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At least 955 records · Page 53

Understanding the ignition mechanism of high-pressure spray flames

A conceptual model for turbulent ignition in high-pressure spray flames is presented. The model is motivated by first-principles simulations and optical diagnostics applied to the Sandia n-dodecane experiment. The Lagrangian flamelet equations are combined with full LLNL kinetics (2755 species; 11,173 reactions) to resolve all time and length scales and chemical pathways of the ignition process at engine-relevant pressures and turbulence intensities unattainable using classic DNS. The first-principles value of the flamelet equations is established by a novel chemical explosive mode-diffusion time scale analysis of the fully-coupled chemical and turbulent time scales. Contrary to conventional wisdom, this analysis reveals that the high Damköhler number limit, a key requirement for the validity of the flamelet derivation from the reactive Navier–Stokes equations, applies during the entire ignition process. Corroborating Rayleigh-scattering and formaldehyde PLIF with simultaneous schlieren imaging of mixing and combustion are presented. Our combined analysis establishes a characteristic temporal evolution of the ignition process. First, a localized first-stage ignition event consistently occurs in highest temperature mixture regions. This initiates, owed to the intense scalar dissipation, a turbulent cool flame wave propagating from this ignition spot through the entire flow field. This wave significantly decreases the ignition delay of lower temperature mixture regions in comparison to their homogeneous reference. This explains the experimentally observed formaldehyde formation across the entire spray head prior to high-temperature ignition which consistently occurs first in a broad range of rich mixture regions. There, the combination of first-stage ignition delay, shortened by the cool flame wave, and the subsequent delay until second-stage ignition becomes minimal. A turbulent flame subsequently propagates rapidly through the entire mixture over time scales consistent with experimental observations. As a result, we demonstrate that the neglect of turbulence-chemistry-interactions fundamentally fails to capture the key features of this ignition process.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Soot formation and growth with palladium acetylacetonate-toluene injection in ethylene base flames investigated by in situ synchrotron small-angle X-ray scattering

Organo-Pd compounds as fuel additives are proven to have distinct catalytic effects on enhancing ignition and combustion performance. However, their effects on soot emission and the mechanism are not well-established. In this study, the effect of palladium acetylacetonate (Pd(C 5 H 7 O 2 ) 2 , Pd(acac) 2 ) on soot formation and growth was investigated experimentally. Different concentrations of Pd(acac)2 were added in the ethylene flames. Synchrotron small-angle X-ray scattering (SAXS) and transmission electron microscopy (TEM) were used to detect the soot particles to obtain the size, shape and morphology information. The results show that the Pd(acac) 2 addition with low concentration (100 ppm) suppresses the formation and growth of the primary soot particles at each height above the burner. As the addition concentration increases to 200 and 300 ppm, the size and volume fraction of the soot particles are decreased at the low flame region, and increased at the high flame region. Furthermore, detailed size distribution, morphology and nanostructure information of the soot particles at different flame heights are discussed.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Insight into premixed diethoxymethane flames: Laminar burning velocities, temperatures, and emissions behaviour

Diethoxymethane ((CH 3 CH 2 O) 2 CH 2 , DEM) is a promising carbon-neutral fuel. DEM is a diether or acetal with a molecular structure similar to oxymethylene ethers (CH 3 O–(CH 2 O)n–CH 3 , OME n ). Thus, DEM can be expected to have a similar combustion behavior to OMEs, reducing harmful emissions such as NO x and particulate matter (PM) in internal combustion engines. From both experimental and kinetic modeling, fundamental studies on DEM are scarce in the literature. More studies are required to gain a detailed insight into the oxidation kinetics of DEM. Laminar burning velocity (LBV) is a critical property that allows a detailed assessment of the potential application of DEM in combustion devices. Unfortunately, the literature on the LBV of DEM is limited. Therefore, in this study we have investigated the LBV of DEM using two reactors for the first time, namely a heat flux burner and a combustion chamber. The experimental data is reported for equivalence ratio between 0.7 and 1.7, initial temperatures of 368–423 K, and initial pressure of 1–5 bar. In addition, we developed a detailed kinetic model extending our recent work of Shrestha et al. (Combust. Flame. 246 (2022) 112,426) to characterize the combustion behavior of DEM utilizing the new experimental data from this work and the literature data. Our model performs remarkably well in capturing the newly measured LBV experimental data over various experimental conditions. We found that DEM and dimethoxy methane (DMM) have similar values of LBVs (within ±1.5 cm/s) for a given condition, which indicates that intermediate chemistry governs the flame chemistry. Despite DEM being a larger molecule that is expected to have slightly lower LBVs than DMM, its effect on the measured values of LBVs is negligible. Finally, we experimentally measured NO x formation in DEM flame for the first time. The stochiometric flame has the highest NO x formation. The proposed model predicted the equivalence ratio dependence of NO x nicely. However, it overestimates the NO x formation for stoichiometric DEM/air mixtures by ~30 %. The model suggests that the thermal NO formation route is favored at lean and stochiometric conditions. In contrast, the prompt NO formation route is enhanced for rich mixtures.

10 SYNTHETIC FUELS↗

Turbulent flame–wall interaction: a direct numerical simulation study

A turbulent flame–wall interaction (FWI) configuration is studied using three-dimensional direct numerical simulation (DNS) and detailed chemical kinetics. The simulations are used to investigate the effects of the wall turbulent boundary layer (i) on the structure of a hydrogen–air premixed flame, (ii) on its near-wall propagation characteristics and (iii) on the spatial and temporal patterns of the convective wall heat flux. Results show that the local flame thickness and propagation speed vary between the core flow and the boundary layer, resulting in a regime change from flamelet near the channel centreline to a thickened flame at the wall. This finding has strong implications for the modelling of turbulent combustion using Reynolds-averaged Navier–Stokes or large-eddy simulation techniques. Moreover, the DNS results suggest that the near-wall coherent turbulent structures play an important role on the convective wall heat transfer by pushing the hot reactive zone towards the cold solid surface. At the wall, exothermic radical recombination reactions become important, and are responsible for approximately 70% of the overall heat release rate at the wall. Spectral analysis of the convective wall heat flux provides an unambiguous picture of its spatial and temporal patterns, previously unobserved, that is directly related to the spatial and temporal characteristic scalings of the coherent near-wall turbulent structures.

Mechanics↗

Large eddy simulation of a supersonic lifted hydrogen flame: Impacts of Lewis, turbulent Schmidt and Prandtl numbers

Parametric large eddy simulations (LES) of a supersonic lifted hydrogen flame are reported. The emphases are on two aspects: impacts of (1) Lewis number (Lei of the ith species) and (2) turbulent Schmidt and Prandtl numbers (⁠Sc t and Pr t ⁠) on supersonic turbulent flame and flow structures. Five cases are considered: species-specific Le i , Sc t = Sr t = 1.0 (C 0 ); unity Le i , Sc t = Pr t = 1.0 (C 1 ); species-specific Sc t = 0.5, Pr t = 1.0 (C 2 ); species-specific Le i , Sc t = 1.0, Pr t = 0.5 (C 3 ); and species-specific Le i , Sc t = Pr t = 0.5 (C 4 ). Numerical results of instantaneous and/or time-averaged species mole fractions, mixture fraction, heat release rate, flame base location, and mixed modes of premixed and diffusion combustion are compared between cases C 0 and C 1 . Differences in auto-ignition locations and strengths and flame structures and stabilization specify the impacts of Lewis number. They are triggered by different predictions of species mass and thermal diffusions at fuel-coflow and/or coflow-ambient air mixing layers. These differences are rationalized by a scale analysis of mass/thermal diffusion and convection for case C 0 , which suggests the relatively low but non-negligible former against the latter. Cases C 0 and C 2 –C 4 barely see differences in terms of instantaneous and/or time-averaged temperature, velocity, and mixed combustion modes except for further downstream areas where combustion occurs. Both Sc t and Pr t impose less significant influences than Lewis number, as sub-grid scale mass/thermal diffusion is subordinate to its resolved counterpart according to their scale analysis for case C 4 .

42 ENGINEERING↗

High-Fidelity Energy Deposition Ignition Model Coupled with Flame Propagation Models at Engine-like Flow Conditions

With the heightened pressure on car manufacturers to increase the efficiency and reduce the carbon emissions of their fleets, more challenging engine operation has become a viable option. Highly dilute, boosted, and stratified charge, among others, promise engine efficiency gains and emissions reductions. At such demanding engine conditions, the spark-ignition process is a key factor for the flame initiation propagation and the combustion event. From a computational standpoint, there exist multiple spark-ignition models that perform well under conventional conditions but are not truly predictive under strenuous engine operation modes, where the underlying physics needs to be expanded. In this paper, a hybrid Lagrangian-Eulerian spark-ignition (LESI) model is coupled with different turbulence models, grid sizes, and combustion models. The ignition model, previously developed, relies on coupling Eulerian energy deposition with a Lagrangian particle evolution of the spark channel, at every time-step. The spark channel is attached to the electrodes and allowed to elongate at a speed derived from the flow velocity. The LESI model is used to simulate spark ignition in a nonquiescent crossflow environment at engine-like conditions, using converge commercial computational fluid dynamics (CFD) solver. The results highlight the consistency, robustness, and versatility of the model in a range of engine-like setups, from typical with Reynolds-averaged Navier-Stokes (RANS) and a larger grid size to high fidelity with large-eddy simulation (LES) and a finer grid size. The flame kernel growth is then evaluated against Schlieren images from an optical constant volume ignition chamber with a focus on the performance of flame propagation models, such as G-equation and thickened flame model, versus the baseline well-stirred reactor model. Finally, future development details are discussed.

Advanced ignition modeling↗

Experimental Combustion and Flame Characterization of a Chemical Looping-Based Oxidative Dehydrogenation Byproduct Fuel Mixture Containing High CO2 Dilution

Abstract This study investigates the combustion performance of a CO2-rich fuel mixture containing ethane and methane as active species using a constant volume combustion chamber. This fuel is obtained as a byproduct of a chemical looping-based oxidative dehydrogenation (Cl-ODH) process ethylene production. The byproduct gas mixture has 40.79% CO2, 39.49% ethane, and 4.88% methane by weight with other minor compounds. Using this fuel for energy extraction would improve the process efficiency of the ethane to ethylene conversion. After initial combustion modeling, the gas fuel mixture was reduced to just the major species: CO2, ethane, and methane. The mixture was then tested for flammability limits and combustion performance under spark-ignition conditions. Effects of ambient conditions like temperatures between 300 and 400 K with initial pressures from 1 to 10 bar were tested. The effects of stoichiometry were tested to understand flame velocities and heat release. The fuel mixture showed an overall reduced flame velocity compared to gasoline. Instability in combustion was believed to be caused by the dissociation of ethane under elevated conditions. At higher pressures, the flame produces lower cumulative heat release. Simulations were also performed using a model tuned to replicate the operations of the combustion chamber used in the experiments. Heat release and unburnt fuel mass data were calculated to identify the discrepancies in the combustion completeness at elevated pressures. The effects of CO2 quenching the flame coupled with the increased dissociation of the fuel species can lead to up to more than 75% of the fuel mixture being unburnt. Data from this study were used to modify a small-scale spark-ignition engine to use this fuel and produce usable energy.

Energy & Fuels↗

Comparison of Radiation Models for a Turbulent Piloted Methane/Air Jet Flame: A Frozen-Field Study

Numerical modeling of radiative transfer in nongray reacting media is a challenging problem in computational science and engineering. The choice of radiation models is important for accurate and efficient high-fidelity combustion simulations. Different applications usually involve different degrees of complexity, so there is yet no consensus in the community. In this paper, the performance of different radiative transfer equation (RTE) solvers and spectral models for a turbulent piloted methane/air jet flame are studied. The flame is scaled from the Sandia Flame D with a Reynolds number of 22,400. Three classes of RTE solvers, namely the discrete ordinates method, spherical harmonics method, and Monte Carlo method, are examined. The spectral models include the Planck-mean model, the full-spectrum k-distribution (FSK) method, and the line-by-line (LBL) calculation. The performances of different radiation models in terms of accuracy and computational cost are benchmarked. The results have shown that both RTE solvers and spectral models are critical in the prediction of radiative heat source terms for this jet flame. The trade-offs between the accuracy, the computational cost, and the implementation difficulty are discussed in detail. The results can be used as a reference for radiation model selection in combustor simulations.

David, Chloe↗

Examining the role of flame topologies and in-cylinder flow fields on cyclic variability in spark-ignited engines using large-eddy simulation

In this work we have studied cycle-to-cycle variation (CCV) in a spark-ignited (SI) engine using large-eddy simulation (LES) in conjunction with the G-equation combustion model. A single cylinder of a four-cylinder port-fueled SI engine was simulated. 49 consecutive full cycles were computed. The operating condition studied in this work is stoichiometric and stable, and represents a load of 16 bar brake mean effective pressure (BMEP), and an engine speed of 2500 revolutions per minute (r/min). The CFD simulation shows good agreement in terms of in-cylinder pressure prediction with respect to the experiments, and is also able to capture the range of CCV observed in experiments. Further, neither the simulation, nor the experiments show any distinguishable pattern in the sequence of high and low cycles. We numerically decoupled the effects of variations in equivalence ratio fields and velocity fields to isolate the effects of differences in the velocity field and differences in the equivalence ratio field on flame development and propagation. Based on this study we inferred that for this engine, under the operating conditions studied, the differences in burn rates can be attributed to the differences in the velocity flow-field in the region around the spark gap during ignition. We then performed an analysis to identify the correlation between peak cylinder pressure (PCP) and flame topologies over all the simulated cycles. We found that high cycles (higher PCP values) are strongly correlated to flatter flame volume shapes (flattened in the piston-to-head direction), and volumes that are more symmetric about the ignition axis. In addition, these kinds of flame volumes were found to correlate well with lower values of prior-to-ignition velocity going from the intake to the exhaust side (mean flow caused by tumble) at the spark, and also higher values of prior-to-ignition velocity in the piston-to-head direction.

CCV↗

Application of deep artificial neural networks to multi-dimensional flamelet libraries and spray flames

The “curse of dimensionality” has limited the applicability and expansion of tabulated combustion models. While the tabulated flamelet model and other multi-dimensional manifold approaches have shown predictive capability, the associated tabulation involves the storage of large lookup tables, requiring large memory as well as multi-dimensional interpolation subroutines, all implemented during runtime. As such, this work investigates the use of deep artificial neural networks to replace lookup tables in order to reduce the memory footprint and increase the computational speed of tabulated flamelets and related approaches. Specifically, different strategic approaches to training the artificial neural network models are explored and a grouped multi-target artificial neural network is introduced, which takes advantage of the ability of artificial neural networks to map an input space to multiple targets by classifying the species based on their correlation to one another. The grouped multi-target artificial neural network approach is validated by applying it to an n-dodecane spray flame using conditions of the Spray A flame from the Engine Combustion Network and comparing global flame characteristics for different ambient conditions using a well-established large-eddy simulation framework. The same framework is then extended to the simulations of methyl decanoate combustion in a compression ignition engine. The validation studies show that the grouped multi-target artificial neural networks are able to accurately capture flame liftoff, autoignition, two-stage heat release and other quantitative trends over a range of conditions. The use of neural networks in conjunction with the grouping mechanism as performed in the grouped multi-target artificial neural network produces a significant reduction in the memory footprint and computational costs for the code and, thus, widens the operating envelope for higher fidelity engine simulations with detailed mechanisms.

97 MATHEMATICS AND COMPUTING↗

An Experimental and Kinetic Modeling Study of Premixed Laminar Flames of Methyl Pentanoate and Methyl Hexanoate

Detailed chemical structures of stoichiometric and rich premixed laminar flames of methyl pentanoate and methyl hexanoate were investigated over a flat burner at 20 Torr and for methyl pentanoate at 1 atm. Molecular beam mass spectrometry was used with tunable synchrotron vacuum ultraviolet (VUV) photoionization for low pressure flames of both methyl pentanoate and methyl hexanoate, and soft electron-impact ionization was used for atmospheric pressure flames of methyl pentanoate. Mole fraction profiles of stable and intermediate species, as well as temperature profiles, were measured in the flames. A detailed chemical kinetic high temperature reaction mechanism for small alkyl ester oxidation was extended to include combustion of methyl pentanoate and methyl hexanoate, and the resulting model was used to compare computed values with experimentally measured values. Reaction pathways for both fuels were identified, with good agreement between measured and computed species profiles. Implications of these results for future studies of larger alkyl ester fuels are discussed.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Fuel properties to enable lifted-flame combustion

The Fuel Properties to Enable Lifted-Flame Combustion project responded directly to solicitation DE-FOA-0000239 AOI 1A, Fuels and Lubricants for Advanced Combustion Regimes. This subtopic was intended to encompass clean and highly-efficient, liquid-fueled combustion engines to achieve extremely low engine-out nitrogen oxides (NOx) and particulate matter (PM) as a target and similar efficiency as state-of-the-art direct injection diesel engines. The intent of this project was to identify how fuel properties can be used to achieve controllable Leaner Lifted Flame Combustion (LLFC) with low NOx and PM emissions. Specifically, this project was expected to identify and test key fuel properties to enable LLFC and their compatibility with current fuel systems and to enhance combustion models to capture the effect of fuel properties on advanced combustion. Successful demonstration of LLFC may reduce the need for after treatment devices, thereby reducing costs and improving thermal efficiency. The project team consisted of key technical personnel from Ford Motor Company (FMC), the University of Wisconsin-Madison (UW), Sandia National Laboratories (SNL) and Lawrence Livermore National Laboratories (LLNL). Each partner had key roles in achieving project objectives. FMC investigated fuel properties relating to LLFC and sooting tendency. Together, FMC and UW developed and integrated 3D combustion models to capture fuel property combustion effects. FMC used these modeling results to develop a combustion system and define fuel properties to support a single-cylinder demonstration of fuel-enabled LLFC. UW investigated modeling the flame characteristics and emissions behavior of different fuels, including those with different cetane number and oxygen content. SNL led spray combustion experiments to quantify the effect of key fuel properties on combustion characteristics critical for LLFC, as well as single cylinder optical engine experiments to improve fundamental understanding of flame lift-off, generate model validation data, and demonstrate LLFC concurrent with FMC efforts. Additionally, LLNL was added to the project during the second year to develop a detailed kinetic mechanism for a key oxygenate to support CFD modeling. Successful completion of this project allowed the team to enhance fundamental understanding of LLFC, improve the state of current combustion models and increase understanding of desired fuel properties. This knowledge also improves our knowledge of how cost effective and environmentally friendly renewable fuels can assist in helping meet future emission and greenhouse gas regulations.

Kurtz, Eric↗

Effectiveness of Flame Retardants in TufFoam.

An investigation of polyurethane foam filled with known flame retardant fillers including hydroxides, melamine, phosphate-containing compounds, and melamine phosphates was carried out to produce a low-cost material with high flame retardant efficiency. The impact of flame retardant fillers on the physical properties such a s composite foam density, glass transition temperature, storage modulus, and thermal expansion of composite foams was investigated with the goal of synthesizing a robust rigid foam with excellent flame retardant properties.

36 MATERIALS SCIENCE↗

Thirteenth International Workshop on Measurement and Computation of Turbulent Flames (TNF2016)

The TNF Workshop series was initiated in 1996 to address validation of RANS based models for turbulent nonpremixed flames and partially-premixed flames where combustion occurs mainly in a diffusion flame mode. The emphasis has been on fundamental issues of turbulence-chemistry interactions in flames that are relatively simple in terms of both geometry and chemistry. Although the TNF acronym has been retained, the word nonpremixed has been dropped from the title, and our scope has expanded (since TNF9 Montreal, 2008).

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

The effects of overwinter flowson the spring condition of rainbow and brown trout size classes in the Green River downstream of Flaming Gorge Dam, Utah.

Flaming Gorge Dam, a hydroelectric facility operated by the Bureau of Reclamation (Reclamation), is located on the Green River in Daggett County, northeastern Utah. Until recently, and since the early 1990s, single daily peak releases or steady flows have been the operational pattern of the dam during the winter period. However, releases from Flaming Gorge Reservoir followed a double-peak pattern (two daily flow peaks) during the winters of 2006-2007 and 2008-2009. Because there is little recent long-term history of double-peaking at Flaming Gorge Dam, the potential effects of double-peaking operations on trout body condition in the dam's tailwater are not known. A study plan was developed that identified research activities to evaluate potential effects from winter double-peaking operations (Hayse et al. 2009). Along with other tasks, the study plan identified the need to conduct a statistical analysis of historical trout condition and macroinvertebrate abundance to evaluate the potential effects of hydropower operations. The results from analyses based on the combined size classes of trout (85-630 mm) were presented in Magnusson et al. (2008). The results of this earlier analysis suggested possible relationships between trout condition and flow, but concern that some of the relationships resulted from size-based effects (e.g., apparent changes in condition may have been related to concomitant changes in size distribution, because small trout may have responded differently to flow than large trout) prompted additional analysis of within-size class relationships. This report presents the results of analyses of three different size classes of trout (small: 200-299 mm, medium: 300-399 mm, and large: {ge}400 mm body length). We analyzed historical data to (1) describe temporal patterns and relationships among flows, benthic macroinvertebrate abundance, and condition of brown trout (Salmo trutta) and rainbow trout (Oncorhynchus mykiss) in the tailwaters of Flaming Gorge Dam, and to (2) evaluate the relative importance of the effects of flow (i.e., flow volumes and flow variability), trout abundance (catch per unit effort [CPUE]), and benthic macroinvertebrate abundance on trout condition for different size classes of trout.

13 HYDRO ENERGY↗

Dynamics of Laterally Propagating Flames in X-Ray Bursts. I. Burning Front Structure

We investigate the structure of laterally propagating flames through the highly stratified burning layer in an X-ray burst. Two-dimensional hydrodynamics simulations of flame propagation are performed through a rotating plane-parallel atmosphere, exploring the structure of the flame. We discuss the approximations needed to capture the length and timescales at play in an X-ray burst and describe the flame acceleration observed. Finally, our studies complement other multidimensional studies of burning in X-ray bursts.

79 ASTRONOMY AND ASTROPHYSICS↗

Hydrogen and hydrocarbon diffusion flames in a weightless environment

An experimental investigation was performed on laminar hydrogen-, ethylene-, and propylene-air diffusion burning in a weightless environment. The flames burned on nozzles with radii ranging from 0.051 to 0.186 cm with fuel Reynolds numbers at the nozzle exit from 9 to 410. Steady-state diffusion flames existed in a weightless environment for all the fuels tested. A correlation was obtained for their axial length as a function of Schmidt number, Reynolds numbers, and stoichiometric mole fraction. The maximum flame radii were correlated with the ratio of nozzle radius to average fuel velocity. The flames of ethylene and propylene on nozzles with radii 0.113 or larger appeared to be constantly changing color and/or length throughout the test. No extinguishment was observed for any of the gases tested within the 2.2 seconds of weightlessness.

Haggard, J. B., Jr.↗

On the flame spreading over a polymer surface

The characteristics of flame propagation along the interface between a solid fuel and a gaseous oxidizer are considered. It is found that difficulties in a study of this problem are related to the eigenvalue character of the relative velocity of the flame with respect to the oxidizer flow. In the proposed model of flame spreading the difficulties are overcome by retaining the ellipticity of the governing equations and by taking the surface pyrolysis into account. The solution procedure makes use of a sink-source approach and the Fourier-transform method. Flame propagation velocity data computed on the basis of the described approach are compared with experimental results.

Ohki, Y.↗