PDF Equations for Propagating Parameter Uncertainty in Reacting Flow CFD
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High-order methods have recently been shown to be an effective tool for high-fidelity flow computations like direct numerical simulations and large eddy simulations due to their strong balance between accuracy and computational cost. In this work, a high-order discontinuous Galerkin spectral element method (DGSEM) is developed to solve the chemically reactive Euler equations encountered in high-speed combustion. To handle the disparate length and time scales associated with these equations, we develop a novel method which combines the spectral accuracy of the SEM with the flexibility of DG approach. Thus, the framework is well suited to capture turbulence in smooth regions of the flow, while maintaining numerical stability in the presence of shocks. The numerical method is implemented within the spectral element solver Nek5000. Validation cases are conducted for both non-reactive and reactive discontinuous flows to demonstrate the solver capability. In particular, canonical one-dimensional and two-dimensional detonation simulations are performed and the high-order numerical results are validated against available literature data.
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Viscid-inviscid equations solution, describing flows with coupled mixing, combustion and lateral pressure gradients
The paper examines the mathematical and physical foundations for the kinetic theory of reactive turbulent flows, discussing the differences and relation between the kinetic and averaged equations, and comparing some solutions of the kinetic equations obtained by the Green's function method with those obtained by the approximate bimodal method. The kinetic method described consists essentially in constructing the probability density functions of the chemical species on the basis of solutions of the Langevin stochastic equation for the influence of eddies on the behavior of fluid elements. When the kinetic equations are solved for the structure of the diffusion flame established in a shear layer by the bimodal method, discontinuities in gradients of the mean concentrations at the two flame edges appear. This is a consequence of the bimodal approximation of all distribution functions by two dissimilar half-Maxwellian functions, which is a very crude approximation. These discontinuities do not appear when the solutions are constructed by the Green's function method described here.
The saturated fluorescence method makes use of the great simplifications which occur when under conditions of intense radiation the excitation process becomes saturated. A description is presented of the saturated fluorescence method, taking into account rate equations and saturation, radiative transfer, the two-level system, a multilevel system, and measurements under saturation conditions. The detectability limits of the method are investigated. Fluorescence trapping is found to place an upper limit on the number density of the fluorescing species that can be measured without signal loss. Turbulence places time and spatial constraints on the measurements, but otherwise poses no difficulties. Saturated laser induced fluorescence spectroscopy appears to be a most promising method for measuring species concentrations in flames.
Numerical computations have been undertaken for a basic two-dimensional axisymmetric flowfield which is similar to that found in conventional gas turbine and ramjet combustors. A swirling flow enters a larger chamber via a sudden or gradual expansion. The calculation method involves a staggered grid system for axial and radial velocities, a line relaxation procedure for efficient solution of the equations, a two-equation turbulence energy-turbulence dissipation rate turbulence model, a stairstep boundary representation of the expansion flow, and realistic accommodation of swirl effects. The results include recirculation zone characterization and predicted mean streamline patterns. Predictions with and without chemical reaction are obtained. An associated isothermal experimental flow study is providing a useful data base. Successful outcomes of the work can be incorporated into the more combustion- and hardware-oriented activities of industrial concerns.
(Previously cited in issue 06, p. 836, Accession no. A82-17790)
The computational problems associated with high-temperature flows undergoing finite-rate ionization reactions is investigated. The conservation equations governing chemical species and vibrational and electron energies are solved simultaneously with those for overall mass, momentum, and energy for a one-dimensional subsonic flow, through a constant-area duct, originating behind a normal shock wave, using an implicit time-marching technique. Boundary conditions are imposed in the form of characteristic wave variables accounting for the effects of chemical reactions on the speed of sound. Converging solutions are obtained for cases in which chemical reactions are weak, but difficulty is encountered in other cases. The cause of the difficulty is investigated and shown to be the sharp pressure disturbances produced by such reactions.
A parabolic combustion code called CHARNAL was run for a variety of measured and estimated inlet boundary conditions. A parametric study was carried out to determine what compromises in accuracy would occur if estimated, rather than experimentally measured, inlet conditions were used and what values of the dissipation length scale would give the best results. The conclusions were that a dissipation length scale of approximately 0.03 gave the best results regardless of the type of inlet conditions used. Both subsonic and supersonic flow were examined and the effect of finite-rate versus equilibrium-chemistry calculations was briefly considered. No significant compromises in accuracy were found when estimated inlet boundary conditions were used.
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.
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The backward Euler scheme was used to solve a large system of inviscid flow and chemical rate equations in three spatial coordinates. The flow equations were integrated simultaneously in time by a conventional ADI factorization technique, then the species equations were solved by either simultaneous or successive techniques. The methods were evaluated in their efficiency and robustness for a hypersonic flow problem involving an aerobrake configuration. It was found that both implicit methods can effectively reduce the stiffness associated with the chemical production term and that the successive solution for the species was as stable as the simultaneous solution. The latter method is more economical because the computation time varies linearly with the number of species.
A numerical study for confined, axisymmetrical, turbulent diffusion flames is presented. Local mean gas properties are predicted by solving the appropriate conservation equations in the finite difference form with the corresponding boundary conditions. The k-epsilon two-equation turbulence model is employed to describe the turbulent nature of the flow. A two-step kinetic model is assumed to govern the reaction mechanism. The finite reaction rate is the smaller of an Arrhenius type of reaction rate and a modified version of eddy-breakup model. Reasonable agreement is observed between calculations and measurements, but to obtain better agreement, more work is needed on improvements of the above mathematical models. However, the present numerical study offers an improvement in the analysis and design of the gas turbine combustors.
Several of the approximations or models involved in the development of a numerical combustor flow code are examined. In the first section, the importance of numerical accuracy is illustrated, and the impact that improved-accuracy schemes have on slowing convergence is demonstrated. Solution algorithms that can speed convergence are discussed and some performance features of these algorithms are illustrated. A sample calculation displaying the importance of boundary conditions on a three-dimensional numerical prediction is presented. The inaccuracy of a current turbulence model in highly turbulent (nonequilibrium) regions is described. Finally, the surprisingly good performance of a six-flux model in describing radiation heat transfer is displayed. In all the areas examined, continued research is still needed, but valuable engineering tools are available today.
A parallelized finite difference code based on the Newton method for systems of nonlinear elliptic boundary value problems in two dimensions is analyzed in terms of computational complexity and parallel efficiency. An approximate cost function depending on 15 dimensionless parameters is derived for algorithms based on stripwise and boxwise decompositions of the domain and a one-to-one assignment of the strip or box subdomains to processors. The sensitivity of the cost functions to the parameters is explored in regions of parameter space corresponding to model small-order systems with inexpensive function evaluations and also a coupled system of nineteen equations with very expensive function evaluations. The algorithm was implemented on the Intel Hypercube, and some experimental results for the model problems with stripwise decompositions are presented and compared with the theory. In the context of computational combustion problems, multiprocessors of either message-passing or shared-memory type may be employed with stripwise decompositions to realize speedup of O(n), where n is mesh resolution in one direction, for reasonable n.
A computationally-viable model describing the interaction between fluid-mechanical turbulence and finite-rate combustion reactions, principally in high-speed flows was developed. Chemical kinetic mechanisms, complete and global, were developed describing the finite rate reaction of fuels of interest to NASA. These fuels included principally hydrogen and silane, although a limited amount of work involved hydrocarbon fuels as well.