

Kollmann, W.↗

Radiative interactions in multi-dimensional chemically reacting flows using Monte Carlo simulations

The Monte Carlo method (MCM) is applied to analyze radiative heat transfer in nongray gases. The nongray model employed is based on the statistical narrow band model with an exponential-tailed inverse intensity distribution. The amount and transfer of the emitted radiative energy in a finite volume element within a medium are considered in an exact manner. The spectral correlation between transmittances of two different segments of the same path in a medium makes the statistical relationship different from the conventional relationship, which only provides the non-correlated results for nongray methods is discussed. Validation of the Monte Carlo formulations is conducted by comparing results of this method of other solutions. In order to further establish the validity of the MCM, a relatively simple problem of radiative interactions in laminar parallel plate flows is considered. One-dimensional correlated Monte Carlo formulations are applied to investigate radiative heat transfer. The nongray Monte Carlo solutions are also obtained for the same problem and they also essentially match the available analytical solutions. the exact correlated and non-correlated Monte Carlo formulations are very complicated for multi-dimensional systems. However, by introducing the assumption of an infinitesimal volume element, the approximate correlated and non-correlated formulations are obtained which are much simpler than the exact formulations. Consideration of different problems and comparison of different solutions reveal that the approximate and exact correlated solutions agree very well, and so do the approximate and exact non-correlated solutions. However, the two non-correlated solutions have no physical meaning because they significantly differ from the correlated solutions. An accurate prediction of radiative heat transfer in any nongray and multi-dimensional system is possible by using the approximate correlated formulations. Radiative interactions are investigated in chemically reacting compressible flows of premixed hydrogen and air in an expanding nozzle. The governing equations are based on the fully elliptic Navier-Stokes equations. Chemical reaction mechanisms were described by a finite rate chemistry model. The correlated Monte Carlo method developed earlier was employed to simulate multi-dimensional radiative heat transfer. Results obtained demonstrate that radiative effects on the flowfield are minimal but radiative effects on the wall heat transfer are significant. Extensive parametric studies are conducted to investigate the effects of equivalence ratio, wall temperature, inlet flow temperature, and nozzle size on the radiative and conductive wall fluxes.

Liu, Jiwen↗

The use of direct numerical simulation in the study of turbulent, chemically-reacting flows

Full turbulence simulations are used here to study the effects of chemical heat release on the large-scale structures in turbulent mixing layers. In agreement with laboratory results, it is found that the heat release lowers the rate at which the mixing layer grows and reduces the rate at which chemical products are formed. The baroclinic torque and thermal expansion in the mixing layer produce changes in the flame vortex structure that act to produce more diffuse vortices than in the constant density case, resulting in lower rotation rates of the large-scale structures. Previously unexplained anomalies observed in the mean velocity profiles of reacting jets and mixing layer are shown to result from vorticity generation by baroclinic torques. Calculations of the energy in the various wavenumbers shows that the heat release has a stabilizing effect on the growth rate of individual modes. This methodology can be applied for Reynolds numbers less than several hundred and for Damkoehler numbers less than about ten.

Riley, J. J.↗

The efficient calculation of chemically reacting flow

A semi-implicit finite volume formulation is used to study flows with chemical reactions. In this formulation the source terms resulting from the chemical reactions are treated implicitly and the resulting system of partial differential equations is solved using two time-stepping schemes. The first is based on the Runge-Kutta method while the second is based on an Adams predictor-corrector method. Results show that improvements in computational efficiency depend to a large extent on the manner in which the source term is treated. Further, analysis and computation indicate that the Runge-Kutta method is more efficient than the Adams methods. Finally, an adaptive time stepping scheme is developed to study problems involving shock ignition. Calculations for a hydrogen-air system agree well with other methods.

Eklund, D. R.↗

Numerical study of chemically reacting flows using an LU scheme

A new computational fluid dynamic code has been developed for the study of mixing and chemical reactions in the flow fields of ramjets and scramjets. The code employs an implicit finite volume, lower-upper symmetric successive overrelaxation scheme for solving the complete two-dimensional Navier-Stokes equations and species transport equations in a fully-coupled and very efficient manner. The combustion processes are modeled by an 8-species, 14-step finite rate chemistry model whereas turbulence is simulated by a Baldwin-Lomax algebraic model. The validity of the code is demonstrated by comparing the numerical calculations with both experimental data and previous calculations of a cold flow helium injection into a straight channel and premixed hydrogen-air reacting flows in a ramped duct. The code is then used to calculate the mixing and chemical reactions of a hydrogen jet transversely injected into a supersonic airstream. Results are presented describing the flow field, the recirculation regions in front and behind the injector, and the chemical reactions.

Shuen, Jian Shun↗