NOx Formation Research Articles

Efficient natural gas combustion and NOx reduction: A novel application of simultaneous over-fire air (OFA) and flue gas recirculation (FGR) in a 250 MW opposed firing steam power plant boiler

OFAGR, as a new controllable technology, combines over-fire air (OFA) and flue gas recirculation (FGR) systems for modifying combustion characteristics and enhancing boiler efficiency. It also reduces NOx generation considerably. The effects of OFA and FGR on the combustion are reported for coal-fired boilers, however, no reference was found for the application of OFAGR, especially in boilers with natural gas fuel so far. Furthermore, the method of adjusting the ratio of OFA and FGR in OFAGR nozzles to achieve the required combustion modification is not investigated and this fact should be even covered for different types of boilers. For analysis of complicated combustive mixed fuel (natural gas) and air in furnace, computational fluid dynamics (CFD) simulated the flow by the use of Eddy-Dissipation Concept (EDC) and developing reactions by Jones-Lindstedt mechanism. Simulation results are validated by the measured boiler operation data for a 250 MW steam power plant boiler. The staged combustion in each burner is modeled by considering three inlet air flows (primary, secondary, and tertiary) with swirl. The effects of different ratios of OFA and FGR streams on characteristics of combustion and NOx production are investigated. The combustion efficiency, temperature profile, distribution of species, and the transferred heat flux to water-walls are computed, and analyzed. Results showed injecting only OFA from OFAGR nozzles, reduced NOx generation up to 55.4 % but lowered the furnace efficiency from 95.3 % to 93.1 %. When the OFAGR stream contained 25 % FGR and 75 % OFA (case study 2), an ideal state existed for increasing the combustion efficiency from 95.3 % to 96.0 % and NOx reduction by 58 %. Increasing the share of FGR in the OFAGR stream by more than 25 % improved the NOx reduction but reduced the combustion efficiency from 95.3 % due to the drop in the usable absorption heat of the boiler. Calculations showed that the OFAGR injection stream containing 64.1 % OFA and 35.9 % FGR reduced NOx formation from 274 to 112 ppm without losing furnace efficiency.

Industrial equipment optimization for combustion performance enhancement: a real-world case study

To address the issue of high NOx emission from the combustion chamber, this work optimized the industrial machine structure to enhance the combustion performance. The analysis results indicated that the flue gas recirculation (FGR) could effectively reduce the combustion temperature and the distribution of high-temperature regions in the machine chamber, thereby suppressing NOx formation without affecting the gas velocity inside the chamber. Based on the simulation analysis, the FGR technology was applied to modifying the machine structure and evaluated the modification effect in real-world application. It is found that after adding FGR, the oxygen content at the furnace outlet decreased from 13.8% to 10.5%, the NOx emission from the furnace decreased from 80 mg/m3 to 18 mg/m3, and the natural gas consumption decreased by more than 17%. These results demonstrate a significant impact on energy saving and emission reduction after optimizing the machine structure, which can provide a reference basis for subsequent researchers in this field.

Study on Soot and NOx Formation Characteristics in Ammonia/Ethylene Laminar Co-Flow Diffusion Flame.

The formation of soot and NOx in ammonia/ethylene flames with varying ammonia ratios was investigated through experimental and numerical analysis. The spatial distribution of the soot volume fraction and NOx concentrations along the flame central line were measured, and the mechanism of soot and NOx formation during ammonia/ethylene co-combustion was analyzed using CHEMKIN 17.0. The experimental results indicated that the soot volume fraction decreases with an increase in ammonia ratio, with the soot peak concentration occurring in the upper region of the flame. The distribution of NOx is complex. In the initial part of the flame, a higher concentration of NOx is generated, and the lower the ammonia ratio, the higher the concentration of NOx. As the combustion process progresses, the concentration of NOx initially decreases and then subsequently increases rapidly, with higher ammonia ratios leading to higher concentrations of NOx. The addition of ammonia results in a decrease in CH3, C2H2, and C3H3, and an increase in CN concentration. This leads to a transformation of carbon atoms within the combustion system, reducing the available carbon for soot formation and suppressing its generation. A higher ammonia ratio increases the likelihood that NH3 will be oxidized to N2, as well as increasing the probability that any generated NO will undergo reduction to N2 through the action of the free radicals NH2 and NH.

Numerical study on the effects of adding NH3 into syngas/NH3 mixtures on combustion characteristics and NOx emissions in diluted hot co-flows

NH3 is a carbon-free fuel with good storage and transport characteristics. Applying Moderate or Intense Low-oxygen Dilution (MILD) combustion to NH3/syngas blended fuel is expected to achieve clean and low-carbon combustion. This work explores the impacts of changing the NH3/syngas ratio and O2 content in co-flow on the combustion characteristics and the NOx formation and transformation mechanisms. As the proportion of NH3 increases, the flame is gradually lifted, while the rise of H2 in syngas reduces the lifted height. As the O2 proportion is increased to 15%, almost the entire computational domain is transformed from MILD to high-temperature combustion when the ratio of NH3 to syngas is 3:7. NH that is derived from the decomposition of NH3 participates more actively in the consumption process of NO and N2O. N radicals are more likely to generate N2 when O2 content in hot co-flow increases.

Studies on NOx formation and reduction characteristics in high-ash, low-volatile coal combustion by mechanism experiments and industrial-scale trials

Mechanism experiments were performed to investigate NOx formation and reduction during the combustion of high-ash, low-volatile coal. Additionally, industrial-scale trials were conducted to study the effects of air-staging degree on the combustion and NOx emission characteristics of high-ash coal on a 350 MW supercritical down-fired boiler. The results showed that the total BET specific surface area, total pore volume and porosity values of high-ash coal (HAC) and ultra-high-ash coal (UHAC) were all larger than those of normal-ash coal (NAC), whereas NAC contained more N-5 and N-6 than HAC and UHAC. The carbon layer structure of HAC char was less ordered and the content of hydroxyl group was relatively high. The overall NO reduction ratio obtained using the HAC char was higher than the value for the UHAC char. However, in the high temperature range of 1300–1400 °C, NO reduction associated with UHAC char was accelerated because of catalysis by ash. On increasing the excess oxygen ratio λ from 1.0 to 1.2, the char-N conversion shown by the UHAC char slowly increased and remained the lowest among the three chars. When burning UHAC, as the ratio of secondary to tertiary air fluxes, Rst, was decreased from 1.56 to 0.57, heating of the fuel-rich coal/air flow slowed and pulverized coal combustion was inhibited. The situation associated with HAC was different. At the Rst of 1.11, the ignition distance of fuel-rich flow was the shortest at 1.50 m, and the overall temperature in the furnace was the highest. However the NOx emissions at the furnace exit were as high as 715 mg/m3 (6 % O2) in this condition. Decreasing Rst to 0.57 reduced this value to 634 mg/m3 (6 % O2) with carbon levels in the fly ash and slag of 5.17 % and 3.67 %, respectively. Air-staging combustion is evidently a reasonable approach to controlling NOx emissions when burning HAC. While for UHAC, it was necessary to appropriately reduce the air-staging degree to enhance combustion and maintain low NOx emissions.

Numerical modeling of a coal/ammonia Co-fired fluidized bed: Control and kinetics analysis of nitrogen oxides emissions

The potential increase in nitrogen oxide emissions in the coal/ammonia co-firing can hinder the large-scale utilization of ammonia to reduce carbon emissions. In this work, a fluidized bed simulation model was established to investigate the NOx and N2O behaviors in the process of coal/ammonia co-firing. The effects of several variables on nitrogen oxides emission characteristics were studied, including the ammonia ratio, temperature, excess air ratio, and air/ammonia distribution strategies. The findings indicate that NOx and N2O concentrations rise and then decline with the NH3 co-firing ratio (CR-NH3) increased, peaking at 10 % and 5 % CR-NH3. The formation of N2O is insensitive to the addition of ammonia, while NOx emissions vary dramatically with different ammonia ratios. Higher temperatures enhance the formation of NOx but inhibit the generation of N2O within 750 °C–950 °C. As the temperature rises, the primary decomposition path of N2O shifts from N2O→N2H2→NNH→N2 to N2O→NO2→NO→N2. The generations of NOx and N2O are both enhanced due to the weakness of the reduced atmosphere with the excess air ratio increased. When the primary air ratio is raised, N2O gradually takes over as the main source of nitrogen oxides instead of NOx. The specific primary air ratio in the fluidized bed should be considered in the priority treatment of NOx or N2O in the process of lowering nitrogen oxides emissions. Ammonia distribution strategies have opposite effects on NOx and N2O emissions. With more NH3 introduced as a secondary fuel, the dilute phase area can change from the main source of NO to the consumption area of NO. The present findings can help control the emissions of nitrogen oxides during coal/ammonia co-combustion in coal-fired circulating fluidized bed power plants.

Towards an efficient metal energy carrier for zero–emission heating and power: Iron powder combustion

In this study, the metal cyclonic combustor (MC2) was utilized to investigate the formation of nanoparticles (nPMs) and NOx during the combustion of iron powder under varying input conditions of equivalence ratio and oxygen concentration. Findings unveiled a consistent trend: both nanoparticle and NOx formations exhibit a similar response to changes in input conditions. Specifically, as the input equivalence ratio was increased or the oxygen concentration decreased, a simultaneous reduction in the formation of these pollutants was observed. This suggests a common influence of these factors on both nanoparticle and NOx formation. Additionally, the research highlighted a critical parameter in maintaining a self-sustainable stationary flame: ensuring that the iron particles remained relatively close together, with a maximum particle-to-particle distance of approximately 0.5 mm or a minimum total iron particle surface area of at least 0.02 mm2 per mm3 volume burner for oxidizer oxygen concentrations ranging from 13.5 % to 21 %. These findings provide valuable insights for optimizing the utilization of iron powder as a suitable option for burning in combustion processes and in the iron energy carrier cycle, enabling good energy conversion while minimizing environmental impacts. Novelty and Significance StatementThis study includes the first-ever measurements of nanoparticles and NOx formation during iron powder combustion at different input equivalence ratios and oxygen concentrations using a practical lab-scale burner. The concept can be adapted for commercial and industrial uses in heating and power. Furthermore, the findings of this study can be used to determine the optimum conditions for low emissions with a self-sustainable stationary flame during iron powder combustion, providing valuable insights into the combustion characteristics of iron powder and offering practical guidance for optimizing its combustion processes in the iron energy carrier cycle.

Effect of the coal-spreading air on airflow and low-NOx combustion within a 75 t/h coal-fired grate furnace

Coal-fired grate furnaces equipped with coal throwers, which conventionally own a low-NOx combustion framework consisting of (i) the partitioned primary air for the horizontal air staging on the grate and (ii) the coal-spreading air and secondary air for the vertical air staging in the freeboard, actually suffer from poor burnout and apparently high NOx emissions at habitual operations. While comprehensive investigations on the in-furnace airflow, coal combustion, and NOx formation, which are devoted to first explaining and then improving these problems, are absent up to now. In order to unveil the airflow, combustion, and NOx emission characteristics within a 75 t/h coal-fired reverse grate furnace, evaluate its coal-spreading air impact on the low-NOx combustion performance, and determine an appropriate coal-spreading air ratio for improving the furnace performance, both industrial-scale tests and numerical simulations were performed at the coal-spreading air ratios of 2 %, 4 %, 6 %, and 8 %, respectively. The flow-field deflection and asymmetric combustion appeared in the upper furnace, with the upward gas deflecting towards the rear-wall side and the front-half furnace part dominated by a weak recirculation zone without effective combustion. With increasing the coal-spreading air, problems of the flow-field deflection and asymmetric combustion aggravated. The combustion intensity weakened in the layer combustion zone while displayed an increase-to-decrease trend in the suspension combustion zone. In terms of indexes related to the furnace performance, burnout rate decreased continuously, and NOx emissions initially raised but then decreased. A comprehensive consideration of the coal-spreading requirement via air, flow-field symmetry, low-NOx combustion, and burnout suggests that a 2 % coal-spreading air ratio should be preferred, where NOx emissions and burnout loss were gained at 249 mg/m3 (6 % O2) and 5.75 %, respectively. It reduced NOx emissions by 49 % while raised slightly burnout loss, as compared with the corresponding levels of 486 mg/m3 and 5.4 % at the habitual case. These results not only negate the air-staging function of the coal-spreading air but also highlight the novelty of this work.

Experimental investigation of the effects of altitude on the performance of a non-sprayed porous burner

A self-sustained burner was built for diesel oil without an atomizer using metal fiber felt as an evaporator. The effects of firing rate, excess air coefficient, and altitude on the temperature distribution, NOx emission, and CO emission were studied. The results indicated that fuel evaporation and combustion inside the burner are significantly influenced by the altitude. The overall temperature distribution inside the burner first decreased and then increased with the increase in altitude. The main reasons for the formation of NOx are the local high temperature during start-up and the high temperature after flame stabilization. The NOx emission initially decreased and then increased with the increase in altitude. The NOx emission is the lowest at an altitude of 1700 m and reaches its maximum value at an altitude of 4780 m. The main cause of CO generation is incomplete combustion during the start-up process. The CO emission decreased with the increase in the excess air coefficient at the same altitude. Less CO is produced with the increase in altitude at the same firing rate and excess air coefficient.

Effects of MOx modification (M = Mn, Ce, and Fe) on the SCR catalytic properties of the CrOx-WOx mixed oxide catalysts

In this study, a series of MOx-modified (M = Mn, Fe, and Ce) CrOx-WOx mixed oxides were synthesized via the sol-gel technique for the selective catalytic reduction of NOx with NH3. Given the addition of MnOx or CeOx, the availability of the catalyst surface acid sites tended to decline, which negatively affected the proceeding of the deNOx process. Moreover, the retention of oxidative ability by introducing MnOx also favored the over-oxidation of NH3, which accelerated the additional formation of NOx and created a crucial barrier for the increment in the higher-temperature deNOx activity. Apparently, <80 % of the NOx could be effectively eliminated from the working gas within the whole temperature range for the CrCeW and CrMnW samples. By contrast, doping FeOx was able to introduce ample acid sites onto the catalyst surfaces, which was beneficial for the adsorption of NH3 and subsequently the facilitation of the progression of the deNOx process. Furthermore, the weakened oxidizability suppressed the over-oxidation of NH3. Consequently, a broad operating temperature window was obtained for the FeOx-doped catalyst; >90 % NOx conversion efficiency was achieved in the temperature range of 230–450 °C. During the deNOx process, the Eley-Rideal mechanism dominated over the four investigated samples.

Nox Emissions Assessment of a Multi Jet Burner Operated with Premixed High Hydrogen Natural Gas Blends

Abstract Decarbonization of gas turbine combustion creates a pressing demand for new technical solutions for the combustion process. While switching to hydrogen fuels may solve the problem of carbon emissions and associated pollutants it can also lead to stability issues for swirl-stabilized combustors due to its increased reactivity. However, with jet flame burner systems, the required flashback safety can be achieved with high axial flow velocities even for premixed combustion of 100% hydrogen fuel. The development of such an engineering solution, however, requires significant effort to reach the maturity of today's swirl burners. This study examines the capacity of a premixed multi-tube jet burner to manage the chemical reactivity change over a range of volumetric blends from pure natural gas to pure hydrogen fuel. NOx emissions are measured and analyzed for atmospheric tests. The changes in emissions originate not only from altered combustion chemistry but also from changes in flame shape and turbulence intensity. To get a deeper understanding of the NOx formation process, a low-order model is designed and compared to the experimental data of technically and perfectly premixed combustion tests. Parameter variations of the low-order model are conducted to assess the influences on the NOx emission production of the multi jet burner. The information on the combustion process required for the model is obtained computationally and experimentally. Therefore, flame images are recorded and analyzed.

The impact of struvite presence on the thermal decomposition of sewage sludge, including formation of NOx emissions

Monoincineration of sewage sludge (SS) is becoming a prevailing type of SS treatment due to its contamination and the ability to achieve enriched concentration of valuable inorganics in the end ash. In order to improve the recovery potential, particularly of inorganic, phosphorous (P) bearing species, thermal transformations of organic as well as inorganic SS compounds have to be considered. While important gains in predictive capability have already been made through extensive description of organic part decomposition, P is mostly present in the inorganic part of SS, together with notable amount of nitrogen (N). Current models consider these species in a simplified manner, making the ability to predict P and N fate during thermal treatment limited. The present work focuses on development and implementation of a one step reaction kinetics mechanism for struvite, a common P and N bearing compound in SS, which also presents an important route for P and N recovery. The new mechanism is implemented into an existing SS organic fraction decomposition mechanism and validated using 0D multiphase reactor simulations in Chemkin software. Results reveal up to 10 s faster temperature increase and decomposition of SS with the presence of struvite due to emission of NH3 and H2O occurring already from 350 °C onwards. The NH3 emissions are especially important as they lead to higher NOx formation. The work presents large potential for improving thermal decomposition prediction as well as emission mitigation strategies if struvite is included in the thermal decomposition models of SS. The developed methodology allows efficient implementation of also other P and N bearing species in the inorganic part of kinetic mechanism.

Assessment on NOx formation for CH4/H2/NH3 flame under MILD condition: Effect of air Swirl and ammonia fraction

In this study, the replacement of hydrogen with ammonia in a laboratory Moderate or Intense Low-Oxygen Dilution (MILD) burner is being investigated by incorporating air swirling to study NOx formation in the flow field. A CH4/H2/NH3 fuel jet is modeled using the RANS (Reynolds-Averaged Navier-Stokes equations) approach for various fuel mixtures with ammonia content ranging from 0% to 18%, while maintaining a constant methane concentration. The study is conducted under two conditions: axial coflow with hot diluted air and swirled with the swirl numbers of 0.6–1.0. The hot oxidizer consists of 9% O2 and 6% O2 at 1300 K. The combustion model is based on the eddy dissipation concept, and a detailed chemical mechanism is used to represent the chemical reactions. Numerical simulations suggest that swirl enhances the reactivity of nitrogen-containing reactions, with the sensitivity to swirl varying based on the inlet ammonia content. The addition of ammonia and air swirling improve the MILD index but reduce the MILD area. Swirling increases the temperature of the reacting field, while ammonia suppresses it. The results indicate the potential of swilr concept for enhanced dilution, improved flexibility in controlling NOx formation, and overcomed the ammonia reativity drwabacks.

Nitrogen oxides removal from hydrogen flue gas using corona discharge in marine boilers: Application perspective

This paper focuses on the combustion of hydrogen in boilers, as it appears to be a more effective method than using fuel cells for heating purposes due to higher boiler efficiency. One of the main disadvantages of hydrogen combustion in air is NOx formation. Therefore, the authors decided to introduce corona discharge as an innovative technique to clean hydrogen flue gas by effectively reducing NOx levels. The method involves generating positive plasma at atmospheric pressure by applying up to a 23 kV voltage difference between rod and ring-shaped electrodes. Experimental studies have shown that corona discharge can significantly lower the concentrations of NO and NOx in exhaust gases. The maximum DeNOx level was found to be 32.3%, while the plasma generator uses 17.5% of the power contained in burned hydrogen. The findings suggest that this technology holds potential for application in industrial hydrogen combustion systems, offering an environmentally friendly alternative to conventional NOx reduction methods.

Impact of hydrogen-assisted combustion in a toroidal re-entrant combustion chamber powered by rapeseed oil/waste cooking oil biodiesel

This study investigates the performance and emission characteristics of biodiesel blends of rapeseed oil and waste cooking oil in a toroidal re-entrant combustion chamber (TCC) compression ignition engine. Hydrogen was allowed into the engine in dual fuel mode to enhance the engine performance. The presence of oxygen in the biodiesel and hydrogen induction increased the peak pressure and heat release rate significantly for all the engine loads. At a peak load of 4.88 kW, the maximum brake thermal efficiency (BTE) of 31.77% was recorded for the D70R20W10 (diesel 70%, rapeseed oil 20%, waste cooking oil 10%) biodiesel blend. Furthermore, hydrogen induction enhanced the BTE by around 3%. The biodiesel blending substantially lowered the emissions of unburnt hydrocarbons, carbon monoxide, and smoke opacity. Additionally, hydrogen supplementation facilitated 5–10% carbon monoxide reduction over biodiesel blends by enabling more complete oxidation. However, higher temperatures generated due to complete combustion resulted in more NOx formation. Thus, the authors propose that biodiesel blends of rapeseed oil, waste cooking oil, and diesel with hydrogen induction improve engine performance and reduce regulated emissions.

Fuel-air ratio effect on hydrogen-methane flames in a high pressure burner for gas turbines

This numerical simulation studied the effect of H2-CH4 flame equivalence ratio on turbulent premixed combustion at 50%-50% concentration (by volume). The equivalence ratio was varied from 0.45 to 1.0 in 0.5 increments for 126 kW operating power, matching a 3.3 bar inlet reactant pressure. Tests utilized a gas turbine combustor. The thermal field, flow field, and pollutant emissions (NOx and CO) underwent rigorous analysis. The modelling framework applied steady Reynolds-Averaged Navier-Stokes (RANS) equations coupled to a probability density function (PDF) approach for turbulence-chemistry interactions and a NOx formation model. Results showed increasing equivalence ratio from 0.45 to 1.0 elevated temperature approximately 900 K, significantly promoting NOx up to 1600 ppm and CO beyond 1900 ppm. However, equivalence ratio changes minimally impacted the overall flow field, maintaining stabilized flames. These findings provide new insight on thermochemical effects and flame stability in gas turbine (G.T) combustors across a range of equivalence ratios relevant for clean, high-pressure H2-CH4 combustion. The combined RANS-PDF methodology enables predictive simulation of turbulence, kinetics, emissions, and flame stability to guide optimal fuel-air ratio selection and low-emission combustor design.

NOx Prediction of Supersonic Coherent Jets for Electric Arc Steelmaking Furnace

Supersonic coherent jets are widely in practice in steelmaking processes including electric arc furnaces (EAF). Injecting oxygen through such coherent jets plays a vital role in enhancing the liquid gas mixing and reaction rates leading to boosting energy efficiency. Several experiments and numerical simulations have been carried out to understand the physical phenomenon of the coherent jets and to predict the behavior of the jets. However, the research on pollutant formation in the coherent jets for steelmaking is limited. As the industry transitions toward reducing emissions, prediction of pollutant formation is crucial. This numerical study analyzes both methane shrouding coherent jets and hydrogen shrouding coherent jets and predicts the NOx (oxides of nitrogen) formation. It has been found that NO concentration dominates over N2O and NO2 and has the highest concentration around the jet. Although the NO concentration reaches as high as 1070 ppm at high-temperature region around the jet, it remains below 225 ppm along the fuel inlet axis. Also, it has found that the NOx concentrations increase along the radial direction up to 1.5De\\documentclass[12pt]{minimal} \\usepackage{amsmath} \\usepackage{wasysym} \\usepackage{amsfonts} \\usepackage{amssymb} \\usepackage{amsbsy} \\usepackage{mathrsfs} \\usepackage{upgreek} \\setlength{\\oddsidemargin}{-69pt} \\begin{document}$$1.5{\ ext{De}}$$\\end{document} from the jet central line and gradually decreases, whereas the NO concentration peaks at 15De\\documentclass[12pt]{minimal} \\usepackage{amsmath} \\usepackage{wasysym} \\usepackage{amsfonts} \\usepackage{amssymb} \\usepackage{amsbsy} \\usepackage{mathrsfs} \\usepackage{upgreek} \\setlength{\\oddsidemargin}{-69pt} \\begin{document}$$15{\ ext{D}}_{{\ ext{e}}}$$\\end{document} along the jet axis in the downstream direction.

A novel swirl burner with coal co-firing ammonia: Effect of extension length of the dual-channel ammonia pipe on combustion and NOx formation

The coal/ammonia co-firing technology for thermal power generation is a feasible method to effectively reduce CO2 emissions. However, the easy formation of NOx is one of the challenges faced by this technology owing to the high nitrogen content in ammonia. This study proposes a novel swirl burner with a scalable dual-channel ammonia pipe, and evaluates the combustion and NOx formation under different extension lengths of the dual-channel ammonia pipe (i.e., 0 m, 0.4 m, 0.8 m, 1.0 m, 1.2 m). The results show that the extension length of the dual-channel ammonia pipe significantly affects the flow, combustion, and NOx formation. When the extension length of the dual-channel ammonia pipe is above 0.8 m, the ammonia stream can completely penetrate the internal recirculation zone into the high CO environment, which contributes to promoting the ammonia pyrolysis and inhibiting the ammonia oxidation to form NOx. NOx emissions significantly decrease from 846 ppm to 146 ppm as the extension length of the dual-channel ammonia pipe from 0 m to 0.8 m, but change slightly as further increases from 0.8 m to 1.2 m. The carbon content in fly ash decreases from 4.53% to 3.40% as the extension length of the dual-channel ammonia pipe increases from 0 m to 1.0 m. Still, it increases from 3.40% to 3.70% as the extension length of the dual-channel ammonia pipe rises to 1.2 m. Overall, it is reasonable to set the extension length of the dual-channel ammonia pipe at 1.0 m in this studied condition, which can obtain low NOx and low carbon content in fly ash.

A consistent explanation of seemingly inconsistent experimental and theoretical data for N[formula omitted]O + O via MultiScale Informatics

The N2O + O reaction plays a critical role in NOx formation at high pressures and low peak temperatures, in the “dark zone” region of deflagration waves of organic energetic materials, and in N2O consumption in NH3 combustion. While the rate constant for N2O + O = NO + NO (R3) is considered reasonably well established, viewpoints regarding the rate constants for N2O + O = N2 + O2 (R2)—and even the main products of the N2O + O reaction—have not reached a consensus, with studies from the past few years continuing to reach drastically different conclusions. To date, no single model has been presented that can reproduce all key datasets on both sides of the debate. Using the MultiScale Informatics (MSI) approach, we identified a model consistent with a vast catalog of theoretical and experimental data previously used to determine rate constants for R2, R3, and other key reactions influencing experimental interpretations. Notably, this MSI model (presented herein) reproduces all experimental datasets previously used to anchor low-activation-energy k2 expressions that greatly favor R2 at intermediate temperatures. However, its kinetic parameters are also consistent with theoretical calculations that instead show high activation energy for R2 and k2 values many orders of magnitude lower—such that R3 is the main channel at essentially all temperatures. This model is also consistent with our new experimental data (presented in our companion paper) at optimally selected conditions that avoid the interpretation ambiguities that have hindered definitive conclusions from previous experimental data. The present analysis elucidates the role of secondary reactions that would have artificially inflated the apparent k2/k3 ratio previously deduced from experiments in a manner that may not have been detectable from even multi-species measurements at typical conditions—and may, therefore, explain the persistent historical difficulties in establishing the main products of N2O + O.Novelty and significance statementDespite decades of research, viewpoints regarding the rate constants for N2O + O = N2 + O2 (R2)—and even the main products of the N2O + O reaction—have not reached a consensus, with studies from the past few years still reaching drastically different conclusions. To date, no single model has been presented that can reproduce all key datasets on both sides of the debate. Here, we present a single model consistent with a vast catalog of theoretical and experimental data, including all experimental datasets previously used to anchor low-activation-energy expressions for k2 that greatly favor R2 as the main channel at intermediate temperatures—but with kinetic parameters consistent with theoretical calculations that instead show high activation energy for R2 and N2O + O = NO + NO (R3) as the main channel at essentially all temperatures.

Investigation of the chemical mechanism of pollutant formation in co-firing of ammonia and biomass lignin

Ammonia (NH3) and biomass are recognised as renewable energy carriers with substantial promise for reducing carbon emissions. However, the issue of nitrogen oxides (NOX, including NO and NO2) and nitrous oxide (N2O) emissions from ammonia combustion and soot from biomass combustion, remains a pressing concern due to their detrimental impacts on the environment and human health. This study investigated the mechanism of pollutant formation during ammonia-lignin co-firing through reactive molecular dynamics (RMD) simulations. The results indicate that co-firing a certain amount of ammonia with lignin can reduce the formation of soot. This is mainly due to NH2 radicals converting a portion of polycyclic aromatic hydrocarbon (PAH) precursors into C–N compounds. However, it is necessary to maintain higher ammonia concentrations. Adding a small quantity of ammonia would decrease the extent of oxidative reactions within the system and fail to generate enough NH2 radicals to consume the carbon atoms forming PAH precursors, ultimately resulting in increased soot production. The impact of lignin on the formation of NOX and N2O during ammonia combustion has two main aspects: Firstly, the oxidising radicals formed during the initial decomposition of lignin promote the generation of N–O bonds, leading to an increase in the quantities of NOX and N2O during the initial reaction stage. Secondly, the carbon-containing products produced from lignin decomposition consume nitrogen atoms by forming N–C bonds, thereby diminishing available nitrogen atoms for nitrogen oxides formation. This study provides new insights into the formation of primary pollutants of ammonia and biomass co-firing on an atomic scale, which can help develop pollutant mitigation measures.