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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 109 records · Page 6
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

Numerical Investigation of Ammonia/n-Heptane Dual-Fuel Spray Flames Using Large Eddy Simulations

Diesel engines are extensively used in heavy-duty transportation, power generation, and marine vehicles due to their superior thermal efficiency and extended high-load operability compared to spark ignition (SI) engines. However, combustion in diesel engines is generally characterized by locally rich fuel–air mixtures and high combustion temperatures, causing significant amounts of soot and NO x emissions from these engines. Utilizing carbon-free alternative fuels and enhancing fuel efficiency represent promising strategies to mitigate greenhouse gas (GHG) and other emissions in the heavy-duty transportation sector. In this context, ammonia (NH 3 ), as a hydrogen carrier, has received significant attention as a viable substitute for hydrocarbon fuels due to its carbon-free composition, relatively high energy density, and well-established infrastructure. Many previous studies have considered combustion and emission characteristics of ammonia-hydrocarbon fuel blends in engines and simplified flames. But, detailed investigations on the effects of ammonia on the performance of hydrocarbon fuels under engine conditions are lacking. In the present study, we perform large eddy simulations (LES) of the ignition and flame processes in a constant-volume combustion reactor, where n-heptane is injected in an ammonia/air ambient mixture in a diesel-like environment. A detailed and validated reaction mechanism containing 302 species and 1981 reactions is employed. The Engine Combustion Network Spray H experimental data is used to validate the spray model under both non-reacting and reacting conditions. Dual-fuel combustion is simulated using the well-stirred reactor (WSR) approach. Results are presented for two spray cases: (1) single fuel (SF) with n-heptane injected into a mixture of air and combustion products and (2) dual-fuel (DF) with the injection of n-heptane in a mixture of air, ammonia, and combustion products. It is observed that the presence of ammonia has a significant effect on the ignition and flame development processes. With ammonia addition, both the first- and second-stage ignition delay times increase, but the effect of ammonia on the second-stage ignition is significantly more prominent. In addition, the ignition kernel size and growth rate decrease noticeably. For SF spray, the main ignition is characterized by multiple ignition kernels near the spray tip, whereas for DF spray, a single relatively small ignition kernel forms and grows slowly in the downstream direction. The flame development and the final quasi-steady flame structure are also modified due to ammonia. Here, the outcome of this research would enable a better understanding of ammonia–diesel dual-fuel spray flame behavior and guide the development of associated engine combustion strategies.

ammonia↗
DOE OSTI2024

Recent Progress on Numerical Modeling for Microgravity Electric Field Flames: Preprint

This paper presents the recent progress on the NASA Physical Science Informatics (PSI) project PeleLM CFD of Ion Driven Winds from Diffusion Flames in simulating the E-FIELD Flames microgravity results. The focus of this project is to comprehensively simulate the behavior of a small diffusion flame under the influence of an externally applied electric field in zero-gravity. To date, the capability of accurately simulating electric field flames has eluded researchers because the system exhibits dramatic ranges of coupled temporal and spatial scales. Moreover, in earth gravity the hot combustion products are subject to buoyancy effects that are difficult to isolate from those generated by the electric field. This work is an implementation in an existing powerful simulation framework (PeleLM) for this problem using PeleLMeX in order to validate the model and investigate the complex coupled system. The current effort includes establishing the domain of a diffusion coflow burner, examining the boundary conditions, flame geometry and ignition with gravitational forces and also with an electric field applied. A detailed model is used that includes the chemistry of charged ions and chemiluminescent flame intermediates to capture any feedback between ion-driven convection and combustion behavior, and to allow quantitative comparisons with experimental measurements.

coflow flames↗
DOE OSTI2022

Non-premixed counterflow methane flames in DC/AC/NS electric fields

The response of counterflow diffusion flames to sub-breakdown DC and AC electric fields, as well as their superposition with ns pulse discharge waveforms, is studied in the plane-to-plane electrode geometry. Sub-breakdown DC and low-frequency AC electric fields cause the flame displacement toward the grounded electrode, in the direction of the applied field, indicating that the body force on the positive ions exceeds that on the electrons and negative ions. As the AC frequency increases, the flame response becomes less pronounced, due to the reduction of the electrohydrodynamic (EHD) body force impulse over the AC half-period. The electric field in the electrode gap is determined by ps Electric Field Induced Second Harmonic (E-FISH) generation, with absolute calibration using sub-breakdown ns pulses overlapped with the measured electric field waveform. The results show that the electric field distribution across the flame in the current saturation regime follows the Laplacian field. This indicates that the space charge density in the gap is too low to distort the applied DC or AC field, consistent with the kinetic modeling predictions. Combining a nanosecond pulse discharge with a sub-breakdown DC field generates a diffuse plasma across the entire gap. Time-resolved and spatially resolved measurements of the electric field in the discharge indicate the ionization wave propagation between the electrodes. The present results do not exhibit a detectable flame displacement enhancement by ns discharge pulses combined with a sub-breakdown field, observed previously. Kinetic modeling calculations show that the absence of this effect in the plane-to-plane geometry is due to the rapid plasma self-shielding. This indicates that alternative electrode geometries limiting the self-shielding would be more effective for the plasma / electric field enhanced flameholding and flame stabilization applications.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2020

Characterization of multi-regime reaction zones in a piloted inhomogeneous jet flame with local extinction

In this study, gradient free regime identification (GFRI) is applied to 1D Raman/Rayleigh/LIF measurements of temperature and major species from the intermediate velocity case of the Sydney piloted inhomogeneous jet flame series to better understand the structure of reaction zones and the downstream evolution of multi-regime characteristics. The GFRI approach allows local reaction zones to be detected and characterized as premixed, dominantly premixed, multi-regime, dominantly non-premixed, or non-premixed flame structures, based on flame markers (mixture fraction, chemical mode, and heat release rate) derived from the experimental data. The statistics of chemical mode zero-crossings, which mark premixed reaction zones, and the relative populations of flame structures are shown to be sensitive to the state of mixing in the near field of the flame and to the level of local extinction farther downstream. Multi-regime structures, where premixed and non-premixed reaction zones occur in close proximity and both contribute to overall heat release, account for nearly half the total population at streamwise locations within the first several jet diameters. There is a rapid transition within the near field whereby the relative population of non-premixed and dominantly non-premixed structures grows from 0.05 to nearly 0.5, and the population of premixed and dominantly premixed structures decreases correspondingly as fluid entering the reaction zone becomes progressively fuel-rich. Local extinction and re-ignition bring a resurgence in premixed-type structures, many of which occur at fuel-lean conditions. There are also modest populations of multi-regime structures, having chemical mode zero-crossings at lean conditions, which would not exist in a fully burning jet flame.

42 ENGINEERING↗
DOE OSTI2020

Spontaneous Raman–LIF–CO–OH measurements of species concentration in turbulent spray flames

This paper presents new measurements of species concentrations, temperature and mixture fraction in selected regions of a turbulent ethanol spray flame. The line-Raman–LIF–COsingle bondOH setup developed at the Sandia's Combustion Research Facility is utilised to probe regions of a spray flame where laser breakdown of liquid droplets is avoided and the remaining interferences can be corrected. The spray flame is stabilised on the piloted Sydney needle spray burner, where axial translation of the liquid injecting needle in the air-blast stream can transition the spray from dilute to dense. The solution to obtaining successful measurements is found to be multifaceted and includes: the appropriate selection of flame conditions; high sensitivity of the Raman detection system permitting reduced laser energies; development of a pre-processing algorithm to reject strong droplet interferences; and application of the hybrid matrix inversion method combined with wavelet denoising to account for interference corrections and noise at the very low signal levels obtained. Unique and necessary for the successful measurements reported in this paper, a pre-processing algorithm is outlined that removes data points corrupted with strong interferences from droplets. These interferences arise from a range of sources, but the most intense are due to the laser interaction with surrounding mist or liquid fragments, such that measurements near the jet centreline are corrupted and hence discarded. Reliable measurements of mixture fraction, temperature obtained from the sum of the species number densities, and species mole fractions are reported for regions in the flames sufficiently far from the centreline. The paper demonstrates the feasibility of the judicious use of Raman scattering in turbulent spray flames, the results of which will be extremely useful for validating numerical simulations.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2023

Reduced chemical kinetic model for CH 4 -air non-premixed flames including excited and charged species

Electric fields can impact small laminar flames by changing their shape and overall behavior by acting on charged species produced in combustion. However, no reduced chemical kinetic model has been developed considering both major species and minor species related to flame characterization and flame behavior in the presence of an electric field. Here, this study presents a reduced chemical kinetic model for methane-air combustion which includes minor excited species (CH*and OH*) and charged species (H 3 O + , HCO + , C 2 H 3 O + , CH 5 O + , O$_{2}^{–}$, OH – , e – , CO$_{3}^{–}$, CHO$_{2}^{–}$, O – , CHO$_{3}^{–}$). The results employing the reduced chemistry model have been validated for a two-dimensional flame geometry by comparison with (i) detailed chemistry simulation results for species location and peak values, and (ii) experimental CH* chemiluminescence location, considering the self-repulsion of charges yet without externally applied electric field to the flame. This reduced chemical kinetic model, with 45 species and 216 reactions, shows a computational demand one-third that of employing its equivalent detailed chemistry (83 species and 394 reactions). The reduction is modest but significant considering that high fidelity is needed to capture the behavior of the chemi-ion and chemiluminescent species. Future works will involve the use of this model for simulations predicting flame behavior with applied electric field (i.e., field strength ≠0 kV/cm).

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2025

2D CFD of lean premixed hydrogen–air flame quenching under locomotive engine conditions

Hydrogen (H 2 ) is a promising fuel for reducing emissions in heavy-duty internal combustion engines (ICEs), but its low quenching distance increases the risk of flame propagation into narrow crevice regions, such as piston-liner gaps. This work uses detailed CFD simulations with finite-rate chemistry to investigate premixed H 2 –air flame quenching in a two-dimensional (2D) region consistent with the piston-liner gap of a diesel ICE. Model accuracy was assessed by comparison with experimentally measured quenching distances in an annular stepwise diverging tube (ASDT). A parametric study was conducted to assess the influence of crevice width (0.05–1.18 mm), pressure (50–150 bar), unburned gas temperature (431–573 K), and equivalence ratio ( Φ= 0.3–0.6). Results show that the critical Péclet number for flame survival is no greater than 3.25, consistent with prior literature, even under ultra-lean and high-pressure conditions (Φ ≤ 0.3, > 50 bar). Additionally, flames with Péclet numbers exceeding 6.15 exhibited front wrinkling, suggesting the onset of velocity-driven instabilities and enhanced flame robustness. These findings help define thresholds for flame quenching in confined geometries and support the safe design of H 2 fueled ICEs.

08 HYDROGEN↗
DOE OSTI2024

Thermal diffusion, exhaust gas recirculation and blending effects on lean premixed hydrogen flames

Thermodiffusively-unstable lean premixed hydrogen flames are investigated using two-dimensional direct numerical simulation employing finite-rate chemical kinetics. Three databases are generated focussing on the inclusion of the Soret effect, the recirculation of exhaust gas, and blending with methane. A simple rescaling of a classic thermal diffusion model is presented and shown to mimic multicomponent diffusion with very low computational cost and little-to-no loss in accuracy. It is also shown that a previously developed model for mean local flame speeds in lean premixed hydrogen flames can still be used provided Soret effects are taken into account in one-dimensional calculations. The addition of exhaust gas to the unburned mixture is found to enhance thermodiffusive instability; the primary mechanism for this was shown to be the highly-efficient third-body nature of water, with the reduction of adiabatic flame temperature a second-order effect. Again, the existing mean local flame speed model proved sufficient. Finally, blending with methane was found to reduce the thermodiffusive response of the flame, more so than the existing model suggests, despite adjustment of the fuel Lewis number; an adapted model is presented to account for this.

08 HYDROGEN↗
DOE OSTI2022

DNS of Hydrodynamic Instabilities of Laminar H2/O2/N2 Flames at Elevated Pressure

The atypical combustion properties of hydrogen have long provided an interest for hydrogen-enriched combustion, emphasized in recent years by increasingly stringent emission regulations. Significant work has been focused on the small hydrocarbon(C1-C3)/hydrogen blends, but much less is known about the effect of hydrogen on heavier hydrocarbon combustion, of interest for the aviation and automotive industry. In this work, we perform direct numerical simulations (DNS) of spherically expanding laminar n-dodecane/H2 flames in a constant-volume vessel at elevated pressure and a range of hydrogen seeding levels. A low Mach number model is used to represent the gas and flame dynamics allowing for a temporally varying, spatially homogeneous pressure field, while also enabling numerical evolution of the system numerically at time step sizes governed by the advective CFL limit rather than acoustic processes. We use an adaptive mesh refinement (AMR) approach to tackle the large separation of scales associated with high pressure premixed flame surfaces propagating in a laboratory-scale closed domain. We incorporate detailed chemistry and transport models for the reacting flow and focus the analysis on the effects of the pressure rise on the flame propagation characteristics and morphology as the hydrogen content is increased. The presence of fast diffusive H2 and the pressure rise results in dramatic thinning of the flame and the potential onset of hydrodyanmic and theromdiffusive instabilities. We assess the potential role of these instabilities on the ability to accurately measure laminar burning speed experimentally based on the mean flame surface propagation speed.

high pressure↗
DOE OSTI2021

Data reduction considerations for spherical R-32(CH 2 F 2 )-air flame experiments

The burning velocities of mixtures of refrigerant R-32 (CH 2 F 2 ) with air over a range of equivalence ratios are studied via shadowgraph images of spherically expanding flames (SEFs) in a large, optically accessible spherical chamber at constant pressure. Numerical simulations of the 1-D, unsteady, spherical flames incorporating an optically thin radiation model and detailed kinetics accurately predict experimental results for a range of equivalence ratios. For these low burning velocity flames, the effects of stretch and radiation occur simultaneously and make extraction of the unstretched burning velocity from the experimental data difficult. Different data reduction approaches are shown to have large effects on the burning velocities inferred from the experiments and simulations. A new flame radius tracking approach for the experimental images is shown to provide improved agreement of the burned gas velocity variation with stretch predicted by the simulations and helps to compensate for mild flame distortion due to buoyancy.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2021

Adaptive mesh based combustion simulations of direct fuel injection effects in a supersonic cavity flame-holder

Here, we present high-fidelity reacting simulations of a supersonic cavity flame-holder configuration. The focus of this work is on flame stabilization brought about by varying the location of fuel injection in a cavity stabilized supersonic flow of air. Central to our approach is a compressible multi-species reacting flow solver that uses adaptive-mesh-refinement (AMR), enabling the resolution of flame, shock-waves, boundary-layers, and small-scale structures in the computational domain. Our analysis indicates that fuel injection closer to the ramp at the aft end of the cavity allows for greater mixing and lower peak temperatures compared to fuel injection upstream that is closer to the backward facing step of the cavity. This difference is mainly due to greater turbulent fluctuations generated from the shear-layer towards the cavity ramp, thereby enhancing the mixing of fuel and air. A low frequency oscillatory behaviour in heat-release and pressure was also observed for the upstream injection case while a much higher-frequency phenomena was observed in the near-ramp injection case. By identifying the important physical determinants of the combustion processes, this study illustrates a promising pathway to design and optimize direct fuel injection strategies in supersonic cavity flame-holders that can improve flame stability, combustion efficiency, and reduce emissions.

42 ENGINEERING↗
DOE OSTI2021

Computational fluid dynamics modeling and analysis of silica nanoparticle synthesis in a flame spray pyrolysis reactor

Flame Spray Pyrolysis (FSP) is a method for large-scale production of nanoparticles and nanoscale powders employed in a wide range of industrial applications. Particle size and morphology are complex functions of the physicochemical phenomena occurring in the FSP reactor. An extensive study of FSP-related phenomena can be utilized to develop effective strategies for achieving desired particle size/morphology and scaling up the overall yield of an FSP system. In this work, a computational fluid dynamics (CFD) model of an FSP reactor is developed to simulate the coupling of key phenomena involved in the particle synthesis process: liquid spray breakup and evaporation, mixing, combustion, and particle formation/growth of silica nanoparticles. Herein, the particle sizes and their distributions from the CFD simulations are validated against experimental data. Subsequently, the simulations are utilized to investigate the impact of process parameters on the resultant flame dynamics and particle growth. Firstly, the CFD results show that the particle sizes are strongly correlated with the precursor concentration in the solvent. At lower precursor concentrations, the spread of the distribution is relatively insensitive to the value of the concentration. At higher concentrations, the spread is higher as the collision probability between particles is higher. Secondly, increasing the pilot flow rate increases the length of the pilot flames impacting the local ignition location of the spray flame. Lastly, it is shown that the dispersion gas flow rate strongly influences the spray flame shape. This shape can be used for control of particle growth as it helps determine the regions of high temperature and the residence time of the particles in the high temperature region enabling the design and process optimization of the FSP reactor.

42 ENGINEERING↗
DOE OSTI2024

Effects of radiative heat loss on extinction limits of counterflow premixed ammonia-air flames

The effect of radiative heat loss on counterflow premixed ammonia-air flames has been investigated as a function of equivalence ratio and system pressure. Non-adiabatic counterflow premixed flame simulations incorporating detailed chemistry, transport, and radiative heat transfer in the optically thin limit have been employed to elucidate important underlying physics and extinction characteristics. Similar to methane-air flame systems, non-adiabatic counterflow premixed computations show that the combined effects of positive flame stretch, sub-unity Lewis number, and radiative heat loss lead to the extension of the lean flammability limit for ammonia-air flames, revealing a C-shaped curve near the lean flammability limit that exhibits both radiation-induced and stretch-induced extinction states. Here, the computations compare favorably with the experimentally determined extinction stretch rate values for the stretch-induced extinction states over a wide range of equivalence ratios at different pressures up to 5 atm. A novel feature sensitivity analysis has also been developed to highlight important sensitive reactions for the stretch- and radiation-induced extinction states. Furthermore, the controlling chemistry at the dual-extinction states and at varying pressures are compared and discussed.

10 SYNTHETIC FUELS↗
DOE OSTI2025

Application of soot carbonization kinetics to deduce meaningful soot formation rates in premixed flat flames

Soot formation rates measured in fuel-rich premixed flat flames are frequently used to calibrate or validate chemical kinetic models of soot formation. Unfortunately, these flames feature an extended region of soot precursor particle inception and carbonization that complicates interpretation of soot measurements and leads to a fundamental inconsistency in the nature of the soot material that is modeled versus what is being measured when using non-intrusive, optical techniques. In the work presented here, previously reported data on two canonical sooting ethylene-air premixed flames at 1 atm pressure are interpreted via a new analysis approach that combines soot optical dispersion coefficient measurements with soot carbonization kinetics. This analytical approach explicitly accounts for the production of poorly ordered soot precursor particle mass and its carbonization over time in the flames, providing a clear distinction between the formation rate of precursor particles and their transformation into ordered, solid soot particulate mass. In particular, the results of the analysis show that the precursor particles form much earlier in the flame than the majority of the carbonized soot and their formation rate is two to three times faster than that of ordered soot. The results also show that particle agglomeration begins when the particles are at an intermediate state of carbonization. In conclusion, these results offer a valuable new interpretation of these important datasets and should lead to substantial improvements in the development and calibration of quantitative soot models.

Soot formation↗
DOE OSTI2025

Characterization of Flashback and Flame-Holding in a Jet-in-Crossflow Mixing Configuration with Methane-Hydrogen Fuel Blends

An approach that combines experimental and numerical analyses has been implemented to characterize the fundamentals of flashback events and flame-holding phenomena during high-hydrogen combustion in a jet-in-crossflow (JICF) configuration. Such flame dynamics are visualized experimentally using nanosecond (ns)-based hydroxyl planar laser-induced fluorescence (OH-PLIF) and chemiluminescence diagnostics techniques. The JICF burner has an optically accessible pre-mixing tube allowing the optical diagnostics. The testing was conducted for varied pre-mixer velocities (V) and equivalence ratio (ϕ) for 90%-100% (H2, by mole) H2/CH4 reactant mixtures at atmospheric temperature and pressure conditions. Two distinct flashback events were identified – conventional rich flashback and lean flashback, recorded while increasing ϕ and decreasing ϕ, respectively. The cause of lean flashback was attributed to the lower momentum flux ratio which bends the jet sharply, closer toward the injection plane. The mean OH-PLIF images characterized the flame-holding behavior where the flame was found to be stabilized on the leeward side only or on both windward and leeward sides as a lifted flame near the fuel port. A Large Eddy Simulation (LES) with detailed chemistry combustion modeling approach was implemented along an OH* sub-mechanism, and it showed qualitative agreement with the integrated line-of-sight chemiluminescence results as well as the planar OH-PLIF measurements.

flame holding↗
DOE OSTI2025

Characterization of Flashback and Flame-Holding in a Jet-In-Crossflow Mixing Configuration with Methane-Hydrogen Fuel Blends

An approach that combines experimental and numerical analyses has been implemented to characterize the fundamentals of flashback events and flame-holding phenomena during high-hydrogen combustion in a jet-in-crossflow (JICF) configuration. Such flame dynamics are visualized experimentally using nanosecond (ns)-based hydroxyl planar laser-induced fluorescence (OH-PLIF) and chemiluminescence (CL) diagnostics techniques. The JICF burner has an optically accessible pre-mixing tube allowing the optical diagnostics. The testing was conducted for varied pre-mixer velocities (V) and equivalence ratio (ϕ) for 90%-100% (H2, by mole) H2/CH4 reactant mixtures at atmospheric temperature and pressure conditions. Two distinct flashbacks were identified – conventional rich flashback and lean flashback, recorded while increasing ϕ and decreasing ϕ, respectively. The cause of lean flashback was attributed to lower flux ratio which bends the jet sharply, closer toward the injection plane. The flashback was found to occur along the boundary layer, assisted by the inner wall of the pre-mixer tube. The mean OH-PLIF images characterized the flame-holding behavior where the flame was found to be stabilized on the leeward side only or on both windward and leeward sides as a lifted flame near the fuel port.

flame holding↗
DOE OSTI2024

Computational analysis of flame initiation, quenching, and re-ignition in a prechamber natural gas engine under varying EGR-dilution levels

The on-road natural-gas (NG) fueled transportation relies on stoichiometric spark-ignition engines for the advantages of simple after-treatment system despite the efficiency penalty relative to lean-burn combustion strategies. Exhaust gas recirculation (EGR) has the potential to reduce this efficiency gap at low to moderate loads without the need for complex lean-exhaust aftertreatment systems. However, EGR dilution leads to reduced combustion stability and increased cycle-to-cycle variability. A promising technology that has the potential to achieve reliable operation under diluted conditions is the prechamber ignition (or turbulent jet ignition) which uses chemically active turbulent jets generated from combustion inside a prechamber to initiate, stabilize and accelerate combustion of the mixture inside the main chamber. The present work focusses on developing a RANS-based CFD approach to accurately reproduce in-cylinder phenomena in a stoichiometric NG prechamber-assisted heavy-duty engine without relying on complex combustion models that account for turbulence-chemistry interactions. This is necessary because reactive prechamber jets at high EGR dilution tend to extinguish while emerging into the main chamber, which is followed by a phase of re-ignition — a phenomenon that conventional G-equation or well-stirred reactor combustion models cannot reproduce. With addition of a damping multiplier to the well-stirred reactor model, the predictions are seen to show good agreement with experimental pressure evolution and combustion images acquired from a single cylinder Cummins N-14 optical diesel engine retrofitted with a prechamber ignition system. Model predictions of local heat release in the flame and temperature evolution inside the flame are used to investigate combustion dynamics in the prechamber and the main chamber. It is seen that the well-stirred reactor model with the inclusion of damping is able to reproduce the temporary reduction in heat release within the flame, which can be considered equivalent to quenching of jets, and the subsequent re-ignition of the flame inside the main chamber. The delay between quenching and re-ignition depends on the amount of dilution, as explained by an illustration of flame evolution in a Borghi diagram.

Prechamber ignition↗
DOE OSTI2020

Effect of ammonia addition on suppressing soot formation in methane co-flow diffusion flames

Due to issues surrounding carbon dioxide emissions from carbon-containing fuels, there is growing interest in ammonia (NH 3 ) as an alternative combustion fuel. One attractive method of burning NH 3 is to co-fire it with hydrocarbons, such as natural gas, and in this case soot formation is possible. To begin understanding the influence of NH 3 on soot formation when co-fired with hydrocarbons, soot volume fractions and mole fractions of gas-phase species were computationally and experimentally interrogated for CH 4 flames with up to 40% NH 3 by volumetric fuel fraction. Mole fractions of gas-phase species, including C 2 H 2 and C 6 H 6 , were measured with on-line electron impact mass spectrometry, and soot volume fractions were obtained via color-ratio pyrometry. The simulations employed a detailed chemical mechanism developed for capturing nitrogen interactions with hydrocarbons during combustion. The results are compared to findings in N 2 -CH 4 flames, in order to separate thermal and dilution effects from the chemical influence of NH 3 on soot formation. Experimentally, C 2 H 2 concentrations were found to decrease slightly for the NH 3 -CH 4 flames relative to N 2 -CH 4 flames, and a stronger suppression of C 6 H 6 was found for NH 3 relative to N 2 additions. The measured results show a strong suppression of soot with the addition of NH 3 , with soot concentrations reduced by over a factor of 10 with addition of up to 20% or more NH 3 by mole fraction. The model satisfactorily captured relative differences in maximum centerline C 2 H 2 , C 6 H 6 , and soot concentrations with addition of N 2 , but was unable to match measured differences in NH 3 -CH 4 flames. Furthermore, these results highlight the need for an improved understanding of fuel-nitrogen interactions with higher hydrocarbons to enable accurate models for predicting particulate emissions from NH 3 /hydrocarbon combustion.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗