Fuel最新文献

{"title":"Highly efficient aqueous-phase hydrogenation of biomass-derived levulinic acid to γ-valerolactone over Ni3P/MCM-41 catalyst: The critical role of phosphorus modification and reaction pathways","authors":"Qingqing Zhu,&nbsp;Zhifu Hu,&nbsp;Junjie Jia,&nbsp;Qi Chen,&nbsp;Xiangjin Kong","doi":"10.1016/j.fuel.2025.137054","DOIUrl":"10.1016/j.fuel.2025.137054","url":null,"abstract":"<div><div>The aqueous-phase hydrogenation of levulinic acid (LA) to γ-valerolactone (GVL) is crucial for biomass valorization. To address the need for efficient and stable catalysts, we developed P-modified Ni/MCM-41 catalysts.  Importantly, precise control of the Ni:P ratio governs the formation of specific Ni-P phases, which directly determines catalytic activity. The optimal Ni₃P phase (Ni:P = 3:1) achieved 100 % GVL yield under mild conditions (80 °C, 10 h), significantly outperforming the inactive Ni₂P formed with excess P. Comprehensive characterization revealed that P enhances Ni dispersion and induces an electron-deficient state (Ni^δ+) via Ni → P charge transfer. <em>In situ</em> FTIR and adsorption studies demonstrated preferential LA adsorption on Ni₃P and identified angelica lactones as key intermediates,  thereby elucidating the reaction pathway that promotes selective hydrogenation over side reactions. The Ni₃P/MCM-41 catalyst-maintained its activity over four cycles. This work establishes fundamental structure–activity relationships and highlights precise Ni–P phase control as a critical design strategy for sustainable catalysis.</div></div>","PeriodicalId":325,"journal":{"name":"Fuel","volume":"406 ","pages":"Article 137054"},"PeriodicalIF":7.5,"publicationDate":"2025-10-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145262996","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"A coupled thermo-hydro-bio-chemical model for underground hydrogen storage in aquifers: new insights into biochemical effects","authors":"Yuyi Liu ,&nbsp;Diansen Yang ,&nbsp;Qingrong Xiong","doi":"10.1016/j.fuel.2025.137013","DOIUrl":"10.1016/j.fuel.2025.137013","url":null,"abstract":"<div><div>Underground hydrogen storage in aquifers (UHSA) is a promising approach for large-scale, cyclical hydrogen storage. However, indigenous hydrogenotrophic microorganisms may utilize hydrogen for biochemical reactions, potentially causing issues such as pore clogging and hydrogen loss. These microbial activities are further influenced by multi-physical fields such as fluid flow and temperature. In this study, we developed a coupled thermo-hydro-bio-chemical model for UHSA. Numerical simulation of a base-case scenario was conducted to investigate the spatiotemporal distribution of microorganisms, evolution of reservoir porosity, and hydrogen recovery performance. In addition, we analyzed the impact of various hydrogen injection strategies on biochemical effects. Our results indicate that microbial populations generally exhibit a growth-then-decay trend, and convective flow during the production stage can reduce microbial concentrations. Injecting low-temperature hydrogen helps suppress the formation of high-density microbial communities. Microorganisms are accumulated in the low-temperature zone during the production stage, resulting in substantial microbial decay which is favorable for hydrogen storage. Porosity evolution during the hydrogen storage process is primarily governed by microbial adsorption in the early stage and by mineral dissolution and precipitation in the later stage, showing a slight increase followed by a decrease. Nonetheless, the overall variation in porosity is negligible, exerting minimal influence on the flow behavior. Biogeochemical reactions lead to a 9.53% hydrogen loss and a 5% reduction in recovery efficiency. Compared to other injection strategies, slow and pulsed hydrogen injection induces a weaker microbial response. These findings enhance understanding of the biochemical impacts in UHSA and provide technical insights for practical applications.</div></div>","PeriodicalId":325,"journal":{"name":"Fuel","volume":"406 ","pages":"Article 137013"},"PeriodicalIF":7.5,"publicationDate":"2025-10-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145263107","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Towards understanding low-viscosity poly-α-olefin production from Fischer-Tropsch alpha-olefin-rich distillate by [Al2(Ga/Ti/Zr)xCl7+nx]--based ionic liquids: Lewis acidity and PAO structure","authors":"Jinxue He ,&nbsp;Chao Huang ,&nbsp;Likun Yang ,&nbsp;Dan Liu ,&nbsp;Hu Li ,&nbsp;Aijing Ma ,&nbsp;Shiguang Pan ,&nbsp;Angui Zhang ,&nbsp;Haoxuan Yu ,&nbsp;Jianzhou Gui","doi":"10.1016/j.fuel.2025.137055","DOIUrl":"10.1016/j.fuel.2025.137055","url":null,"abstract":"<div><div>Lewis acid imidazolium-based ionic liquids (ILs) with inorganic anions of [Al₂Cl₇]^-, [Al₂Ti_xCl_7+4x]^-, [Al₂Zr_xCl_7+4x]^-, and [Al₂Ga_xCl_7+3x]^- have been synthesized in good yields and used as the catalysts for the polymerization of Fischer-Tropsch (FT) mixed α-olefins. The poly alpha-olefins (PAO) products have been tuned through various bimetallic Lewis-acid ionic liquids (ILs). A high PAO yield of 95 % and excellent selectivity to trimers &amp; tetramers of 65 % were achieved at 100 °C for 120 min using 3 wt% [Bmim][Al₂Ga_0.1Cl_7.3] as the catalyst. The bimetallic Lewis acid ILs are easily separated from the reaction mixture and recycled with good stability. Molecular orbital studies show the LUMOs of IL anions have changed from Al to the other metal site (Ga/Ti/Zr), leading to a weakened Lewis acidity, finally making the PAO structure tunable. Notably‌, the synthesis of PAO products by bimetallic ILs from Fischer-Tropsch (FT) mixed α-olefins, instead of 1-decene from ethylene production, was demonstrated to be effective, ensuring a green, low-cost, and recyclable technology industrially. Furthermore‌, the IL catalysts demonstrated‌ inherent safety and environmental compatibility, ‌positioning them as promising alternatives to conventional BF₃ catalysts.</div></div>","PeriodicalId":325,"journal":{"name":"Fuel","volume":"406 ","pages":"Article 137055"},"PeriodicalIF":7.5,"publicationDate":"2025-10-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145263287","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Experimental study on the effect of pre-oxidation regulation on coal devolatilization and NOx emission during char combustion in O2/CO2/H2O atmosphere under pressurized conditions","authors":"Chenxi Bai,&nbsp;Wenda Zhang,&nbsp;Kun Chen,&nbsp;Sicong Xu,&nbsp;Yukai Li,&nbsp;Yijun Zhao,&nbsp;Shaozeng Sun,&nbsp;Dongdong Feng","doi":"10.1016/j.fuel.2025.136873","DOIUrl":"10.1016/j.fuel.2025.136873","url":null,"abstract":"<div><div>Pressurized oxy-fuel combustion is a potential carbon capture technology in coal-fired power generation. Pre-oxidation is an effective means to reduce NO_x emissions during coal combustion. In this study, a pressurized horizontal furnace experimental system was used to explore the effects of pre-oxidation temperature (750–1000 °C), O₂ concentration (0.5–10 %), gasifying agent and residence time (1–7 min) on the generation of CO, CO₂, CH₄ and NO_x in the devolatilization stage of pulverized coal and the generation of NO_x when char was burned in an O₂/CO₂/H₂O atmosphere at 1.3 MPa. The contribution of the devolatilization the char combustion stage to NO_x generation was comprehensively analyzed, and a pre-oxidation strategy suitable for pressurized oxy-fuel combustion NO_x reduction was proposed. The results showed that pre-oxidation of pulverized coal at low oxygen concentration in the devolatilization stage can promote the generation of reductive CO and inhibit the generation of NO_x. The NO_x generation was the lowest at 2 % O₂ concentration at 1.3 MPa pressure and 800 °C. In the combustion stage of the char obtained by pre-oxidation, the modified char obtained by 2 % O₂ concentration has the least NO_x generation. The NO_x emission level in the whole combustion process can be controlled by increasing the reaction temperature in the pre-oxidation stage, extending the residence time as much as possible within the devolatilization degree of 80 %, and reasonably regulating the O₂ in a low concentration range to increase the devolatilization degree in the pre-oxidation stage. This work provided evidence that targeted pre-oxidation under pressurized conditions synergistically suppresses NO_x formation across both devolatilization and char combustion stages, advancing the design of low-NO_x pressurized oxy-fuel systems.</div></div>","PeriodicalId":325,"journal":{"name":"Fuel","volume":"406 ","pages":"Article 136873"},"PeriodicalIF":7.5,"publicationDate":"2025-10-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145263096","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Combustion and radiation characteristics of the flame of an Al-Li-based alloy composed of many discrete condensed phase particles","authors":"Yuyang Zeng ,&nbsp;Feipeng Lu ,&nbsp;Chengchen Zhang ,&nbsp;Qian Huang ,&nbsp;Yikai Wang ,&nbsp;Mingxing Zhang ,&nbsp;Wenlong Ren ,&nbsp;Dehao Xiong ,&nbsp;Chenguang Zhu","doi":"10.1016/j.fuel.2025.136996","DOIUrl":"10.1016/j.fuel.2025.136996","url":null,"abstract":"<div><div>The use of alloys as the combustible component in infrared decoy formulations enhances their infrared radiation characteristics, resulting in a spectral output that more closely aligns with that of actual protected targets. In this study, formulations for two Al-Li-based and three Mg-Al-based alloys were developed for application in infrared decoys, and their combustion behavior and infrared radiation characteristics were investigated. The results indicate that the mid-to-far infrared radiation intensity ratio for the Al-Li-based alloys ranges from 3.0 to 3.5, whereas that for the Mg-Al-based alloys spans from 4.5 to 5.2. The mechanism responsible for the lower mid-to-far infrared radiation ratio of the Al-Li-based alloys was analyzed using high-speed photography, high-speed infrared imaging, radiometry, and X-ray diffraction (XRD). In contrast to the Mg-Al-based alloys, those based on Al-Li produce combustion products that are primarily high-temperature condensates. Furthermore, Al-Li alloys combust at a lower temperature. The combustion products of the Al-Si-Li alloy, in particular, exhibit characteristic emission in the far-infrared band, thereby significantly enhancing the radiant proportion in this spectral region.</div></div>","PeriodicalId":325,"journal":{"name":"Fuel","volume":"406 ","pages":"Article 136996"},"PeriodicalIF":7.5,"publicationDate":"2025-10-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145263688","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Combustion and emission characteristics of an ammonia diesel dual-fuel medium-speed marine engine under high-load conditions","authors":"Hongmei Li ,&nbsp;Wenzheng Zhang ,&nbsp;Yong Qian ,&nbsp;Yuchen Hu ,&nbsp;Yan Peng ,&nbsp;Dehao Ju ,&nbsp;Gang Liang ,&nbsp;Xingcai Lu","doi":"10.1016/j.fuel.2025.137042","DOIUrl":"10.1016/j.fuel.2025.137042","url":null,"abstract":"<div><div>Ammonia, a zero-carbon fuel producing no CO₂ during combustion, is recognized by the IMO as key for future zero-emission shipping. Ammonia engines are thus pivotal for maritime decarbonization. However, ammonia’s inherent characteristics—high ignition energy, slow flame speed, and narrow flammability limits—present challenges for marine engine application. While research on ammonia engine combustion and emissions exists, most focus on small-bore high-speed engines, with limited data on large-bore engines under high AER and load. This study investigates a 270 mm bore marine medium-speed engine. Using port-injected ammonia ignited by direct-injected diesel, the effects of AER and λ on combustion and emissions were systematically explored at high load (IMEP = 18.6 bar). Results show stable combustion up to 86 % AER. Increasing AER raised peak cylinder pressure, temperature, and pressure rise rate, while thermal efficiency exhibited a non-linear trend, overall exceeding diesel mode efficiency. Higher AER increased total NH₃ emission but decreased its escape rate (defined as the ratio of NH₃ emission value to the supplied ammonia mass flow rate), NOx emissions first decreased, then increased, and N₂O decreased continuously. Over the λ range tested, its impact on peak pressure and pressure rise rate was limited, but higher λ significantly lowered peak temperature and thermal efficiency at low λ. Increasing λ raised NH₃ emissions and escape rate, NO_x emissions first increased then decreased, while N₂O rose continuously. Crucially, higher λ effectively reduced CO₂ and equivalent CO₂ emissions.</div></div>","PeriodicalId":325,"journal":{"name":"Fuel","volume":"406 ","pages":"Article 137042"},"PeriodicalIF":7.5,"publicationDate":"2025-10-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145263275","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Experimental and numerical study on the effect of diluents on laminar burning velocities of near-limit hydrogen flames at normal and reduced pressures","authors":"Senlin Lyu,&nbsp;Yunyang Liu,&nbsp;Erjiang Hu,&nbsp;Geyuan Yin,&nbsp;Zuohua Huang","doi":"10.1016/j.fuel.2025.137031","DOIUrl":"10.1016/j.fuel.2025.137031","url":null,"abstract":"<div><div>In this study, the effects of diluents (CO₂, N₂, AR and HE) and pressures on laminar burning velocity (LBV) of near-limit H₂/Air/diluent flames were investigated experimentally and computationally. The LBVs of H₂/Air at CO₂ and N₂ dilution at varying equivalence ratios (<em>ϕ</em>) and dilution ratios (up to 52 % by volume) under normal and reduced pressures were measured using a constant volume vessel. Several H₂ kinetic models (FFCM-1, NUIG 2013, Davis model, Sun model, Dryer model and Li model) were compared and validated against experimental data. The fictitious dilution gas method was applied to investigate the chemical, physical, and global effects of the four diluents. Corresponding kinetic analysis was conducted to gain deep insight of the combustion process of near-limit H₂ flames. The results show that the measured minimum LBV for H₂/Air/diluent flames is yield below 2 cm/s and the models prediction results are significantly lower than measured values. Inhibition effect on LBV is CO₂ &gt; N₂ &gt; AR &gt; HE. CO₂ exists the strongest chemical effect to suppress LBV. HE exists the weakest inhibition effect, benefiting from its highest thermal diffusivity, as well as its low specific heat capacity. A reversal of sensitivity was observed at 40 % CO₂ dilution with <em>ϕ</em> = 0.8. The sensitivity of the reaction H + O₂ + M = HO₂ + M increases with increasing dilution ratio, and the diluent as the third body of the system, M, controls the rate of the reaction. The difference in rate of this reaction may be responsible for the discrepancy between model predictions and experimental values.</div></div>","PeriodicalId":325,"journal":{"name":"Fuel","volume":"406 ","pages":"Article 137031"},"PeriodicalIF":7.5,"publicationDate":"2025-10-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145263002","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Combustion characteristics, soot precursors and soot particle characteristics of methanol/coal-to-liquid (CTL) in RCCI combustion mode","authors":"Jialong Zhu ,&nbsp;Shuai Liu ,&nbsp;Zhong Wang","doi":"10.1016/j.fuel.2025.136947","DOIUrl":"10.1016/j.fuel.2025.136947","url":null,"abstract":"<div><div>This study explores methanol/coal-to-liquid (CTL) dual-fuel Reactivity Controlled Compression Ignition (RCCI) combustion in a diesel engine. Combining experimental measurements and computational fluid dynamics simulations, the research evaluates combustion performance, soot precursor formation, and the physicochemical properties of emitted soot particles. Results indicate that methanol port injection significantly shortens ignition delay (5.1 °CA vs. 15.2–17.0 °CA for conventional modes) and increases peak in-cylinder pressure due to intensified premixed combustion. Although brake thermal efficiency decreased by 3.1% compared to diesel, soot precursors (A1–A7) were effectively suppressed, attributed to enhanced OH radical activity and shifted formation zones toward lower temperatures and higher equivalence ratios. Notably, methanol/CTL soot exhibited larger primary particle size, higher organic carbon fraction, elevated surface oxygen content, and more disordered nanostructure. These structural modifications contributed to markedly improved oxidation reactivity. The findings demonstrate that methanol/CTL RCCI combustion effectively reduces soot precursor generation and alters soot properties toward higher reactivity, facilitating more efficient oxidation in aftertreatment systems.</div></div>","PeriodicalId":325,"journal":{"name":"Fuel","volume":"406 ","pages":"Article 136947"},"PeriodicalIF":7.5,"publicationDate":"2025-10-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145263272","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Formation mechanisms of H2S in coal seam of southern Junggar Basin in Xijiang, China","authors":"Linan Su ,&nbsp;Yixuan Zhou ,&nbsp;Weizhong Zhao ,&nbsp;Wenjie Zhao","doi":"10.1016/j.fuel.2025.136992","DOIUrl":"10.1016/j.fuel.2025.136992","url":null,"abstract":"<div><div>Although the coal seams in the Fukang block of southern Junggar Basin is characterized by low sulfur content, abnormally high concentrations of hydrogen sulfide (H₂S) have been detected during the middle to late stages of coalbed methane (CBM) drainage. This unexpected H₂S enrichment cannot be adequately explained by conventional thermogenic or biogenic formation mechanisms. To investigate the origin of this anomaly, we conducted integrated field monitoring at CBM well CSD-05 and designed a laboratory-scale dynamic anaerobic digestion system to simulate varying rates of H₂S recharge. The results indicate that, during the CBM drainage process, groundwater continuously transports nutrients and sulfate ions into the coal seams. Under dynamic anaerobic conditions, sulfate-reducing bacteria (<em>Desulfobulbus</em>, <em>Desulfomicrobium</em>) reduce the sulfate in groundwater to form H₂S by utilizing acetic acid provided by acid-producing bacteria (<em>Pseudomonas</em>, <em>Romboutsia</em>) or methane generated by methanogens as electron donors. Peak H₂S generation occurs when three critical factors are optimally aligned: groundwater recharge rate, CBM drainage rate, and the metabolic cycle of sulfate-reducing bacteria. This newly identified mechanism of H₂S generation is termed as epigenetic biogenic H₂S. Field monitoring and laboratory simulations confirm the synergistic influence of these factors on H₂S production: Specifically, when the field daily water production remains around 6 m³/d, the adequate supply of nutrients and sulfate lead to increased sulfate-reducing bacterial abundance, resulting in H₂S concentrations as high as 641 ppm. In laboratory simulations conducted at a flow rate of coal seam water 0.05 mL/min, the cumulative H₂S production reaches 12.24 mL/g. In contrast, when the nutrient and sulfate supply is insufficient or interrupted, the H₂S concentrations drop to 25 ppm or 0 ppm, respectively. When the supply is too rapid, the external recharge rate surpasses the growth and metabolic rate of bacterial community, causing a decline in cumulative H₂S production to 5.9 mL/g. The results indicate that the maximum production of epigenetic biogenic H₂S is achieved when the liquid recharge and drainage rates of the fermentation system are adjusted every two weeks, precisely matching the metabolic cycle of sulfate-reducing bacteria.</div></div>","PeriodicalId":325,"journal":{"name":"Fuel","volume":"406 ","pages":"Article 136992"},"PeriodicalIF":7.5,"publicationDate":"2025-10-07","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145263000","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Insights into the co-combustion properties and NOx emissions of ammonia/dimethoxymethane via ReaxFF molecular dynamics and kinetic numerical simulations","authors":"Huanhuan Qin ,&nbsp;Shujia Zhou ,&nbsp;Tiantian Xu ,&nbsp;Yaolei Zhao ,&nbsp;Jie Yu ,&nbsp;Yulei Guan ,&nbsp;Weiyu Bi","doi":"10.1016/j.fuel.2025.137088","DOIUrl":"10.1016/j.fuel.2025.137088","url":null,"abstract":"<div><div>Dimethoxymethane (DMM) is a promising combustion enhancer for ammonia (NH₃) — a carbon-free fuel, attracting interest in sustainable energy applications. However, current kinetic models for DMM/NH₃ co-combustion fail to simultaneously capture laminar burning velocity (LBV) and ignition delay time (IDT). This study employs the ReaxFF molecular dynamics (RMD) simulations to explore NH₃/DMM co-combustion, under varying temperatures, DMM mixing ratios, and O₂ equivalence ratios, focusing on NO formation/consumption pathways. The RMD simulations reveal that the C<img>O bonds in DMM are more favorable for cleavage than the N<img>H bond in NH₃, generating methoxy and methyl radicals that initiate radical-chain propagation in NH₃ oxidation. A detailed kinetic model was developed based on RMD insights and prior studies, accurately capturing LBV and IDT under given experimental conditions. Simulations reveal a strong positive correlation between NO yield and DMM mixing ratio (0.2‒0.4), with an 18.4 % increase in peak NO concentrations as DMM content rises from 0.2 to 0.4 under stoichiometric conditions. This trend is attributed to that increasing the DMM mixing ratio suppresses NH and NH₂ formation while enhancing H, O, and OH, thereby promoting NH₃ oxidation and shifting nitrogen conversion toward NO formation channels.</div></div>","PeriodicalId":325,"journal":{"name":"Fuel","volume":"406 ","pages":"Article 137088"},"PeriodicalIF":7.5,"publicationDate":"2025-10-07","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145263363","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}