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At least 163 records · Page 9

Systematic development of reduced reaction mechanisms for dynamic modeling

A method for systematically developing a reduced chemical reaction mechanism for dynamic modeling of chemically reactive flows is presented. The method is based on the postulate that if a reduced reaction mechanism faithfully describes the time evolution of both thermal and chain reaction processes characteristic of a more complete mechanism, then the reduced mechanism will describe the chemical processes in a chemically reacting flow with approximately the same degree of accuracy. Here this postulate is tested by producing a series of mechanisms of reduced accuracy, which are derived from a full detailed mechanism for methane-oxygen combustion. These mechanisms were then tested in a series of reactive flow calculations in which a large-amplitude sinusoidal perturbation is applied to a system that is initially quiescent and whose temperature is high enough to start ignition processes. Comparison of the results for systems with and without convective flow show that this approach produces reduced mechanisms that are useful for calculations of explosions and detonations. Extensions and applicability to flames are discussed.

Frenklach, M.↗

Aeropropulsion 1987. Session 3: Internal Fluid Mechanics Research

Internal fluid mechanics research at Lewis is directed toward an improved understanding of the important flow physics affecting aerospace propulsion systems, and applying this improved understanding to formulate accurate predictive codes. To this end, research is conducted involving detailed experimentation and analysis. The presentations in this session summarize ongoing work and indicated future emphasis in three major research thrusts: namely, inlets, ducts, and nozzles; turbomachinery; and chemical reacting flows.

Source record↗

Analysis of Linear Aerospike Plume Induced X-33 Base Heating Environment

Computational analysis is conducted to study the effect of an linear aerospike engine plume on the X-33 base-heating environment during ascent flight. To properly account for the freestream-body interaction and to allow for potential plume-induced flow-separation, the thermo-flowfield of the entire vehicle at several trajectory points is computed. A sequential grid-refinement technique is used in conjunction with solution-adaptive, patched, and embedded grid methods to limit the model to a manageable size. The computational methodology is based on a three-dimensional, finite-difference, viscous flow, chemically reacting, pressure-based computational fluid dynamics formulation, and a three-dimensional, finite-volume, spectral-line based weighted-sum-of-gray-gases absorption, computational radiation heat transfer formulation. The computed forebody and afterbody surface pressure coefficients and base pressure characteristic curves are compared with those of a cold-flow test. The predicted convective and radiative base-heat fluxes, the effect of base-bleed, and the potential of plume-induced flow separation are presented.

Wang, Ten-See↗

Model gases for the detailed study of microscopic chemical nonequilibrium in diatomic gas flows

It is shown that chlorine (Cl2) and iodine (I2) are suitable model diatomic gases to use in theoretical studies of chemical nonequilibrium that account for rotational and vibrational as well as electronic processes in a gas. Because of the low temperature at which significant dissociation can be achieved in iodine, it is a particularly attractive candidate for the study of relatively low temperature chemically reacting flows, permitting detailed knowledge of the nonequilibrium populations of translational, rotational, vibrational and electronic energy levels. A preliminary investigation indicates that a useful iodine flow facility can be constructed and that diagnostic techniques are available to validate in detail prediction techniques for nonequilibrium flows.

Kunc, Joseph A.↗

Internal fluid mechanics research on supercomputers for aerospace propulsion systems

The Internal Fluid Mechanics Division of the NASA Lewis Research Center is combining the key elements of computational fluid dynamics, aerothermodynamic experiments, and advanced computational technology to bring internal computational fluid mechanics (ICFM) to a state of practical application for aerospace propulsion systems. The strategies used to achieve this goal are to: (1) pursue an understanding of flow physics, surface heat transfer, and combustion via analysis and fundamental experiments, (2) incorporate improved understanding of these phenomena into verified 3-D CFD codes, and (3) utilize state-of-the-art computational technology to enhance experimental and CFD research. Presented is an overview of the ICFM program in high-speed propulsion, including work in inlets, turbomachinery, and chemical reacting flows. Ongoing efforts to integrate new computer technologies, such as parallel computing and artificial intelligence, into high-speed aeropropulsion research are described.

Miller, Brent A.↗

The study of PDF turbulence models in combustion

The accurate prediction of turbulent combustion is still beyond reach for today's computation techniques. It is the consensus of the combustion profession that the predictions of chemically reacting flow were poor if conventional turbulence models were used. The main difficulty lies in the fact that the reaction rate is highly nonlinear, and the use of averaged temperature, pressure, and density produces excessively large errors. The probability density function (PDF) method is the only alternative at the present time that uses local instant values of the temperature, density, etc. in predicting chemical reaction rate, and thus it is the only viable approach for turbulent combustion calculations.

Hsu, Andrew T.↗

High-Frequency Excitation of a Plane Wake

In the early 1990's, Glezer and his co-workers at Georgia Tech made a startling discovery. They found that forcing at frequencies too high to directly affect the production scales led to a dramatic alteration in the development of a turbulent shear layer. An experimental study of this phenomenon is presented in Wiltse and Glezer. They used piezoelectric actuators located near the jet exit plane to force the shear layers of a square low-speed jet. The actuators were driven at a high frequency in the Kolmogorov inertial subrange, much higher than the frequencies associated with the large-scale motion (where the turbulent energy is produced and located) but much lower than those associated with the Kolmogorov scale (where the turbulent energy is dissipated). Measurements of the shear-layer turbulence showed that direct excitation of small-scale motion by high-frequency forcing led to an increase in the turbulent dissipation of more than an order of magnitude in the initial region of the shear layer! The turbulent dissipation gradually decreased with downstream distance but remained above the corresponding level for the unforced flow at all locations examined. The high-frequency forcing increased the turbulent kinetic energy in the initial region near the actuators, but the kinetic energy decreased quite rapidly with downstream distance, dropping to levels that were a small fraction of the level for the unforced case. Perhaps most importantly from the present standpoint, the high-frequency forcing significantly decreased the energy in the large-scale motion, increasingly so with downstream distance. Wiltse and Glezer interpreted this behavior as an enhanced transfer of energy from the large scales to the small scales. The initial work by Wiltse and Glezer has expanded into other applications. To explore the potential of high-frequency forcing for active acoustic suppression, in 1998 the first author proposed a set of experiments involving an edge tone shear layer and an open cavity flow. This work was funded by the US Air Force Research Laboratory, and the experiments were developed and executed at Boeing by Raman and Kibens. These experiments involved high-frequency forcing applied to low-speed flows using wedge piezo actuators and powered resonance tubes. The system is simple, open loop, compact, potentially requires little power, and is easily integrated. Dramatic results, such as reductions of 20 dB in spectral peaks and 5-8 dB in overall levels across the entire acoustic spectrum, were obtained in some cases. Sample results are presented. Following this success in low-speed flows, an international cooperative program continuing this work involved transonic experiments in a mid-size facility in the United Kingdom. Similar reductions in noise level were obtained in these transonic experiments. Discussion of this work is given in Raman et at. and Stanek, Raman, Kibens, and Ross. Other experiments at Georgia Tech have shown significant potential of high-frequency forcing in controlling reaction rates in chemically reacting flows.

Cain, Alan B.↗

MFC 5.0: An exascale many-physics flow solver

Many problems of interest in engineering, medicine, and the fundamental sciences rely on high-fidelity flow simulation, making performant computational fluid dynamics solvers a mainstay of the open-source software community. Previous work MFC 3.0 was made a published, documented, and open-source solver via Bryngelson et al. Comp. Phys. Comm. (2021) with numerous physical features, numerical methods, and scalable infrastructure. MFC 5.0 is a significant update to MFC 3.0, featuring a broad set of well-established and novel physical models and numerical methods, as well as the introduction of GPU and APU (or superchip) acceleration. Here, we exhibit state-of-the-art performance and ideal scaling on the first two exascale supercomputers, OLCF Frontier and LLNL El Capitan. Combined with MFC’s single-accelerator performance, MFC achieves exascale computation in practice, and achieved the largest-to-date public CFD simulation at 200 trillion grid points as a 2025 ACM Gordon Bell Prize finalist. New physical features include the immersed boundary method, N-fluid phase change, Euler–Euler and Euler–Lagrange sub-grid bubble models, fluid-structure interaction, hypo- and hyper-elastic materials, chemically reacting flow, two-material surface tension, magnetohydrodynamics (MHD), and more. Numerical techniques now represent the current state-of-the-art, including general relaxation characteristic boundary conditions, WENO variants, Strang splitting for stiff sub-grid flow features, and low Mach number treatments. Weak scaling to tens of thousands of GPUs on OLCF Summit and Frontier and LLNL El Capitan achieves efficiencies within 5% of ideal to over 90% of their respective system sizes. Strong scaling results for a 16-times increase in device count show parallel efficiencies over 90% on OLCF Frontier. MFC’s software stack has undergone further improvements, including continuous integration, which ensures code resilience and correctness through over 300 regression tests; metaprogramming, which reduces code length while maintaining performance portability; and code generation for computing chemical reactions

Computational fluid dynamics↗

Numerical study of hydrogen-air supersonic combustion by using elliptic and parabolized equations

The two-dimensional Navier-Stokes and species continuity equations are used to investigate supersonic chemically reacting flow problems which are related to scramjet-engine configurations. A global two-step finite-rate chemistry model is employed to represent the hydrogen-air combustion in the flow. An algebraic turbulent model is adopted for turbulent flow calculations. The explicit unsplit MacCormack finite-difference algorithm is used to develop a computer program suitable for a vector processing computer. The computer program developed is then used to integrate the system of the governing equations in time until convergence is attained. The chemistry source terms in the species continuity equations are evaluated implicitly to alleviate stiffness associated with fast chemical reactions. The problems solved by the elliptic code are re-investigated by using a set of two-dimensional parabolized Navier-Stokes and species equations. A linearized fully-coupled fully-implicit finite difference algorithm is used to develop a second computer code which solves the governing equations by marching in spce rather than time, resulting in a considerable saving in computer resources. Results obtained by using the parabolized formulation are compared with the results obtained by using the fully-elliptic equations. The comparisons indicate fairly good agreement of the results of the two formulations.

Chitsomboon, T.↗

On the computation of shock shapes in nonequilibrium hypersonic flows

Several models using different descriptions of high temperature air are used to compute the bow shock shapes on experimental model configurations. The test conditions result in nonequilibrium chemical reaction and thermal excitation of the gas which has a first-order effect on the shock shapes. The computed results are compared to experiment and demonstrate that the model using seven chemical species and six temperatures predicts the experimental shock shapes very well. The other gas models, including perfect gas, equilibrium gas and one-temperature chemical nonequilibrium models are less accurate. The results illustrate the necessity of including both thermal and chemical nonequilibrium in the description of the gas. The use of these experimental data makes it possible to verify aspects of current and future chemically reacting flow algorithms.

Candler, Graham↗

Investigation of the Ignition and Burning of Materials in Space Cabin Atmospheres. Part 2: Ignition of a Combustible Mixture by a Hot Body with the Effects of Gravity

The ignition of a combustible gas mixture by a hot cylinder under the effect of a gravity field for steady state conditions is examined. For this purpose a horizontal cylinder is considered with gravity as a parameter together with a finite chemical reacting flow generated by free convection with the additional effect of diffusion. Both mass transfer and zero mass transfer cases are considered. By defining an ignition criterion the surface temperature and species are obtained from the analysis as a function of the gravity field. It is supposed that at the point of ignition the heat evolved in the gas is sufficiently high to attain a sustained combustion without any energy from the hot cylinder.

Lew, H. G.↗

JANNAF boundary layer integral matrix procedure

Accurate predictions of the thrust loss due to boundary layer effects and of the wall heat flux are very important to the design and performance evaluation of rocket nozzles. A method used in analytical procedures for liquid fuel rocket engine performance prediction and evaluation is presented. A computer program is examined that is a fast and accurate procedure for solving the set of boundary layer equation (momentum, energy, and species) for laminar or turbulent, chemically reacting flows with a wide variety of boundary conditions. Results of comparison of the various turbulent models are presented. A summary of the modifications and additions to the program is examined.

Evans, R. M.↗

Implicit/explicit analysis of interactive phenomena in: supersonic, chemically-reacting, mixing and boundary layer problems

An efficient implicit/explicit procedure for solving the parabolized Navier-Stokes (PNS) equations to analyze supersonic, viscous, chemically-reacting flows is presented. The approach combines a fully-implicit algorithm for solving the parabolic mixing/boundary layer equations with an explicit algorithm for determining the hyperbolic pressure field. The unified model, SPLITP, contains provisions for treating bounding/embedded subsonic regions using a pressure-splitting procedure which suppresses elliptic (upstream influence) effects without recourse to sublayer approximations. Several two-equation turbulence models with compressibility and curvature-correction terms are incorporated into SPLITP. Applications to a variety of flow problems are presented which include: ducted supersonic mixing and combustion flowfields, free jets and plumes, and, curved boundary layers and wall jets.

Dash, S. M.↗

Numerical study of supersonic combustion using a finite rate chemistry model

The governing equations of two-dimensional chemically reacting flows are presented together with a global two-step chemistry model for H2-air combustion. The explicit unsplit MacCormack finite difference algorithm is used to advance the discrete system of the governing equations in time until convergence is attained. The source terms in the species equations are evaluated implicitly to alleviate stiffness associated with fast reactions. With implicit source terms, the species equations give rise to a block-diagonal system which can be solved very efficiently on vector-processing computers. A supersonic reacting flow in an inlet-combustor configuration is calculated for the case where H2 is injected into the flow from the side walls and the strut. Results of the calculation are compared against the results obtained by using a complete reaction model.

Chitsomboon, T.↗

Numerical study of finite-rate supersonic combustion using parabolized equations

A set of partial differential equations, describing the two-dimensional supersonic chemically-reacting flow of the hydrogen-air system, is formulated such that the equations are parabolic in the streamwise direction. A fully-implicit fully-coupled finite-difference algorithm is used to develop a computer code which solves the governing equations by marching in the streamwise direction. The combustion process is modeled by a two-step finite-rate chemistry whereas turbulence is simulated by an algebraic turbulence model. Results of two calculations of internal supersonic reacting flow show fairly good agreement with the results obtained by the more costly full Navier-Stokes procedure.

Chitsomboon, T.↗

Analysis of rotary engine combustion processes based on unsteady, three-dimensional computations

A new computer code was developed for predicting the turbulent, and chemically reacting flows with sprays occurring inside of a stratified charge rotary engine. The solution procedure is based on an Eulerian Lagrangian approach where the unsteady, 3-D Navier-Stokes equations for a perfect gas mixture with variable properties are solved in generalized, Eulerian coordinates on a moving grid by making use of an implicit finite volume, Steger-Warming flux vector splitting scheme, and the liquid phase equations are solved in Lagrangian coordinates. Both the details of the numerical algorithm and the finite difference predictions of the combustor flow field during the opening of exhaust and/or intake, and also during fuel vaporization and combustion, are presented.

Raju, M. S.↗

Analysis of rotary engine combustion processes based on unsteady, three-dimensional computations

A new computer code was developed for predicting the turbulent and chemically reacting flows with sprays occurring inside of a stratified charge rotary engine. The solution procedure is based on an Eulerian Lagrangian approach where the unsteady, three-dimensional Navier-Stokes equations for a perfect gas mixture with variable properties are solved in generalized, Eulerian coordinates on a moving grid by making use of an implicit finite volume, Steger-Warming flux vector splitting scheme, and the liquid phase equations are solved in Lagrangian coordinates. Both the details of the numerical algorithm and the finite difference predictions of the combustor flow field during the opening of exhaust and/or intake, and also during fuel vaporization and combustion, are presented.

Raju, M. S.↗

Fundamentals of chemistry modeling applicable to a vectorized particle simulation

This paper describes the fundamentals of extending the vectorized particle simulation method derived by Baganoff and McDonald (1990), McDonald and Baganoff (1988), and McDonald (1989) for modeling chemically reacting flows. Details of reaction mechanics per reaction are presented, with particular attention given to the quantum nature of the vibrational mode. The models of reactive flows developed here were verified through a simulation of a superheated diatomic gas relaxing thermochemically to equilibrium in a reservoir.

Haas, Brian L.↗