NO Formation Research Articles

Biochar captures ammonium and nitrate in easily extractable and strongly retained form without stimulating greenhouse gas emissions during composting.

During composting of organic waste, nitrogen is lost through gaseous forms and ion leaching. Biochar has been shown to capture mineral nitrogen (Nmin: NH4 + and NO3 -) from compost, which we hypothesize reduces N2O formation. However, associating Nmin captured by biochar with the dynamics of N2O and other greenhouse gas (GHG) emissions during composting remains unstudied and was the aim of this work. We composted (outdoor for 148 days) together kitchen scraps (43.3% dw, where dw is dry weight), horse manure (40.9% dw), and wheat (Triticum aestivum L) straw (15.8% dw) without (Control) or with biochar (Bc, 15% compost dw). The biochar consisted of hardwood and softwood pieces pyrolyzed at 680°C and exhibited 60% of particles with 4-8mm. We monitored compost GHG (CO2, CH4, N2O) emissions, Nmin content in compost and biochar particles (sequential extractions), and biochar surface transformations (SEM-EDX and 13C-NMR spectroscopy) along composting. Biochar did not significantly reduce or increase GHG emissions and Nmin content (mg kg-1) in compost. However, the final NO3 - amount (g compost pile-1) in the Bc treatment was significantly higher (54%) compared to the Control, indicating lower NO3 - losses. Despite the high aromaticity and minimal contribution of carboxyl C to the biochar structure, biochar retained NH4 +, mainly in easily extractable form (55%), in the first 2 weeks of composting and mainly in strongly retained form (75%) in the final compost. The NO3 - content in biochar increased continuously during composting. In the final compost, the NO3 - content extracted from biochar was 164 (37%, easily extractable), 80 (19%, moderately extractable), and 194mg NO3 --N kg-1 (44%, strongly retained). Although Nmin retention in biochar was not accompanied by lower N2O emissions, contradicting our hypothesis, we demonstrated the efficacy of biochar to recover Nmin from organic waste without stimulating GHG emissions.

Mechanistic investigation of the suppressed N2O formation during the low-temperature NH3-SCR over the Sb-modified Mn/Ti catalyst

The formation of N2O during the NH3-SCR reaction over the Mn-based is one of the crucial factors limiting the industrial application of Mn-based catalysts. In this work, the Sb-modified Mn/Ti catalyst was prepared by the ultrasonic assistance impregnation method to control the formation of N2O during the NH3-SCR reaction. The preferred Mn3Sb/Ti catalyst had over 80 % NOx conversion at 150–300 °C, and more than 80 % N2selectivity at 150–250 °C, which were higher than that of the Mn/Ti catalyst at the same temperature window. A series of performance experiments showed that the Sb modification inhibited the oxidation of NH3to N2O and suppressed the N2O produced by the E-R mechanism in the NSCR reaction, which is the main pathway for N2O generation. Moreover, the presence of NO inhibited the oxidation of NH3 to generate N2O over the Mn3Sb/Ti catalyst. Based on the physical–chemical characterizations and DFT calculations, it was revealed that the introduced Sb species achieves a trade-off between redox ability and surface acidity over the Mn3Sb/Ti catalyst, which is beneficial to enhance the NH3-SCR performance and simultaneously suppress the over-oxidation of NH3. The high content of Mn3+caused by the electron transfer through the redox cycle of Sb3++Mn4+→Sb5++Mn3+ was beneficial in decreasing the N2O formation.The formation of NH speciesis inhibited on the Mn3Sb/Ti catalyst with a higher energy barrier of the NH2* conversion to NH* species due to the Sb modification. Meanwhile, the energy barrier of NH3*→NH2* is decreased and the energy barrier of NH2*+NO → N2 + H2O is lower than that of NH2*→NH* over the Sb-modified catalyst, indicating that the NH3-SCR reaction is more favorable than the formation of N2O on the Mn3Sb/Ti catalyst.

Revisit the role of hydroxylamine in sulfur-driven autotrophic denitrification

Through dedicated batch tests using the enriched sludge dominated by sulfur-oxidizing bacteria (SOB), the potential transformation of hydroxylamine (NH2OH) by SOB and the effects of NH2OH on the rate-limiting sequential reduction processes of sulfur-driven autotrophic denitrification (SDAD) were systematically explored in this study. The results indicated that NH2OH might be first converted to NO by SOB and then participate in the SDAD process, thus accelerating the utilization of S2- and contributing to the formation of N2O. Up to 3.5 mg-N/L NH2OH didn't affect the NO3- or NO2- reduction of SDAD, during which no significant changes were observed for the NH2OH concentration. Comparatively, even though NH2OH had no direct impact on the N2O reduction of SDAD, it could be consumed and therefore affect the depletion of N2O indirectly by regulating the toxic effect and electron supply of S2-. These findings provide novel implications for applying NH2OH to SDAD-based integrated processes for biological nitrogen removal.

Off-site production of plasma-activated water for efficient disinfection: The crucial role of high valence NOx and new chemical pathways

Efficient disinfection of pathogens is a critical concern for environmental disinfection and clinical anti-infective treatment. Plasma-activated water (PAW) is a promising alternative to chemical disinfectants and antibiotics for its strong disinfection ability and not inducing any acute toxicity. Previous plasma sources are commonly placed near or fully in contact with water as possible for more efficient activation, but the risk of electrode corrosion and metal particle contamination of water threatens the safety and stability of PAW. In this work, plasma-activated gas (PAG) rich in high-valence NOx is generated by a hybrid plasma configuration and introduced into water for off-site PAW production. It is found that plasma-generated O3 dominates the gas-phase reactions for the formation of high-valence NOx. With the time-evolution of O3 concentration, the gaseous NO3 radicals are produced behind N2O5 formation, but will be decomposed before N2O5 quenching. By decoupling the roles of gaseous NO3, N2O5, and O3 in the water activation, results show that short-lived aqueous species induced by gaseous NO3 radicals play the most crucial role in PAW disinfection, and the acidic environment induced by N2O5 is also beneficial for microbial inactivation. Moreover, SEM photographs and biomacromolecule leakage assays demonstrate that PAW disrupts the cell membranes of bacteria and thus achieves inactivation. In real-life applications, an integrated device for off-site PAW production with a yield of 2 L/h and a bactericidal efficiency of >99.9 % is developed. The PAW of 50 mL produced in 3 min using this device is more effective in disinfection than 0.5 % NaClO and 3 % H2O2 with the same bacterial contact time. Overall, this work provides new avenues for efficient PAW production and deepens insights into the fundamental chemical processes that govern the reactive chemistry in PAW for environmental and biomedical applications.

Large Eddy Simulation of NO Formation in Non-Premixed Turbulent Jet Flames with Flamelet/Progress Variable Approach

Large Eddy Simulation of NO Formation in Non-Premixed Turbulent Jet Flames with Flamelet/Progress Variable Approach

Synthesis of uniform-sized spherical monodisperse K2Ba[Ni(NO2)6] via polymer-assisted anti-solvent crystallization method for the enhanced catalytic pyrolysis of HNIW

Nitro complexes (NCs) have been selected as combustion catalysts for propellants due to their synergistic behavior. However, NCs prepared by traditional methods suffer from poor dispersion and irregular shape, which limit their catalytic potential. Hence, a polymer-assisted anti-solvent crystallization (PAASC) strategy was developed to fabricate potassium barium hexanitronickelate (K2Ba[Ni(NO2)6], PBHNN) crystals. In this method, emulsion particles created by mixing the solvent with the poor solvent serve as spherical templates. The particle size and monodispersity of PBHNN are controlled by PVP content. With 0.042 mol/L PVP, PBHNN were monodisperse with a particle size of 1.05±0.03 μm, which showed the best catalytic behavior for increasing the exothermic amount of hexanitrohexaazaisowurtzitane (HNIW) by 100.6 %. The high catalytic performance is due to the large specific surface area and improved contact efficiency. The in-situ TG-FTIR-MS test revealed that the procedure of PBHNN enhanced the pyrolysis of HNIW. The N-NO2 bonds of HNIW are weakened by the strong attraction of metal oxides to electrons, which accelerates the formation of NO2. Consequently, increased NO2 promotes subsequent oxidation reactions and improves the pyrolysis efficiency of individual HNIW. Therefore, the PAASC method is crucial for the fabrication of spherical monodisperse NCs with uniform particle size and high catalytic activity.

Study of the N2O formation mechanism in NOx-assisted heterogeneous catalytic combustion of soot in CeO2-based catalytic microchannel reactor

A CeO2-based catalytic microchannel reactor fixed-bed experiment was carried out to investigate the N2O formation in NOx-assisted catalytic combustion with fresh and hydrothermally aging catalysts during NOx-assisted heterogeneous catalytic combustion of soot. An evolved NOx-assisted soot catalytic combustion reaction mechanism was built to investigate N2O formation and key reaction pathways based on in situ Fourier Transform Infrared Spectroscopy (FTIR) diagnostics and destiny functional theory (DFT) computations. It was found that the temperature range of N2O formation was the same as the initiation temperature of soot catalytic combustion, while the significant catalytic activity of CeO2 catalyst induced a decrease in the temperature range of N2O formation. The CeO2 catalyst inhibited N2O formations from NOx-assisted soot catalytic combustion, while its inhibition effect was gradually weakened with the decrease of catalyst activities. The inhibitory effect of CeO2 on N2O was revealed in the reduction of CN formation rate in high temperatures. Fresh CeO2 catalyst increased the dominance in the CN formation reaction, reduced the CN production rate, and contributed to the decrease in the reaction rate of CNO oxidation by NO and NO2. The increase in the ratio of NOx to soot (β) was more sensitive to N2O formation than the ratio α (NO2 to NOx) and γ (O2 to NOx), led to a stronger inhibition of N2O formation.

A detailed chemical kinetic model for methanol and ammonia co-oxidation under hydrothermal flames: Reaction mechanism and flame characteristics

A detailed chemical kinetic model for ammonia and methanol co-oxidation under hydrothermal flames was established with pressure and thermodynamic corrections. Simulation model was validated by comparing with experimental temperature rise, and methanol and ammonia removal efficiencies. Species evolutions, reaction paths, and reaction sensitivities for pure ammonia combustion, and ammonia and methanol co-oxidation under hydrothermal flames were analyzed. Ammonia concentration begins to decrease only when methanol is consumed in a certain amount in the ammonia and methanol co-oxidation under hydrothermal flames, indicating the addition of methanol promotes the degradation of ammonia. Moreover, reaction heat is more conductive to ignition and the conversion of ammonia to nitrogen than active free radicals provided from methanol. The ignition delay time presents a minimum as a function of ammonia/methanol concentration ratio, with the minimum values of ignition delay time present at approximately ωNH3/ωCH3OH = 1 for different methanol concentrations. Higher preheating temperatures favor more NOX but less N2O formation, while higher ammonia concentrations favor both NOX and N2O formations. The presence of ammonia increases the laminar flame speed and permits a lower extinction temperature, indicating the mixture of methanol and ammonia can improve the stability of hydrothermal flames.

Influence of zeolite framework, copper speciation, and water on NO2 and N2O formation during NH3-SCR

The catalytic activity of Cu-zeolites of different topologies: BEA, MFI, MOR, FER, and CHA, prepared by impregnation or by solid-state ion exchange, were evaluated for NO2 and N2O formation during NH3-SCR reaction with or without H2O. All catalysts obtained by solid-state ion exchange were active in wider temperature windows and exhibited higher selectivity to N2, compared to those obtained by impregnation. Regardless of the method of copper introduction, the zeolites with 3D channels (BEA, MFI, CHA) were more active than those with the 2D channel frameworks (MOR and FER). The multimodal formation of NO2 and N2O results from several identified parallel-consecutive pathways, controlled primarily by copper speciation and the reaction temperature. Decomposition of NH4NO3 occurs via thermal dissociation, dehydration, and comproportionation with NO routes. The topology of the zeolites has less influence on the extent of decomposition of NH4NO3 into N2O vs. NO2 (the N2O/NO2 ratio of 3.2–3.5 was found for all zeolites), exerting a more distinct impact on the decomposition onset. For zeolites with the 3D channels, it starts at lower temperatures, and the N2O and NO2 pathways are more separated with the increasing temperature, compared to the 2D channel zeolites. The NH4NO3 dissociation pathway is essentially controlled by Brønsted acidity of the zeolites.

Recent Progress on Low-Temperature Selective Catalytic Reduction of NOx with Ammonia.

Selective catalytic reduction of nitrogen oxides (NOx) with ammonia (NH3-SCR) has been implemented in response to the regulation of NOx emissions from stationary and mobile sources above 300 °C. However, the development of NH3-SCR catalysts active at low temperatures below 200 °C is still needed to improve the energy efficiency and to cope with various fuels. In this review article, recent reports on low-temperature NH3-SCR catalysts are systematically summarized. The redox property as well as the surface acidity are two main factors that affect the catalytic activity. The strong redox property is beneficial for the low-temperature NH3-SCR activity but is responsible for N2O formation. The multiple electron transfer system is more plausible for controlling redox properties. H2O and SOx, which are often found with NOx in flue gas, have a detrimental effect on NH3-SCR activity, especially at low temperatures. The competitive adsorption of H2O can be minimized by enhancing the hydrophobic property of the catalyst. Various strategies to improve the resistance to SOx poisoning are also discussed.

Study on fuel-N conversion mechanism of ammonia-coal co-firing at different combustion stages

The co-combustion of ammonia and pulverized coal can effectively reduce the carbon emission of thermal power generation. However, ammonia, as a carbon-free fuel, is rich in large amounts of nitrogen, which increases the risk of high NOx emissions. Therefore, it is important to clarify the influence mechanism of ammonia on the NO formation of coal volatile-N and coal char-N in the co-combustion, and to reveal the N oxidation pathway in different combustion stages.In this study, simulations were carried out on the CHEMKIN software to investigate the generation characteristics of NO and the transformation mechanism of fuel-N at different combustion stages of ammonia-coal co-firing. The study showed that ammonia-blending combustion promoted the release of coal volatiles and the oxidation to NO. In the total NO generation during the ammonia-coal co-firing, the proportion of NO produced by ammonia-coupled coal char combustion was very low. Compared with ammonia-coupled coal combustion, the amount of NO produced in ammonia-coupled coal volatile combustion was significantly reduced. Sensitivity analysis and rate of production (ROP) analysis indicated that the increase of H, OH, and O free radicals promoted the NO formation, and that NHi free radicals played an important role in the NO reduction. By analyzing the elementary path of NO generated from ammonia-coupled pulverized coal, coal volatiles and coal char combustion at 1400 °C and 10 % ammonia ratio, it can be seen that the main path of NO formation during ammonia-coupled coal volatiles combustion is VOL→HCN→NCO→NO, CHAR→NO, NH2→HNO→NO, compared with ammonia-coupled coal combustion. The proportion of NH2→NH→NO reaction paths decreased, while the proportion of NH2→N2, NCN→NCO→N2, and NH2→NNH→N2 reaction paths increased respectively, indicating that separation combustion promoted the reduction of NO by NHi free radicals while inhibiting the oxidation of N-containing components.

Numerical study on the effect of injection strategy on combustion and NO emission from different sources in a diesel/ammonia RCCI engine

Diesel/ammonia operation is one of the ways to efficiently utilize ammonia and reduce carbon emissions, however, the increase in fuel NO introduces serious emission problems. To explore the generation mechanisms of fuel NO and oxidant source NO, a multi-component diesel/ammonia chemical reaction mechanism was constructed in this study, and based on 3D CFD simulation and N-element tracking method, the combustion and different source NO emission characteristics of diesel/ammonia reactivity controlled compression ignition (RCCI) engine at low loads were investigated by pilot injection timing (SOI1) and pilot injection ratio (PIR). In addition, the effect of different first injection spray angle (SA1) and double injection spray angle (SAtotal) on the engine operation was investigated. The results showed that high PIR and delayed SOI1 enhanced the engine IMEP but led to high PRRmax. At a PIR of 15 %, total NO emissions increased as SOI1 advanced, and the trend was reversed when the PIR was higher than 15 %. Fuel NO was produced earlier than the oxidant source N∗O. In terms of 1 spatial distribution, high concentrations of both NO and N∗O were distributed in and around the secondary diesel fuel ignition location, and fuel NO began to be reduced where the oxidant source N∗O was rapidly formed. The reduction mechanism of NO in the cylinder was a multi-path reduction mechanism incorporating Thermal DeNOx, NO Reburning, and inverse reaction pathways for NO formation from the oxidant source. Appropriate reduction of the SAtotal can significantly reduce the total NO emission while maintaining no significant reduction in IMEP. When SAtotal was 82°, the total NO emission was only 16.3 % of the original spray angle and PRRmax was further reduced. After optimization, when a narrow SAtotal of 82°, SOI1 of −15° CA, and PIR of 35 % were used, the IMEP of the engine increased by 5.9 %, and the total NO emission was reduced by 86 %, while PRRmax did not exceed the PRR upper limit.

Feasibility of using red mud as bed material for treating N2O in fluidized bed combustion

Red mud, a type of industrial waste, currently can’t be utilized effectively, and there are no efficient methods for controlling N2O emissions in circulating fluidized bed (CFB) boilers. Based on characteristics of N2O and the components of the red mud, the red mud was used in this study as bed materials of fluidized bed to treat N2O produced by coal combustion. The decomposition effect of red mud on N2O under various operating conditions during the coal combustion process was quantified in a bubbling fluidized bed, and the decomposition of N2O and NO after the flue gas passed through the bed material was investigated. In a variety of operational conditions, the presence of red mud has been observed to exert a pronounced inhibitory effect on the formation of N2O, while concurrently exhibiting the capacity to diminish the nitrogen conversion rate of N2O to varying degrees. Comparative analysis of N2O and NO emissions from char and coal revealed different levels of reduction, with the combination of CO and red mud being the most effective method. Red mud demonstrated superior N2O removal capabilities, while CO was more effective for NO removal. The issue of increasing NO can be resolved by balancing the iron-aluminum ratio of red mud, allowing the flue gas to pass through the red mud in the CFB’s low-temperature zone, and focusing on N2O removal in the furnace.

Carrier-phase direct numerical simulation and flamelet modeling of NOx formation in a pulverized coal/ammonia co-firing flame

A carrier-phase direct numerical simulation (CP-DNS) of a coal/ammonia co-firing flame in a turbulent mixing layer is performed with a detailed chemical reaction mechanism including NOx formation. The combustion characteristics and NOx formation mechanism of the coal/ammonia co-firing flame are investigated in detail through a conditional reaction pathway analysis. A new four-fuel-stream flamelet model is proposed to adapt to the piloted pulverized coal/ammonia co-combustion system, in which the complex mixing among the volatiles, char off-gases, ammonia, and the pilot stream is characterized with four mixture fractions. The flamelet solutions in the fourfold mixture fraction space are transformed into a uniform space to facilitate the access to the flamelet table. The performance of the flamelet model is evaluated through an a priori analysis, a combustion mode analysis, and a chemical timescale analysis. For the turbulent coal/ammonia co-firing flame studied, two distinct flame fronts within the shear layer are observed with the upper part being dominated by ammonia combustion and the lower part being governed by coal combustion. The conditional analyses show that NO species is mainly generated by the lower layer governed by pulverized coal combustion where the nitrogen-containing species from volatile combustion are highly involved in the NO formation. The NO concentration first increases with decreasing the fraction of ammonia in the local computational cell, and then decreases towards pure pulverized coal combustion, which is characterized with a newly introduced manifold coordinate. While the temperature and the major and intermediate species mass fractions in the coal/ammonia co-firing flame can be reasonably predicted by the proposed flamelet model, the NOx species mass fractions are not well predicted in the region where pulverized coal combustion dominates. It is clarified that the inaccurate prediction of the NOx species is not caused by interpolation errors, multiple combustion modes or the kinetics of NOx formation, but mainly attributed to the definition of the progress variable.Novelty and significance statementThe novelty of this research is the first DNS of a coal/ammonia co-firing flame in a turbulent mixing layer, and the proposal of a new flamelet tabulation method for predicting NOx formation in the coal/ammonia co-firing flame. It is significant because• Coal/ammonia co-firing promises to provide continuous, secure power supply at a much reduced carbon footprint compared to pure coal combustion;• The underlying physics governing the coal/ammonia co-firing are analyzed using carrier-phase DNS;• The performance of the newly proposed flamelet model in predicting the NOx species is evaluated based on the DNS dataset.

Synthesis and Structural Characterization of a Non-Heme Iron Hyponitrite Complex.

Flavodiiron NO reductases (FNORs) are important enzymes in microbial pathogenesis, as they equip microbes with resistance to the human immune defense agent nitric oxide (NO). Despite much efforts, intermediates that would provide insight into how the non-heme diiron active sites of FNORs reduce NO to N2O could not be identified. Computations predict that iron-hyponitrite complexes are the key species, leading from NO to N2O. However, the coordination chemistry of non-heme iron centers with hyponitrite is largely unknown. In this study, we report the reactivity of two non-heme iron complexes with preformed hyponitrite. In the case of [Fe(TPA)(CH3CN)2](OTf)2, cleavage of hyponitrite and formation of an Fe2(NO)2 diamond core is observed. With less Lewis-acidic [Fe2(BMPA-PhO)2(OTf)2] (2), reaction with Na2N2O2 in polar aprotic solvent leads to the formation of a red complex, 3. X-ray crystallography shows that 3 is a tetranuclear iron-hyponitrite complex, [{Fe2(BMPA-PhO)2}2(μ-N2O2)](OTf)2, with a unique hyponitrite binding mode. This species provided the unique opportunity to us to study the interaction of hyponitrite with non-heme iron centers and the reactivity of the bound hyponitrite ligand. Here, either protonation or oxidation of 3 is found to induce N2O formation, supporting the hypothesis that hyponitrite is a viable intermediate in NO reduction.

Synthesis and Structural Characterization of a Non‐Heme Iron Hyponitrite Complex

Flavodiiron NO reductases (FNORs) are important enzymes in microbial pathogenesis, as they equip microbes with resistance to the human immune defense agent nitric oxide (NO). Despite much efforts, intermediates that would provide insight into how the non‐heme diiron active sites of FNORs reduce NO to N2O could not be identified. Computations predict that iron‐hyponitrite complexes are the key species, leading from NO to N2O. However, the coordination chemistry of non‐heme iron centers with hyponitrite is largely unknown. In this study, we report the reactivity of two non‐heme iron complexes with preformed hyponitrite. In the case of [Fe(TPA)(CH3CN)2](OTf)2, cleavage of hyponitrite and formation of an Fe2(NO)2 diamond core is observed. With less Lewis‐acidic [Fe2(BMPA‐PhO)2(OTf)2] (2), reaction with Na2N2O2 in polar aprotic solvent leads to the formation of a red complex, 3. X‐ray crystallography shows that 3 is a tetranuclear iron‐hyponitrite complex, [{Fe2(BMPA‐PhO)2}2(μ‐N2O2)](OTf)2, with a unique hyponitrite binding mode. This species provided the unique opportunity to us to study the interaction of hyponitrite with non‐heme iron centers and the reactivity of the bound hyponitrite ligand. Here, either protonation or oxidation of 3 is found to induce N2O formation, supporting the hypothesis that hyponitrite is a viable intermediate in NO reduction.

Phytochemical Characterization of the Aerial Parts of Teucrium nuchense K. Koch: An Endemic Species of Caucasian Flora

Background: The genus Teucrium L. is frequently employed in traditional medicine, primarily for addressing disorders of the digestive and respiratory systems. Biological investigations focused on essential oils have substantiated their antibacterial, antioxidant, anti-tumor, anti-diabetic, and anti-rheumatic properties. Objective: The aim of the study was to assess the chemical composition and biological activities of the aerial parts of the endemic species Teucrium nuchense K. Koch. Methods: The chemical composition of the essential oil was analyzed using gas chromatography-mass spectrometry (GC-MS). The antioxidant activity was evaluated through the Oxygen Radical Absorbance Capacity (ORAC) assay and tested on normal skin fibroblasts (WS-1). Additionally, the antiinflammatory efficacy was assessed by monitoring nitric oxide production. The total phenolic content in the aqueous, methanolic, and chloroformic extracts was quantified using the Folin-Ciocalteu reagent. Individual compounds were isolated using preparative high-performance liquid chromatography. Their identification was accomplished using high-resolution mass spectrometry (HRMS) with an ESI-Q-TOF detector in conjunction with nuclear magnetic resonance (NMR) spectroscopy. Results: The essential oil yield was 0.32 ml/kg. Caryophyllene oxide, constituting 15.19 %, and 1- octen-3-ol, constituting 8.75%, emerged as the primary components in the essential oil. Oxygenated sesquiterpenes dominated the terpenic compounds, representing 25.1 % of the essential oil. The aqueous and methanolic extracts displayed a notable phenolic content, with percentages of 27 ± 2 % and 35 ± 0.1 %, respectively. Both the aqueous and methanolic extracts demonstrated robust antioxidant activity in the ORAC test and in vitro assessments using WS-1 cells. The methanolic extract, at a concentration of 160 μg/ml, inhibited NO formation by 90 %, without toxicity in RAW 264.7. Individual compounds, teucrioside from the phenylethanoid glycoside class, two neo-clerodane diterpenes, teucrin A, and 6-alpha-hydroxyteuscordine, were isolated. Conclusion: The essential oil extracted from the aerial parts of Teucrium nuchense is characterized by the presence of caryophyllene oxide and 1-octen-3-ol. The methanolic extract exhibits notable antioxidant as well as anti-inflammatory properties, whereas the aqueous extract demonstrates high antioxidant activity. Additionally, three compounds of teucrioside, teucrin A, and 6-α- hydroxyteuscordine have been isolated and characterized.

Study of NO and CO Formation Pathways in Jet Flames with CH4/H2 Fuel Blends

The existing natural gas transportation pipelines can withstand a hydrogen content of 0 to 50%, but further research is still needed on the pathways of NO and CO production under moderate or intense low oxygen dilution (MILD) combustion within this range of hydrogen blending. In this paper, we present a computational fluid dynamics (CFD) simulation of hydrogen-doped jet flame combustion in a jet in a hot coflow (JHC) burner. We conducted an in-depth study of the mechanisms by which NO and CO are produced at different locations within hydrogen-doped flames. Additionally, we established a chemical reaction network (CRN) model specifically for the JHC burner and calculated the detailed influence of hydrogen content on the mechanisms of NO and CO formation. The findings indicate that an increase in hydrogen content leads to an expansion of the main NO production region and a contraction of the main NO consumption region within the jet flame. This phenomenon is accompanied by a decline in the sub-reaction rates associated with both the prompt route and NO-reburning pathway via CHi=0–3 radicals, alongside an increase in N2O and thermal NO production rates. Consequently, this results in an overall enhancement of NO production and a reduction in NO consumption. In the context of MILD combustion, CO production primarily arises from the reduction of CO2 through the reaction CH2(S) + CO2 ⇔ CO + CH2O, the introduction of hydrogen into the system exerts an inhibitory effect on this reduction reaction while simultaneously enhancing the CO oxidation reaction, OH + CO ⇔ H + CO2, this dual influence ultimately results in a reduction of CO production.

Effects of ammonia energy ratio and PODE injection timing on combustion and emissions in a PODE/ammonia RCCI engine

The application of ammonia as an alternative carbon-free fuel has attracted increasing attention. In this paper, the effects and mechanisms of ammonia energy ratio (AER) and polyoxymethylene dimethyl ethers (PODE) injection timing on the combustion and emissions characteristics of a PODE/ammonia RCCI engine are investigated by both experimental and numerical methods. Results show that increasing AER from 10% to 40% leads to the delayed low temperature heat release (LTHR) due to reduced OH radical generated by PODE and the competition between PODE and ammonia for OH radical consumption. The larger AER increases the indicated thermal efficiency (ITE) by lowering combustion temperature and reducing heat transfer losses at the cost of higher hydrocarbon (HC), carbon monoxide (CO), and unburned NH3 emissions. The reduction of fuel-based nitrogen oxide (NOx) emissions with a larger AER is attributed to the enhanced in-cylinder thermal denitrification reactions. The delayed start of injection (SOI) from −60 °CA ATDC to −45 °CA ATDC leads to the higher peak in-cylinder pressure and temperature, resulting in the larger heat transfer losses and lower ITE. The impact of retarding SOI on NOx is insignificant under the combined effect of more thermal NO formation, less fuel-based NO generation, and weakened denitrification reactions. Additionally, nitrous oxide (N2O) shows dominant effects on the total greenhouse gas (GHG) emissions, and increasing AER or advancing injection timing produces more GHG. Under low loads and low AERs, although the introduction of ammonia helps to improve ITE, more researches are required to further reduce exhaust emissions.

Layered sodium manganese oxides for toxic nitrogen dioxide gas removal in ambient conditions

In this study, Na0.7MnO2 samples were successfully synthesized using a solid-state synthesis route with Na and Mn acetate precursors. The resulting Na0.7MnO2 crystallized in a hexagonal lattice with space group P63/mmc. These materials were investigated for their capacity to adsorb 100 ppm of NO2 gas at room temperature. Na0.7MnO2 exhibited an exceptional NO2 adsorption capacity of 163.3 mg/g, surpassing many previously reported porous and non-porous materials. Comprehensive experimental and spectroscopic analyses confirmed the formation of NO, NO2–, and NO3– species, following NO2 adsorption on the Na0.7MnO2 surface. Theoretical calculations further supported the chemisorption of NO2 gas molecules on the Na0.7MnO2 surface, with a maximum adsorption energy of –1.937 eV. Spectroscopic and Bader charge analyses confirmed that the NO2 gas molecule acted as a charge acceptor species on the oxide surface. This work represents the first detailed study validating Na0.7MnO2 as an effective room-temperature adsorbent for capturing and mineralizing NO2 gas. The exceptional NO2 adsorption capacity and the mechanistic insights into the adsorption process suggest the promising potential of Na0.7MnO2 and related oxides for applications in NO2 gas capture and conversion.