Experimental study on co-firing characteristics of ammonia with pulverized coal in a staged combustion drop tube furnace

Utilizing ammonia as a co-firing fuel to replace amounts of fossil fuel seems a feasible solution to reduce carbon emissions in existing pulverized coal-fired power plants. However, there are some problems needed to be considered when treating ammonia as a fuel, such as low flame stability, low combustion efficiency, and high NO_x emission. In this study, the co-firing characteristics of ammonia with pulverized coal are studied in a drop tube furnace with staged combustion strategy. Results showed that staged combustion would play a key role in reducing NO_x emissions by reducing the production of char-NO_x and fuel(NH₃)-NO_x simultaneously. Furthermore, the effects of different ammonia co-firing methods on the flue gas properties and unburned carbon contents were compared to achieve both efficient combustion and low NO_x emission. It was found that when ammonia was injected into 300 mm downstream under the condition of 20% co-firing, lower NO_x emission and unburnt carbon content than those of pure coal combustion can be achieved. This is probably caused by a combined effect of a high local equivalence ratio of NH₃/air and the prominent denitration effect of NH₃ in the vicinity of the NH₃ downstream injection location. In addition, NO_x emissions can be kept at approximately the same level as coal combustion when the co-firing ratio is below 30%. And the influence of reaction temperature on NO_x emissions is closely associated with the denitration efficiency of the NH₃. Almost no ammonia slip has been detected for any injection methods and co-firing ratio in the studied conditions. Thus, it can be confirmed that ammonia can be used as an alternative fuel to realize CO₂ reduction without extensive retrofitting works. And the NO_x emission can be reduced by producing a locally NH₃ flame zone with a high equivalence ratio as well as ensuring adequate residence time.     

Conditional moment closure and transient flamelet modelling for detailed structure and NO x formation characteristics of turbulent nonpremixed jet and recirculating flames

This study has been mainly motivated to assess computationally and theoretically the conditional moment closure (CMC) model and the transient flamelet model for the simulation of turbulent nonpremixed flames. These two turbulent combustion models are implemented into the unstructured grid finite volume method that efficiently handles physically and geometrically complex turbulent reacting flows. Moreover, the parallel algorithm has been implemented to improve computational efficiency as well as to reduce the memory load of the CMC procedure. Example cases include two turbulent CO/H₂/N₂ jet flames having different flow timescales and the turbulent nonpremixed H₂/CO flame stabilized on an axisymmetric bluff-body burner. The Lagrangian flamelet model and the simplified CMC formulation are applied to the strongly parabolic jet flame calculation. On the other hand, the Eulerian particle flamelet model and full conservative CMC formulation are employed for the bluff-body flame with flow recirculation. Based on the numerical results, a detailed discussion is given for the comparative performances of the two combustion models in terms of the flame structure and NO _x formation characteristics.     

Stability and characteristics of NH3/CH4/air flames in a combustor fired by a double swirl stabilized burner

Compared to hydrocarbons, ammonia's low reactivity and higher NO_x emissions limit its practical application. Consequently, its implementation in combustion systems requires a different combustor geometry, by adapting existing systems or developing new ones. This study investigates the flame stability, NO emissions, and flame structure of NH₃/CH₄/air premixed flames in a novel combustor comprising a double swirl burner. A lean premixed CH₄/air mixture of equivalence ratio, Φ_out, was supplied to the outer swirl, while a NH₃/CH₄/Air mixture fed the inner swirl. The molar fraction of NH₃ in the inner fuel blend, x_NH3, was varied from 0 (pure CH₄) to 1 (pure NH₃) over far-lean to far-rich inner stream equivalence ratio, Φ_in. This new burner's stability map was established in terms of Φ_in versus x_NH3 for different Φ_out. Then, NO emissions were measured versus Φ_in for various x_NH3 and Φ_out. Finally, based on the NO emissions, eight flames were down-selected for in-flame measurements, which included temperature and OH-PLIF. The stability measurements revealed that increasing x_NH3 modifies the stability map by increasing the lean blowout limits and narrowing the flashback region. At Φ_out ≥ 0.6, a stable flame was achieved for a pure inner NH₃/air mixture. Low NO emissions were achieved in this burner configuration at x_NH3=1 by either enriching or far-leaning Φ_in. Enriching Φ_in led to a steep decrease in NO concentrations. However, to achieve low NO concentrations, precise control of Φ_out was needed. At Φ_in=1.4, 220 ppm NO at Φ_out=0.7 versus 690 at Φ_out=0.6 was measured. Moreover, substantially enriching Φ_in>1.2 led to a slight decrease in measured NO. Generally, the OH-PLIF images revealed a conical OH-layer at the burner exit. Certain flame conditions created OH-pockets inside the conical structure or formed a V-shaped OH-layer far downstream. This change in flame structure was found to impact NO emissions strongly.     

Measurements and modelling of oxy-fuel coal combustion

Oxy-fuel combustion is one of the most promising technologies to isolate efficiently and economically CO₂ emissions in coal combustion for the ready carbon sequestration. The high proportions of both H₂O and CO₂ in the furnace have complex impacts on flame characteristics (ignition, burnout, and heat transfer), pollutant emissions (NO_x, SO_x, and particulate matter), and operational concerns (ash deposition, fouling/slagging). In contrast to the existing literature, this review focuses on fundamental studies on both diagnostics and modelling aspects of bench- or lab-scale oxy-fuel combustion and, particularly, gives attention to the correlations among combustion characteristics, pollutant formation, and operational ash concerns. First, the influences of temperature and species concentrations (e.g., O₂, H₂O) on coal ignition, volatile combustion and char burning processes, for air- and oxy-firing, are comparatively evaluated and modelled, on the basis of data from optically-accessible set-ups including flat-flame burner, drop-tube furnace, and down-fired furnace. Then, the correlations of combustion-generated particulate/NO_x emissions with changes of combustion characteristics in both air and oxy-fuel firing modes are summarized. Additionally, ash deposition propensity, as well as its relation to the formation of fine particulates (i.e. PM_0.2, PM₁ and PM₁₀), for both modes are overviewed. Finally, future research topics are discussed. Fundamental oxy-fuel combustion research may provide an ideal alternative for validating CFD simulations toward industrial applications.     

Control of oscillating combustion and noise based on local flame structure

To control combustion oscillations, the characteristics of an oscillating swirl injection premixed flame have been investigated, and control of oscillating combustion and noise based on local flame structure has been conducted. The r.m.s. value of pressure fluctuations and noise level show significantly large values between = 0.8 and 1.1. The beating of pressure fluctuations is observed for the large oscillating flame conditions in this combustor. Relationship between beating of pressure fluctuations and local flame structure was observed by the simultaneous measurement of CH/OH planar laser induced fluorescence and pressure fluctuations. The local flame structure and beating of pressure fluctuations are related and the most complicated flame is formed in the middle pressure fluctuating region of beating. The beating of pressure fluctuations, which plays important roles in noise generation and nitric oxide emission in this combustor, could be controlled by injecting secondary fuel into the recirculating region of oscillating flames. Injecting secondary fuel prevented lean blowout, and low NO_x combustion was also achieved even for the case of pure methane injection as a secondary fuel. By injecting secondary fuel into the recirculating region near the swirl injector, the flame lifted from the swirl injector and its reaction region became uniform and widespread, hence resulting in low nitric oxide emission. Secondary mixture injection, fuel diluted with air, is not effective for control of combustion oscillations suppression and lean blowout prevention.     

Hidden interactions—Trace species governing combustion and emissions

Concern about pollutant formation and emissions continues to be a driving force for research in combustion chemistry. Important pollutants include nitrogen oxides (NO_x), sulfur oxides (SO_x), chlorine species, unburned or partly burned fuel components (e.g., UHC, aldehydes, CO), aromatic and polycyclic aromatic compounds, and aerosols (soot, alkaline aerosols). In this review, it is discussed how N, S, Cl, and K/Na species, typically present in small quantities, may affect the overall combustion process, as well as the formation or transformation of each other. Of special interest is their ability to sensitize or inhibit oxidation of fuel and CO, depending on the reaction conditions; the impact of S, Cl and K/Na on formation of NO_x, PAH, and soot; and the interaction of sulfur, chlorine and alkali species, which may have significant implications for emissions of SO₂, HCl, and aerosols.     

Modelling and speciation of nitrogen oxides in engines

The present study extends the Nitrogen Oxide Relaxation Approach (NORA [Vervisch et al., Combust. Flame 158 (2011) 1480–1490]) for NO_x modelling in engines by introducing alternative chemical routes to the thermal pathway as well as a speciation of nitrogen oxides into nitrogen monoxide (NO), nitrogen dioxide (NO₂) and nitrous oxide (N₂O). Perturbations of equilibrium state are considered to identify nitrogen oxide reactivity in various mixture and thermodynamic conditions. A common Intrinsic Low-Dimensional Manifold (ILDM) is identified for NO and NO₂, while nitrous oxides appear to stay in near-equilibrium state for any in-cylinder conditions. The relaxations back towards the equilibrium state after the perturbations are analysed to extract the characteristic times of relaxation, an image of the species reactivity. Tabulation of equilibrium mass fractions and characteristic relaxation times as a function of mixture and thermodynamic conditions allows nitrogen oxide modelling to be performed for internal combustion engines at very low computational cost through idealised ILDMs that are independent of the combustion ones. Results show the accuracy of the modelling approach for nitrogen oxide emissions of a Diesel engine at part and full load.     

Experimental and modeling study on the ignition delay times of ammonia/methane mixtures at high dilution and high temperatures

Ammonia is a promising alternative clean fuel due to its carbon-free character and high hydrogen density. However, the low reactivity of ammonia and the potential high NO_x emissions hinder its applications. Blending methane into ammonia can effectively improve the reactivity of pure NH₃. In addition, lean combustion, as a high-efficiency and low-pollution combustion technology, is an effective measure to control the potential increase in NO_x emissions. In the present work, the ignition delay times (IDTs) of NH₃/CH₄ mixtures highly diluted in Ar (98%) with CH₄ mole fractions of 0%, 10%, and 50% were measured in a shock tube at an equivalence ratio of 0.5, pressures of 1.75 and 10 bar and a temperature range of 1421 K - 2149 K. A newly comprehensive kinetic model (named as HUST-NH₃ model) for the NH₃/CH₄ mixtures oxidation was developed based on our previous work. Four kinetic models, the HUST-NH₃ model, Glarborg model [19], Okafor model [7], and CEU model [10], were evaluated against the ignition delay times, laminar flame speeds, and species profiles of pure ammonia and ammonia/methane mixtures from the present work and literature. The simulation results indicated that the HUST-NH₃ model shows the best performance among the above four models. Kinetic analysis results indicated that the absence of NH₃ + M = NH₂ + H + M (R819) and N₂H₂ + M = H + NNH + M (R902) in the CEU model and Okafor model cause the deviations between the experimental and simulation results. The overestimation of the rate constants of NH₂ + NO = NNH + OH (R838) in the Glarborg model is the main reason for the overprediction of the NH₃ laminar flame speeds.     

A novel combustion system for liquid fuel evaporating and burning

To utilize sustainable biofuel, the current study proposes a novel combustion technique that directly burns liquid ethanol without a spray system. Two swirling air flows are induced by tangentially injected the gas from two concentric tubes at different stages. The liquid ethanol is fed by a liquid tank at the center. At the beginning methane flame assists in preheating the system to vaporize liquid ethanol and ignite the vapor. Thereafter methane is switched off, and liquid ethanol can be continuously vaporized through self-burning released heat. The heat and mass transfer processes are examined to illustrate such self-sustained burning–heating–evaporating system. The ethanol flow rate is gradually increased to provide different heat output. The flame structures, temperature distributions and pollutant emissions are carefully examined. The results show that the ethanol can be steadily burned to provide heat output between 0.7 and 2.5?kW. Generally a blue flame is obtained, and the NO_x and CO concentrations are ultralow. By increasing ethanol flow rate to exceed 8?mL/min, an unsteady, sooting flame is observed owing to incomplete evaporation and poor mixing. A parametric study is conducted to evaluate the influences of liquid tank position, flow rate and tip structure on the combustion characteristics. Additionally, an optimal operation condition is proposed. The current study provides a promising method to burn low-boiling liquid fuel in a clean, efficient and compact way.     

Validation of flow simulation and gas combustion sub-models for the CFD-based prediction of NOx formation in biomass grate furnaces

While reasonably accurate in simulating gas phase combustion in biomass grate furnaces, CFD tools based on simple turbulence–chemistry interaction models and global reaction mechanisms have been shown to lack in reliability regarding the prediction of NO_x formation. Coupling detailed NO_x reaction kinetics with advanced turbulence–chemistry interaction models is a promising alternative, yet computationally inefficient for engineering purposes. In the present work, a model is proposed to overcome these difficulties. The model is based on the Realizable k–? model for turbulence, Eddy Dissipation Concept for turbulence–chemistry interaction and the HK97 reaction mechanism. The assessment of the sub-models in terms of accuracy and computational effort was carried out on three laboratory-scale turbulent jet flames in comparison with the experimental data. Without taking NO_x formation into account, the accuracy of turbulence modelling and turbulence–chemistry interaction modelling was systematically examined on Sandia Flame D and Sandia CO/H₂/N₂ Flame B to support the choice of the associated models. As revealed by the Large Eddy Simulations of the former flame, the shortcomings of turbulence modelling by the Reynolds averaged Navier–Stokes (RANS) approach considerably influence the prediction of the mixing-dominated combustion process. This reduced the sensitivity of the RANS results to the variations of turbulence–chemistry interaction models and combustion kinetics. Issues related to the NO_x formation with a focus on fuel bound nitrogen sources were investigated on a NH₃-doped syngas flame. The experimentally observed trend in NO_x yield from NH₃ was correctly reproduced by HK97, whereas the replacement of its combustion subset by that of a detailed reaction scheme led to a more accurate agreement, but at increased computational costs. Moreover, based on results of simulations with HK97, the main features of the local course of the NO_x formation processes were identified by a detailed analysis of the interactions between the nitrogen chemistry and the underlying flow field.     

Effects of CO2 dilution on partially premixed CH4-air flames in swirl and bluff body stabilized combustor

The effect of CO₂ dilution on the flame characteristics and pollutant emission of a partially premixed CH₄-air flame in a confined bluff body and swirl influenced flowfield is investigated using optical and laser diagnostic methods. The non-premixed burner produced a converging-diverging flowfield at the burner exit and a lifted flame is produced at all test cases, with an upstream movement of the flame with decreasing global equivalence ratios (?_g). Based on variations in ?_g, two flame stabilization modes – bluff body influenced and swirl stabilized – with a transition mode in-between is observed for the cases with (flame FB) and without dilution (flame FM). The characteristics of the heat release zone are influenced by dilution, with the FB flames being longer and also less intense when compared to FM flames. Pollutant measurement at 30 mm downstream from the combustor exit highlighted the ultra-low NO_x capability of the IIST-GS2 burner. CO₂ dilution leads to a reduction in NO_x emission due to both thermal and chemical effects. For ?_g ≥ 0.7 extreme low levels of CO and unburned hydrocarbons (UHC) are observed for both cases. For ?_g ≤ 0.6 the dramatic increase of both CO and UHC maybe due to the lower flame temperatures and shorter flame zone residence times, respectively.     

Towards the development of an efficient low-NOx ammonia combustor for a micro gas turbine

Recent studies have demonstrated stable generation of power from pure ammonia combustion in a micro gas turbine (MGT) with a high combustion efficiency, thus overcoming some of the challenges that discouraged such applications of ammonia in the past. However, achievement of low NOx emission from ammonia combustors remains an important challenge. In this study, combustion techniques and combustor design for efficient combustion and low NOx emission from an ammonia MGT swirl combustor are proposed. The effects of fuel injection angle, combustor inlet temperature, equivalence ratio, and ambient pressure on flame stabilization and emissions were investigated in a laboratory high pressure combustion chamber. An FTIR gas analyser was employed in analysing the exhaust gases. Numerical modeling using OpenFOAM was done to better understand the dependence of NO emissions on the equivalence ratio. The result show that inclined fuel injection as opposed to vertical injection along the combustor central axis resulted to improved flame stability, and lower NH₃ and NOx emissions. Numerical and experimental results showed that a control of the equivalence ratio upstream of the combustor is critical for low NOx emission in a rich-lean ammonia combustor. NO emission had a minimum value at an upstream equivalence ratio of 1.10 in the experiments. Furthermore, NO emission was found to decrease with ambient pressure, especially for premixed combustion. For the rich-lean combustion strategy employed in this study, lower NOx emission was recorded in premixed combustion than in non-premixed combustion indicating the importance of mixture uniformity for low NOx emission from ammonia combustion. A prototype liner developed to enhance the control and uniformity of the equivalence ratio upstream of the combustor further improved ammonia combustion. With the proposed liner design, NOx emission of 42?ppmv and ammonia combustion efficiency of 99.5% were achieved at 0.3?MPa for fuel input power of 31.44?kW.     

Effects of residence time on the NOx emissions of premixed ammonia-methane-air swirling flames at elevated pressure

In this study, a bespoke single-stage swirl burner was used to experimentally investigate the effects of residence time on emissions from premixed ammonia-methane-air flames. The residence time was altered in two ways: by modifying the combustion chamber's length or by modifying the swirl number. Exhaust emissions of O₂, CO₂, CO, NO, NO₂, and N₂O were measured at an absolute pressure of 2 bar for equivalence ratios between 0.50 and 0.95 and ammonia fractions in the fuel blend between 0 and 100%. Spatial distributions of NO and OH radicals were also imaged using PLIF inside the combustion chamber at different heights above the nozzle. Data shows that increasing residence time can further advance chemical reactions, as evidenced by a reduction in O₂ concentration in the exhaust. Increasing the swirl number reduces emissions of NO, NO₂, and N₂O more efficiently than tripling the chamber's length. However, a decrease in the combustion efficiency may be responsible for a fraction of this NOx reduction when the swirl number is increased for some equivalence ratios. NO emissions are not modified when the chamber's length is increased, which is consistent with the fact that the NO-LIF signal does not decay when the distance from the nozzle increases. Therefore, NO formation is somehow restricted to within the main reaction zone of the swirling flame, that is, the zone whose height does not exceed 60 mm for this burner. Conversely, tripling the chamber's length reduces the concentrations of NO₂ and N₂O. This reduction is not reflected in a measurable increase in NO concentration because NO is present in much larger quantities than NO₂ and N₂O in flames examined here. Consistent with the fact that OH promotes NO formation via fuel-NOx pathways, a positive correlation is found between NO- and OH-LIF intensities.     

In situ sensor for cycle-resolved measurement of temperature and mole fractions in IC engine exhaust gases

We present a multi-species mole fraction and temperature sensor for in situ exhaust gas diagnostic of internal combustion (IC) engines. The sensor is based on Tunable Diode Laser Absorption Spectroscopy (TDLAS) and incorporates four optical channels - two miniature White cells and two double-traversal cells - with base lengths of 6?cm. It has been demonstrated at a hot air test stand and in the exhaust manifold of a single-cylinder research engine, with measured temperatures of up to 1000?K. Stable operation was achieved with absorption lengths of up to 192?cm (test stand) and 97?cm (engine). Employing time-division multiplexed detection, six species were measured simultaneously in the engine exhaust, at wavelengths ranging from 1.4?µm to 5.2 µm: water vapor (H₂O), carbon dioxide (CO₂), carbon monoxide (CO), methane (CH₄), nitrogen dioxide (NO₂) and nitric oxide (NO). The effective measurement rate was as high as 1?kHz, and cycle-to-cycle variations were clearly detected. We show the correlation of the air-fuel equivalence ratio with the spectroscopically measured mole fraction of each species. At a cycle-resolved rate, detection limits for the legally regulated species NO and NO₂ were 1?ppm and 4?ppm, respectively. The sensor is intended to help improve the understanding of IC engine emission behavior during fast transients.     

The effect of hydrogen addition on flammability limit and NOx emission in ultra-lean counterflow CH4/air premixed flames

The effect of hydrogen addition to ultra lean counterflow CH₄/air premixed flames on the extinction limits and the characteristics of NO_x emission was investigated by numerical simulation. Detailed chemistry and complex thermal and transport properties were employed. The results show that the addition of hydrogen can significantly enlarge the flammable region and extend the flammability limit to lower equivalence ratios. If the equivalence ratio is kept constant, the addition of hydrogen increases the emission of NO in a flame due to the enhancement in the rate of the NNH or N₂O intermediate NO formation routes. The addition of hydrogen causes a monotonic decrease in the formation of NO₂ and N₂O, except flames near the extinction limits, where the emission of NO₂ and N₂O first increases, and then decreases with the increase in the fraction of hydrogen. Overall, hydrogen enrichment technology allows stable combustion under ultra lean conditions, resulting in significant CO₂ and NO emission reduction.     

MILD Combustion of Methanol,Ethanol and 1-Butanol binary blends with Ammonia

In the present energy transition scenario, ammonia is considered a valuable candidate as energy-dense carrier with neutral or even negative carbon balance. However, the potential high NO_x emissions and the reduced oxidation process stability, at least when conventional combustion plants are used, can burden its wide utilization on large scales. In this context, MILD Combustion, due to its inherent characteristics, may greatly improve combustion stability and keep the NO_x emissions at an acceptable level. On the other hand, the addition of low or no-carbon fuels from biomasses and wastes, more reactive than ammonia, may be beneficial in further improving its combustion performance and the global sustainability of the energy supply chain.In this respect, the present work analyzes the sustainability and combustion performance of binary mixtures of ammonia and low-molecular-weight alcohols in a cyclonic burner, where MILD conditions are attained by means of a strong internal recirculation, and compares them with those obtained with NH₃/methane blends. Results highlighted that NH₃/alcohols mixtures ensure a stable oxidation process in a wide range of operational parameters without compromising the system performance. Moreover, they showed a significant reduction of NO_x emissions for NH₃/alcohols mixtures, especially for fuel-lean conditions, when compared to NH₃/methane blends.Experimental data were also corroborated by chemical kinetic modeling results to provide some insights on the peculiar NO_x formation routes when blends of different nature are used, highlighting the interaction between carbon and nitrogen fuels kinetics.     

An experimental and numerical investigation of the catalytic-rich/gaseous-lean combustion of H2/CO/air mixtures at 8 bar

The catalytic-rich/gaseous-lean (R/L) combustion concept was investigated experimentally and numerically for syngas fuels with H₂:CO volumetric ratios 1:0, 4:1 and 1:2, catalytic-rich stoichiometries φ_rich = 2–10 (including operation without air), pressure of 8 bar and air preheat of 673 K. Experiments were performed in a subscale R/L burner with optical access to both catalytic-rich and gaseous-lean stages. OH-PLIF monitored the turbulent combustion in the gaseous-lean stage, OH*-chemiluminescence assessed the propensity for homogeneous ignition in the catalytic-rich stage, and exhaust gas analysis provided the NOx and CO emissions. Two-dimensional simulations were carried out for both stages, while a 1-D opposed-jet code modeled the NOx emissions. The exothermicity of the heterogeneous reactions promoted homogeneous ignition and flame anchoring in the upstream parts of the catalytic-rich stage and allowed for complete consumption of the deficient O₂ reactant, a process that could not be achieved by the catalytic pathway alone due to transport limitations. Homogeneous combustion in the catalytic-rich stage was beneficial for attaining the highest possible fuel pre-conversion. The catalyst not only initiated gaseous combustion but also mitigated potential NOx emissions from the catalytic-rich stage at the highest pre-conversions (lowest φ_rich) and highest CO-content mixtures. Two-sided diffusion flames were established in the gaseous-lean stage due to the recirculation of O₂-rich combustion products, which was advantageous for the burner compactness. It was shown that cardinal to the R/L concept was the fact that a decreasing φ_rich led to an increased heat transfer from the catalytic-rich stage to the bypass air, which reduced the enthalpy in the fuel stream of the gaseous-lean stage and thus lowered the peak flame temperatures (by 400 K for H₂:CO = 1:0). The reduction in flame temperatures with decreasing φ_rich led to a six-fold drop in NOx emissions, while CO emissions were less than 5 ppmv.     

Effects of radiation heat loss on laminar premixed ammonia/air flames

Ammonia (NH₃) direct combustion is attracting attention for energy utilization without CO₂ emissions, but fundamental knowledge related to ammonia combustion is still insufficient. This study was designed to examine effects of radiation heat loss on laminar ammonia/air premixed flames because of their very low flame speeds. After numerical simulations for 1-D planar flames with and without radiation heat loss modeled by the optically thin model were conducted, effects of radiation heat loss on flame speeds, flame structure and emissions were investigated. Simulations were also conducted for methane/air mixtures as a reference. Effects of radiation heat loss on flame speeds were strong only near the flammability limits for methane, but were strong over widely diverse equivalence ratios for ammonia. The lower radiative flame temperature suppressed the thermal decomposition of unburned ammonia to hydrogen (H₂) at rich conditions. The equivalence ratio for a low emission window of ammonia and nitric oxide (NO) in the radiative condition shifted to a lower value than that in the adiabatic condition.     

A high-temperature study of 2-pentanone oxidation: experiment and kinetic modeling

Small methyl ketones are known to have high octane numbers, impressive knock resistance, and show low emissions of soot, NO_x, and unburnt hydrocarbons. However, previous studies have focused on the analysis of smaller ketones and 3-pentanone, while the asymmetric 2-pentanone (methyl propyl ketone) has not gained much attention before. Considering ketones as possible fuels or additives, it is of particular importance to fully understand the combustion kinetics and the effect of the functional carbonyl group. Due to the higher energy density in a C₅-ketone compared to the potential biofuel 2-butanone, the flame structure and the mole fraction profiles of species formed in 2-pentanone combustion are of high interest, especially to evaluate harmful species formations. In this study, a laminar premixed low-pressure (p?=?40 mbar) fuel-rich (??=?1.6) flat flame of 2-pentanone has been analyzed by vacuum-ultraviolet photoionization molecular-beam mass-spectrometry (VUV-PI-MBMS) enabling isomer separation. Quantitative mole fraction profiles of 47 species were obtained and compared to a model consisting of an existing base mechanism and a newly developed high-temperature sub-mechanism for 2-pentanone. High-temperature reactions for 2-pentanone were adapted in analogy to 2-butanone and n-pentane, and the thermochemistry for 2-pentanone and the respective fuel radicals was derived by ab initio calculations. Good agreement was found between experiment and simulation for the first decomposition products, supporting the initial branching reactions of the 2-pentanone sub-mechanism. Also, species indicating low-temperature chemistry in the preheating zone of the flame have been observed. The present measurements of a 2-pentanone flame provide useful validation targets for further kinetic model development.