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NASA NTRS1986

Analysis of coaxial spray combustion flames and related numerical issues

An approach to the simulation of strongly coupled multiphase flows in combustion hardware is sketched and its unique requirements highlighted. An example of a successful application to a coaxial injector flame is presented. Furthermore, several numerical issues that tend to interact with the physics of the problem are discussed with special regard to their potential impact on the choices of numerical parameters by the analyst. These include the issues of stability, numerical diffusivity, stiffness, and boundary conditions. The theme of this paper focuses on the intriguing relationships among the grid, the solution algorithm, and the actual physical mechanisms themselves.

Liang, P. Y.↗

NASA NTRS1990

Transverse liquid fuel jet breakup, burning, and ignition

An analytical study of the breakup, burning, and ignition of liquid fuels injected transversely into a hot air stream is conducted. The non-reacting liquid jet breakup location is determined by the local sonic point criterion. Two models, one employing analysis of an elliptical jet cross-section and the other employing a two-dimensional blunt body to represent the transverse jet, were used for sonic point calculations. An auxiliary criterion based on surface tension stability is used as a separate means of determining the breakup location. For the reacting liquid jet problem, a diffusion flame supported by a one-step chemical reaction within the gaseous boundary layer is solved along the ellipse surface in subsonic cross flow. Typical flame structures and concentration profiles were calculated for various locations along the jet cross-section as a function of upstream Mach numbers. The integration reaction rate along the jet cross-section is used to predict ignition position, which is found to be situated near the stagnation point. While a multi-step reaction is needed to represent the ignition process more accurately, the present calculation does yield reasonable predictions concerning ignition along a curved surface.

Li, Hsi-Shang↗

NASA NTRS1997

Effects of Buoyancy on Laminar and Turbulent Premixed V-Flame

Turbulent combustion occurs naturally in almost all combustion systems and involves complex dynamic coupling of chemical and fluid mechanical processes. It is considered as one of the most challenging combustion research problems today. Though buoyancy has little effect on power generating systems operating under high pressures (e.g., IC engines and turbines), flames in atmospheric burners and the operation of small to medium furnaces and boilers are profoundly affected by buoyancy. Changes in burner orientation impacts on their blow-off, flash-back and extinction limits, and their range of operation, burning rate, heat transfer, and emissions. Theoretically, buoyancy is often neglected in turbulent combustion models. Yet the modeling results are routinely compared with experiments of open laboratory flames that are obviously affected by buoyancy. This inconsistency is an obstacle to reconciling experiments and theories. Consequently, a fundamental understanding of the coupling between turbulent flames and buoyancy is significant to both turbulent combustion science and applications. The overall effect of buoyancy relates to the dynamic interaction between the flame and its surrounding, i.e., the so-called elliptical problem. The overall flame shape, its flowfield, stability, and mean and local burning rates are dictated by both upstream and downstream boundary conditions. In steady propagating premixed flames, buoyancy affects the products region downstream of the flame zone. These effects are manifested upstream through the mean and fluctuating pressure fields to influence flame stretch and flame wrinkling. Intuitively, the effects buoyancy should diminish with increasing flow momentum. This is the justification for excluding buoyancy in turbulent combustion models that treats high Reynolds number flows. The objectives of our experimental research program is to elucidate flame-buoyancy coupling processes in laminar and turbulent premixed flames, and to characterize microgravity (micro g) premixed flames. The results are used to derive appropriate scaling parameters for guiding the development of theoretical models to include the effects of buoyancy. Knowledge gain from the analysis will also contribute to further understanding of the elliptical nature of premixed flames. Our current emphasis is to examine the momentum limit above which the effects of buoyancy would become insignificant. This is accomplished by comparing the flowfields and the mean properties of normal gravity flames (+g), and reversed gravity flames (-g, up-side-down flames) at different flow velocities and turbulence intensities. Microgravity (micro g) flames experiments provide the key reference data to reconcile the differences between flames in +g and -g. As flame configuration has significant impact on premixed flames characteristics we have studied axi-symmetric conical flames and plane-symmetric rod-stabilized v-flames. The two configurations produce distinct features that dictates how the flames couple with buoyancy. In a conical flame, the hot products plume completely envelopes the flame cone and shields the flame from direct interaction with the ambient air. The plume originates at the burner rim and generates a divergent flowfield. In comparison, the products region of v-flames forms between the twin flame sheets and it is convergent towards the center-plane. Interaction with ambient air is limited to the two end regions of the stabilized rod and beyond the flame sheets.

Cheng, Robert K.↗

NASA NTRS1992

A pressure correction method for the calculation of compressible chemical reacting flows

A recently developed noniterative method for the solution of the transient fluid flow equations at all speed is extended to handle chemical reacting flows. The species conservation equations are loosely coupled into the predictor/multicorrector sequence of the solution procedure. A split-operator method separates the chemical kinetics terms from the fluid-dynamical terms, as well as an implicit differencing method enhance the numerical stability. The method was applied for turbulent diffusion flame calculations and for the analyses of high pressure, axisymmetric turbulent hypersonic nozzle flows. The diffusion flame results were compared with a similar pressure method for fast chemistry integration scheme without operator-splitting. Simulations of the nozzle flow indicated that the nonideal intermolecular effects must be included in the analysis and design of high pressure hypersonic nozzle.

Chen, Z. J.↗

NASA NTRS1997

Application of Chimera Grid Scheme to Combustor Flowfields at all Speeds

A CFD method for solving combustor flowfields at all speeds on complex configurations is presented. The approach is based on the ALLSPD-3D code which uses the compressible formulation of the flow equations including real gas effects, nonequilibrium chemistry and spray combustion. To facilitate the analysis of complex geometries, the chimera grid method is utilized. To the best of our knowledge, this is the first application of the chimera scheme to reacting flows. In order to evaluate the effectiveness of this numerical approach, several benchmark calculations of subsonic flows are presented. These include steady and unsteady flows, and bluff-body stabilized spray and premixed combustion flames.

Yungster, Shaye↗

DOE OSTI2022

Conversion of Phenolic Oil from Biomass Pyrolysis into Phenyl Esters

Bio-oil is among the most economical approaches for advanced biofuel production. However, bio-oil faces several challenges including high acidity and viscosity, poor storage, and thermal stability. This study focuses on the upgradation of lignocellulosic (corn stover and yellow pine) bio-oil derived phenolic oil (PO), produced by the autothermal fast pyrolysis, through acid-catalyzed esterification reaction. Our strategy exploits a little recognized chemistry: the Fischer esterification of PO and carboxylic acids into carboxylic acid phenyl esters (CAPE) using Dean Stark distillation. Analyses by the Folin–Ciocalteu method, Karl Fischer titration, gas chromatography flame ionization detector, and the molecular weight determination by gel permeation chromatography suggest the conversion of 50 wt% added phenolics to their corresponding CAPE. The Fourier transform infrared spectroscopy analysis confirmed the formation of new C=O and two C–O stretching bands and decrease in the intensity of phenolic-OH bands in the CAPE. The 13 C NMR analysis supports the formation of CAPE together with some unreacted precursors. A base-catalyzed ester hydrolysis experiment and mass balance calculation show an excellent agreement (within 5% range) of the equivalent weight between the produced ester and the phenyl hexanoate. Brookfield analysis indicates that CAPE has 330-fold lower viscosity than starting PO. Heating values of CAPE were higher than PO, from which they were derived (42.2 and 43.6%, respectively, for PO from pyrolysis of corn stover and yellow pine), while moisture content decreased by 98.3 and 98.7%, respectively. The CAPE, which is a phenolic analogue of methyl esters used in biodiesel, has improved stability compared to PO from which it was derived.

42 ENGINEERING↗

NASA NTRS1972

Effects of rotating flows on combustion and jet noise.

Experimental investigations of combustion in rotating (swirling) flow have shown that the mixing and combustion processes were accelerated, flame length and noise levels significantly decreased, and flame stability increased relative to that obtained without rotation. Unsteady burning accompanied by a pulsating flame, violent fluctuating jet, and intense noise present in straight flow burning were not present in rotating flow burning. Correlations between theory and experiment show good agreement. Such effects due to rotating flows could lead to suppressing jet noise, improving combustion, reducing pollution, and decreasing aircraft engine size. Quantitative analysis of the aero-acoustic relationship and noise source characteristics are needed.-

Schwartz, I. R.↗

NASA NTRS2005

Control of Combustion-Instabilities Through Various Passive Devices

It is well known that under some operating conditions, rocket engines (using solid or liquid fuels) exhibit unstable modes of operation that can lead to engine malfunction and shutdown. The sources of these instabilities are diverse and are dependent on fuel, chamber geometry and various upstream sources such as pumps, valves and injection mechanism. It is believed that combustion-acoustic instabilities occur when the acoustic energy increase due to the unsteady heat release of the flame is greater than the losses of acoustic energy from the system [1, 2]. Giammar and Putnam [3] performed a comprehensive study of noise generated by gasfired industrial burners and made several key observations; flow noise was sometimes more intense than combustion roar, which tended to have a characteristic frequency spectrum. Turbulence was amplified by the flame. The noise power varied directly with combustion intensity and also with the product of pressure drop and heat release rate. Karchmer [4] correlated the noise emitted from a turbofan jet engine with that in the combustion chamber. This is important, since it quantified how much of the noise from an engine originates in the combustor. A physical interpretation of the interchange of energy between sound waves and unsteady heat release rates was given by Rayleigh [5] for inviscid, linear perturbations. Bloxidge et al [6] extended Rayleigh s criterion to describe the interaction of unsteady combustion with one-dimensional acoustic waves in a duct. Solutions to the mass, momentum and energy conservation equations in the pre- and post-flame zones were matched by making several assumptions about the combustion process. They concluded that changes in boundary conditions affect the energy balance of acoustic waves in the combustor. Abouseif et al [7] also solved the one-dimensional flow equations, but they used a onestep reaction to evaluate the unsteady heat release rate by relating it to temperature and velocity perturbations. Their analysis showed that oscillations arise from coupling between entropy waves produced at the flame and pressure waves originating from the nozzle. Yang and Culick [8] assumed a thin flame sheet, which is distorted by velocity and pressure oscillations. Conservation equations were expressed in integral form and solutions for the acoustic wave equations and complex frequencies were obtained. The imaginary part of the frequency indicated stability regions of the flame. Activation energy asymptotics together with a one-step reaction were used by McIntosh [9] to study the effects of acoustic forcing and feedback on unsteady, one-dimensional flames. He found that the flame stability was altered by the upstream acoustic feedback. Shyy et al [10] used a high-accuracy TVD scheme to simulate unsteady, one-dimensional longitudinal, combustion instabilities. However, numerical diffusion was not completely eliminated. Recently, Prasad [11] investigated numerically the interactions of pressure perturbations with premixed flames. He used complex chemistry to study responses of pressure perturbations in one-dimensional combustors. His results indicated that reflected and transmitted waves differed significantly from incident waves.

Frendi, Kader↗

DOE OSTI2021

The Effect of Pressure on NO x Entitlement and Reaction Timescales in a Premixed Axial Jet-In-Crossflow

This paper investigates the pressure dependency of a lean premixed jet injected into a lean vitiated crossflow with an experimentally verified detailed chemistry computational fluid dynamics (CFD) model and 53 species considered. Experimental data were taken in an axially staged combustor with an optically accessible test section, allowing the use of particle image velocimetry (PIV) and CH* chemiluminescence techniques as well as point measurement of species concentration, temperature, and pressure. The experimental data cases at one, three, and five atmospheres were selected to describe the flame stabilization dependency on pressure and gain the required knowledge for an extrapolation to engine condition. Simulated exit nitrogen oxide levels were validated with experimental emission data, and a global emission trend for the NO reduction at elevated pressure and constant turbine inlet temperature level was defined. The nitrogen oxide benefit at elevated operating pressure was justified with the significantly smaller flame surface area: the analysis of the simulated spanwise and top-view profiles showed a relatively short receded core flame with nitrogen oxide production in the center at high pressure relative to a longer and larger shear layer flame at atmospheric condition that produced NO toward the inner and outer side of the flame. Furthermore, decomposition of the Damköhler number revealed the strong influence of the reaction timescales with higher reaction rates at elevated pressure, along with a moderate influence of the turbulent timescales, showing higher turbulence intensity in the lee-side recirculation zone at lower pressure.

03 NATURAL GAS↗

NASA NTRS2014

Gaseous Non-Premixed Flame Research Planned for the International Space Station

Thus far, studies of gaseous diffusion flames on the International Space Station (ISS) have been limited to research conducted in the Microgravity Science Glovebox (MSG) in mid-2009 and early 2012. The research was performed with limited instrumentation, but novel techniques allowed for the determination of the soot temperature and volume fraction. Development is now underway for the next experiments of this type. The Advanced Combustion via Microgravity Experiments (ACME) project consists of five independent experiments that will be conducted with expanded instrumentation within the stations Combustion Integrated Rack (CIR). ACMEs goals are to improve our understanding of flame stability and extinction limits, soot control and reduction, oxygen-enriched combustion which could enable practical carbon sequestration, combustion at fuel lean conditions where both optimum performance and low emissions can be achieved, the use of electric fields for combustion control, and materials flammability. The microgravity environment provides longer residence times and larger length scales, yielding a broad range of flame conditions which are beneficial for simplified analysis, e.g., of limit behaviour where chemical kinetics are important. The detailed design of the modular ACME hardware, e.g., with exchangeable burners, is nearing completion, and it is expected that on-orbit testing will begin in 2016.

microgravity↗

DOE OSTI2023

Cost-constrained adaptive simulations of transient spray combustion in a gas turbine combustor

Predictive high-fidelity simulations of turbulent spray combustion must capture the combined effects of complex chemistry, multiphase evaporating flow and spray-flame interactions to achieve physical accuracy. Finite-rate chemistry (FRC) combined with a realistic chemical mechanism is a combustion model well-suited for this purpose, but has a high computational cost due to the large number and stiffness of transported chemical species. In contrast, flamelet-based models achieve lower cost by transporting a small number of quantities of reduced stiffness, but assumptions regarding local flame topology, boundary conditions and inter-phase coupling limit their physical accuracy. Recently, the Pareto-efficient combustion (PEC) framework was developed to dynamically assign combustion models based on local cost and accuracy metrics in gas-phase reacting flows. In this work, we extend this PEC framework to spray combustion through the rigorous analysis of the multiphase coupling terms in the governing equations. The derivation shows that spray evaporation causes errors in the prediction of species mass fractions for flamelet-based models due to the sensitivity of the local thermo-chemical state to changes in composition caused by fuel vaporization across combustion regimes present in practical spray combustion devices. Sub-model assignment is formulated as a multiple-choice knapsack problem, where computational cost is directly controlled through the fraction of the domain assigned to the FRC sub-model. The extended PEC formulation is applied to the simulation of a realistic rich-quench-lean gas turbine combustor at steady-state conditions, as well as transient operation resulting in lean blow-out (LBO). Analysis of transient simulations during LBO demonstrates the extended PEC formulation’s capacity to dynamically adapt to changing conditions within the combustor. Transient combustor dynamics are shown to approach convergence with limited increases in computational cost, while retaining substantial computational cost reduction compared to monolithic FRC simulations. Through PEC simulations with increasing fractions of the domain assigned to FRC, monolithic flamelet simulations are shown to over-predict flame stability during LBO. Finally, the extended PEC formulation is thus shown to overcome deficiencies of monolithic models by controlling modeling error for multiphase combustion modeling.

33 ADVANCED PROPULSION SYSTEMS↗

NASA NTRS2000

Treatability Study of Pentaborane(9)

Procedures for the safe destruction of liquid pentaborane(9), B5H9, by solvolysis were investigated. The objective of the study was to establish the optimum conditions for a pilot plant operation that would use water, or alcohol, or water-alcohol mixtures as the solvolysis reagent Small amounts of B5H9 sprayed from a syringe will not necessarily enflame, nor will a small pool on a spot plate. Therefore, a procedure was developed to reproducibly demonstrate the flammability of B5H9 In these tests every sample of neat B5H9 ignited and burned with a very sooty flame till the sample was consumed. The spontaneous self-ignition of B5H9 was quenched by the addition of small concentrations of the ethers THF (tetrahydrofuran) or DME (1,2-dimethoxy ethane). It was found that 10% (volume) of either provided total quenching with a large margin of safety. When these stabilized solutions were exposed to air, they decomposed and evaporated leaving a residue that was identified by NMR analysis as boric acid. Most of the laboratory solvolysis experiments used the 90% B5H9, 10% THF solution. This mixture was safer to handle and its solvolysis reactivity was virtually identical to that of 100% B5H9. Reaction rates were analyzed by measurement of hydrogen evolved during the solvolysis reactions. In terms of the minimum overall complete reaction time, the data indicate that 50150 alcohol/water is the optimum solvolysis reagent. This reaction produced a mixture of boric acid, B(OH)3, and triethoxyborane, B(OEt)3 [Et = C2H5], and mixed exchange derivatives thereof.

McDonald, Joseph K.↗

NASA NTRS1983

Review of alternative fuels data bases

Based on an analysis of the interaction of fuel physical and chemical properties with combustion characteristics and indicators, a ranking of the importance of various fuel properties with respect to the combustion process was established. This ranking was used to define a suite of specific experiments whose objective is the development of an alternative fuels design data base. Combustion characteristics and indicators examined include droplet and spray formation, droplet vaporization and burning, ignition and flame stabilization, flame temperature, laminar flame speed, combustion completion, soot emissions, NOx and SOx emissions, and the fuels' thermal and oxidative stability and fouling and corrosion characteristics. Key fuel property data is found to include composition, thermochemical data, chemical kinetic rate information, and certain physical properties.

Harsha, P. T.↗

NASA NTRS2000

Treatability Study of Pentaborane(9)

Procedures for the safe destruction of liquid pentaborane(9), B5H9, by solvolysis were investigated. The objective of the study was to establish the optimum conditions for a pilot plant operation that would use water, or alcohol, or water-alcohol mixtures as the solvolysis reagent. Small amounts of B5H9 sprayed from a syringe will not necessarily enflame, nor will a small pool on a spot plate. Therefore, a procedure was developed to reproducibly demonstrate the flammability of B5H9. In these tests every sample of neat B5H9 ignited and burned with a very sooty flame till the sample was consumed. The spontaneous self-ignition of B5H9 was quenched by the addition of small concentrations of ethers THF (tetrahydrofuran) or DME (1,2-dimethoxy ethane). It was found that ten percent (volume) of either provided total quenching with a large margin of safety. When these stabilized solutions were exposed to air, they decomposed and evaporated leaving a residue that was identified by nuclear magnetic resonance (NMR) analysis as boric acid. Most of the laboratory solvolysis experiments used the 90 percent B5H9, 10 percent THF solution. This mixture was safer to handle and its solvolysis reactivity was virtually identical to that of 100 percent B5H9. Reaction rates were analyzed by measurement of hydrogen evolved during the solvolysis reactions. In terms of the minimum overall complete reaction time, the data indicate that 50/50 alcohol/water is the optimum solvolysis reagent. This reaction produced a mixture of boric acid, B(OH)3, and triethoxyborane, B(OEt)3[Et = C2H5], and mixed exchange derivatives thereof.

McDonald, Joseph K.↗

DOE OSTI2021

Hybrid Large Eddy Simulation/Reynolds-Averaged Navier–Stokes Analysis of a Premixed Ethylene-Fueled Dual-Mode Scramjet Combustor

Hydrocarbon fuels offer optimal high energy per volume for scramjet applications for sustained hypersonic flight but require additional residence time due to slower ignition delays (compared with hydrogen fuel). The injection of ethylene at the start of the isolator of a dual-mode scramjet combustor, operating in ramjet mode, allows sufficient mixing to achieve efficient premixed turbulent combustion. A cavity flameholder anchors the flame, supplying sufficient radicals to sustain a stable flame in the high-speed environment. This work investigates flame structure and stabilization limits of a new configuration with a scaled-down cavity embedded in the flow path of the combustor with a strut and insert. The cavity is reduced in size by one-third to enable eventual direct numerical simulations of the flame stabilization process. This work, however, focuses on modeling the full isolator/combustor geometry using a hybrid large eddy simulation/Reynolds-averaged Navier–Stokes simulation strategy. Additionally, particle image velocimetry, planar laser-induced fluorescence, coherent anti-Stokes Raman spectroscopy, and pressure measurements are compared with numerical predictions to analyze and characterize the conditions within the combustor, including flame structure, flow velocities, species composition, and wall pressure. An adjustable air throttle in the extender is able to control the placement of the shock train in the isolator and maintain a stable flame at various equivalence ratios. The simulations show reasonably good agreement with the experimental scalar and velocity data and predict a flame angle consistent with premixed turbulent flame-speed correlations.

42 ENGINEERING↗

NASA NTRS1999

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.

Hagstrom, Thomas↗

NASA NTRS2003

Oscillatory Extinction Of Spherical Diffusion Flames

Since extinction has been observed in an oscillatory manner in Le greater than 1 premixed flames, it is not unreasonable to expect that extinction could occur in an unsteady manner for diffusion flames. Indeed, near-limit oscillations have been observed experimentally under microgravity conditions for both candle flames and droplet flames. Furthermore, the analysis of Cheatham and Matalon on the unsteady behavior of diffusion flames with heat loss, identified an oscillatory regime which could be triggered by either a sufficiently large Lewis number (even without heat loss) or an appreciable heat loss (even for Le=1). In light of these recent understanding, the present investigation aims to provide a well-controlled experiment that can unambiguously demonstrate the oscillation of diffusion flames near both the transport- and radiation-induced limits. That is, since candle and jet flames are stabilized through flame segments that are fundamentally premixed in nature, and since premixed flames are prone to oscillate, there is the possibility that the observed oscillation of these bulk diffusion flames could be triggered and sustained by the oscillation of the premixed flame segments. Concerning the observed oscillatory droplet extinction, it is well-known that gas-phase oscillation in heterogeneous burning can be induced by and is thereby coupled with condensed-phase unsteadiness. Consequently, a convincing experiment on diffusion flame oscillation must exclude any ingredients of premixed flames and other sources that may either oscillate themselves or promote the oscillation of the diffusion flame. The present experiment on burner-generated spherical flames with a constant reactant supply endeavored to accomplish this goal. The results are further compared with those from computational simulation for further understanding and quantification of the flame dynamics and extinction.

Law, C. K.↗

NASA NTRS1999

Effects of Buoyancy on the Flowfields of Lean Premixed Turbulent V-Flames

Open laboratory turbulent flames used for investigating fundament flame turbulence interactions are greatly affected by buoyancy. Though much of our current knowledge is based on observations made in these open flames, the effects of buoyancy are usually not included in data interpretation, numerical analysis or theories. This inconsistency remains an obstacle to merging experimental observations and theoretical predictions. To better understanding the effects of buoyancy, our research focuses on steady lean premixed flames propagating in fully developed turbulence. We hypothesize that the most significant role of buoyancy forces on these flames is to influence their flowfields through a coupling with mean and fluctuating pressure fields. Changes in flow pattern alter the mean aerodynamic stretch and in turn affect turbulence fluctuation intensities both upstream and downstream of the flame zone. Consequently, flame stabilization, reaction rates, and turbulent flame processes are all affected. This coupling relates to the elliptical problem that emphasizes the importance of the upstream, wall and downstream boundary conditions in determining all aspects of flame propagation. Therefore, buoyancy has the same significance as other parameters such as flow configuration, flame geometry, means of flame stabilization, flame shape, enclosure size, mixture conditions, and flow conditions.

Cheng, R. K.↗