Journal of The Energy Institute最新文献

英文中文

Unraveling cyclohexane combustion mechanisms with ReaxFFCHO-S22 reactive molecular dynamics simulations 用ReaxFFCHO-S22反应分子动力学模拟揭示环己烷燃烧机理

IF 6.2 2区工程技术 Q2 ENERGY & FUELS

Journal of The Energy Institute

Pub Date : 2026-02-01 Epub Date: 2025-10-18 DOI: 10.1016/j.joei.2025.102343

Bin Xiao , Qingqing Wang , Qi He , Xudong He , Yanjie Liu , Tianhao Yang , Bowen Li , Ning Wang , William A. Goddard III , Yi Liu

Cyclohexane is a typical surrogate model for hydrocarbon fuels whose combustion is responsible for pollutant formation in the engine emission. This study leverages ReaxFF molecular dynamics simulations to delve into the combustion dynamics of cyclohexane across varying temperatures, densities, and equivalence ratios, while also considering the influence of water. The simulations replicate quite well the primary intermediates and reaction pathways observed in experimental studies, underscoring the reliability of our approach. Central to this investigation is the application of the ReaxFF_CHO-S22 force field, meticulously re-parameterized recently against high-level quantum mechanical calculations to capture the detailed behaviors of combustion at a molecular level. Our findings underscore the predominance of homolytic C-C bond cleavage as the initial ring opening step in the combustion sequence, leading to the generation of significant intermediates and products such as C₂H₄, CH₂O, CO, CO₂, and H₂O. Notably, our results reveal that elevated temperatures and large densities facilitate the oxidation process of cyclohexane. Furthermore, the incorporation of a small amount of H₂O into the system promotes the conversion of CO to CO₂, providing nuanced insights into the clean combustion mechanism. These discoveries not only offer a detailed understanding of cyclohexane combustion process at the atomistic level but also validate that the ReaxFF_CHO-S22 force field is a powerful tool for future research into the combustion behaviors of general hydrocarbon fuels including fossil fuels and biofuels, paving the way for more efficient energy utilization and the development of cleaner combustion technologies.

环己烷是典型的烃类燃料替代模型，其燃烧是发动机排放污染物形成的主要原因。本研究利用ReaxFF分子动力学模拟来深入研究环己烷在不同温度、密度和当量比下的燃烧动力学，同时也考虑了水的影响。模拟很好地复制了实验研究中观察到的主要中间体和反应途径，强调了我们方法的可靠性。这项研究的核心是ReaxFFCHO-S22力场的应用，最近针对高级量子力学计算进行了精心重新参数化，以捕捉分子水平上燃烧的详细行为。我们的研究结果强调了均溶C-C键劈裂作为燃烧序列中初始开环步骤的优势，导致生成重要的中间体和产物，如C2H4， CH2O， CO， CO2和H2O。值得注意的是，我们的研究结果表明，升高的温度和大的密度有利于环己烷的氧化过程。此外，在系统中加入少量的水可以促进CO向CO2的转化，从而为清洁燃烧机制提供了细致入微的见解。这些发现不仅在原子水平上提供了对环己烷燃烧过程的详细了解，而且验证了ReaxFFCHO-S22力场是未来研究包括化石燃料和生物燃料在内的一般碳氢燃料燃烧行为的有力工具，为更有效地利用能源和开发更清洁的燃烧技术铺平了道路。

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引用次数: 0

Enhanced removal of unconventional pollutants by chemical agglomeration in a 600 MW coal-fired power unit 600 MW燃煤机组化学团聚法对非常规污染物的强化去除

IF 6.2 2区工程技术 Q2 ENERGY & FUELS

Journal of The Energy Institute

Pub Date : 2026-02-01 Epub Date: 2025-12-16 DOI: 10.1016/j.joei.2025.102425

Xiangzheng Cui , Xing Chuai , Daorong Sun , Rihong Xiao , Zhuo Xiong , Yongchun Zhao , Junying Zhang

To meet increasingly stringent environmental requirements, an efficient synergistic method known as “chemical agglomeration” has been developed for the removal of unconventional pollutants such as fine particles (<10 μm) and heavy metals. The first demonstration of a 600 MW coal-fired power plant has been carried out, the concentrations of PM₁, PM_2.5, and PM₁₀ at the inlet of electrostatic precipitator decreased from 124.18 mg/m³, 359.48 mg/m³ and 947.71 mg/m³ to 85.56 mg/m³, 240.64 mg/m³ and 491.98 mg/m³, respectively. Compared to the original purification device, the PM₁₀ removal efficiency has been improved by 48.09 %. The concentrations of fine particulate Cr, Mn, Co, Cu, Zn, As, Se, Cd, and Pb decreased by 8.49 %, 36.78 %, 44.55 %, 41.64 %, 31.82 %, 47.56 %, 36.24 %, 48.14 %, and 42.63 %, respectively. The concentration of total heavy metals exported by electrostatic precipitator has decreased by more than 35 %. The particle concentration decreased from 16.1 mg/m³ to 8.4 mg/m³ at the outlet of electrostatic precipitator. The final particle emission concentration in the flue gas was only 1.09 mg/m³, which below the world's strictest emission standards. The removal efficiency of particles by chemical agglomeration system synergistic wet flue gas desulphurization was as high as 93.23 %, far higher than that of wet electrostatic precipitator synergistic wet flue gas desulphurization (67.89 %). The mechanism by which chemical agglomeration enhances the removal of unconventional pollutants has been elucidated. This technology not only improves the capture of fine particles but also significantly increases the removal efficiency of heavy metals, thereby contributing to the development and innovation of control technologies for unconventional pollutants.

为了满足日益严格的环境要求，一种高效的协同方法被称为“化学团聚”，用于去除细颗粒（<10 μm）和重金属等非常规污染物。在某600mw燃煤电厂进行首次示范后，电除尘器进口PM1、PM2.5、PM10浓度分别从124.18 mg/m3、359.48 mg/m3、947.71 mg/m3降至85.56 mg/m3、240.64 mg/m3、491.98 mg/m3。与原有的净化装置相比，PM10的去除效率提高了48.09%。细颗粒物Cr、Mn、Co、Cu、Zn、As、Se、Cd和Pb浓度分别下降8.49%、36.78%、44.55%、41.64%、31.82%、47.56%、36.24%、48.14%和42.63%。经静电除尘器处理后，总重金属浓度降低35%以上。电除尘器出口颗粒浓度由16.1 mg/m3降至8.4 mg/m3。烟气中最终颗粒排放浓度仅为1.09 mg/m3，低于世界上最严格的排放标准。化学团聚系统协同湿法烟气脱硫的颗粒去除率高达93.23%，远高于湿式静电除尘器协同湿法烟气脱硫的67.89%。阐明了化学团聚增强非常规污染物去除的机理。该技术不仅提高了细颗粒的捕获，而且显著提高了重金属的去除效率，从而有助于非常规污染物控制技术的发展和创新。

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引用次数: 0

Deciphering PM10 formation in high-sodium coal gasification: Synergistic effects of mineral vaporization and fragmentation 解析高钠煤气化过程中PM10的形成：矿物汽化和破碎的协同效应

IF 6.2 2区工程技术 Q2 ENERGY & FUELS

Journal of The Energy Institute

Pub Date : 2026-02-01 Epub Date: 2025-11-24 DOI: 10.1016/j.joei.2025.102387

Lei Huang , Lingxue Kong , Guanghui Zhang , Tiantian Ma , Xiaojun Xuan , Jin Bai , Wen Li

This study elucidates the dual mechanisms governing PM₁₀ formation during high-sodium coal gasification through integrated experimental and modeling approaches. Utilizing a flat-flame burner reactor at 1200–1400 °C, we systematically investigated temperature-dependent particle morphology evolution and chemical speciation. The bimodal particle size distribution revealed distinct formation pathways: ultrafine particles (<0.154 μm) predominantly originated from vaporization-nucleation of alkali/refractory elements, while larger particulates (0.154–10 μm) stemmed from mineral fragmentation. Elevated temperatures (Δ200 °C) enhanced Na/Si/Ca vaporization by 7.2/165/243-fold respectively, correlating with 178 % PM_0.05 yield increase. Notably, H₂-mediated reduction dominated Si/Ca/Mg release (53–68 %), contrasting with CO-driven Fe volatilization (66 %). The developed multiscale model incorporating char conversion kinetics, mineral thermodynamics, and aerosol dynamics successfully predicted particulate yields and particle size distribution transitions. These findings provide critical insights for optimizing gasifier operations to mitigate PM emissions in high-sodium coal utilization.

本研究通过实验和模拟相结合的方法阐明了高钠煤气化过程中PM10形成的双重机制。利用1200-1400°C的平焰燃烧器反应器，我们系统地研究了温度依赖的颗粒形态演化和化学形态。双峰粒径分布显示出不同的形成途径：超细颗粒（<0.154 μm）主要来源于碱/难熔元素的汽化成核，而较大颗粒（0.154 ~ 10 μm）主要来源于矿物破碎。升高温度（Δ200°C）使Na/Si/Ca的汽化率分别提高了7.2/165/243倍，PM0.05产率提高了178%。值得注意的是，h2介导的还原主导了Si/Ca/Mg的释放（53 - 68%），而co驱动的Fe挥发（66%）。该多尺度模型结合了炭转化动力学、矿物热力学和气溶胶动力学，成功地预测了颗粒产量和颗粒大小分布的转变。这些发现为优化气化炉操作以减少高钠煤利用中的PM排放提供了重要见解。

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引用次数: 0

Rice straw derived silica rich ash catalyst for efficient hydrothermal liquefaction of rice straw to value added chemicals 稻秆衍生的富硅灰催化剂用于稻秆高效水热液化生产高附加值化学品

IF 6.2 2区工程技术 Q2 ENERGY & FUELS

Journal of The Energy Institute

Pub Date : 2026-02-01 Epub Date: 2025-11-24 DOI: 10.1016/j.joei.2025.102393

Bijoy Biswas , Mridusmita Dutta , Shivani Thakur , Yogalakshmi Kadapakkam Nandabalan , Sandeep Kumar , Rawel Singh

In this study, hydrothermal liquefaction (HTL) of rice straw (RS) an abundant agricultural waste was carried out to produce bio-oil. Silica (SiO₂)-rich ash derived from RS was used as a catalyst. Different reaction parameters such as reaction temperatures (230–270 °C), residence times (15–45 min), catalytic dosage (5–15 wt%) and different solvents such as water (H₂O), Ethanol (EtOH), water-ethanol (H₂O-EtOH), water-methanol (H₂O-MeOH), and water-isopropyl alcohol (H₂O-IPA) solvent mixtures were employed. In non-catalytic HTL, the highest bio-oil yield (52.5 wt%) was obtained using an H₂O-EtOH solvent mixture compared to H₂O (14.75 wt%), EtOH (25.2 wt%), H₂O-MeOH (45.7 wt%), and H₂O-IPA (51.2 wt%) at temperature 250 °C for 30 min of reaction time. Using a SiO₂-rich ash catalyst further improved the bio-oil yield to 59.16 wt% at 250 °C for 30 min under the H₂O-EtOH solvent system. Catalytic HTL bio-oil showed a high content of phenolics (24.12 %), ketones/aldehydes (22.12 %), and hydrocarbons (18.61 %). The hydrogenation reaction was promoted in the presence of catalyst and the higher phenolic and hydrocarbon content was found in the catalytic bio-oil. The bio-oil obtained under catalytic conditions exhibited lower oxygen content (30.6 wt%) and a higher heating value (26.61 MJ/kg) compared to bio-oil obtained under non-catalytic reactions. This study highlights the potential of SiO₂ rich ash catalysts from RS biomass for producing quality bio-oil.

本研究以丰富的农业废弃物秸秆为原料，进行水热液化生产生物油。采用RS衍生的富二氧化硅（SiO2）灰作为催化剂。采用不同的反应参数，如反应温度（230-270℃）、停留时间（15-45 min）、催化用量（5-15 wt%）和不同的溶剂，如水（H2O）、乙醇（EtOH）、水-乙醇（H2O-EtOH）、水-甲醇（H2O- meoh）和水-异丙醇（H2O- ipa）溶剂混合物。在非催化HTL中，使用H2O-EtOH溶剂混合物获得了最高的生物油收率（52.5 wt%），相比之下，在250°C下反应30分钟，水（14.75 wt%）， EtOH (25.2 wt%), H2O- meoh （45.7 wt%）和H2O- ipa （51.2 wt%）。使用富sio2灰分催化剂，在H2O-EtOH溶剂体系下，在250°C下反应30 min，生物油收率进一步提高到59.16 wt%。催化HTL生物油中酚类（24.12%）、酮类/醛类（22.12%）和烃类（18.61%）的含量较高。催化剂的存在促进了加氢反应，催化生物油中酚类和烃类含量较高。与非催化反应下得到的生物油相比，在催化条件下得到的生物油具有较低的氧含量（30.6 wt%）和较高的热值（26.61 MJ/kg）。本研究强调了RS生物质富SiO2灰分催化剂在生产优质生物油方面的潜力。

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引用次数: 0

Advancing carbon dioxide capture from combustion tail gas: System development and parametric insights 推进二氧化碳捕获从燃烧尾气：系统开发和参数化的见解

IF 6.2 2区工程技术 Q2 ENERGY & FUELS

Journal of The Energy Institute

Pub Date : 2026-02-01 Epub Date: 2025-12-10 DOI: 10.1016/j.joei.2025.102407

Chanathip Hongkhamdee , Vikas Verma , Wei-Cheng Wang , Akhmad Faruq Alhikami , Yan-Jie Huang , Rusdan Aditya Aji Nugroho

In this study, a carbon dioxide (CO₂) capture system was developed using activated carbon derived from phenolic resin, featuring a high microporous surface area of 1100 m²/g and a pore volume of 0.59 cm³/g, for the dynamic adsorption of simulated combustion tail gases. An aerodynamic rectifier system was integrated to stabilize inlet flow and enable accurate breakthrough curve analysis, facilitating the calculation of adsorption capacities. The effects of temperature (27–70 °C), adsorption pressure (1–15 bar), CO₂ inlet concentration (3–18 vol%), and flow rate (10–30 cm³/min) on CO₂ adsorption were systematically investigated. Results showed that CO₂ adsorption capacity increased significantly at low temperatures, high pressures, and elevated inlet CO₂ concentrations, reaching a maximum of 28.09 mmol/g under optimized conditions of 27 °C, 15 bar, 18 vol% CO₂, and 20 cm³/min flow rate. Optimization using the Taguchi method revealed that adsorption pressure and CO₂ concentration were the most influential parameters, with performance improvements of up to 5.4 % over pre-optimized conditions. Comparative analysis with water caltrop shell-derived activated carbon (adsorption capacity = 17.98 mmol/g) confirmed the superior performance of the phenolic resin-based material, attributed to its enhanced microporous structure. The integration of aerodynamic rectification with Taguchi optimization represents a novel approach to improving dynamic CO₂ adsorption processes. These findings provide a quantitative framework for the design of scalable, efficient post-combustion CO₂ capture systems and contribute to ongoing efforts toward industrial decarbonization.

本研究利用酚醛树脂衍生的活性炭开发了二氧化碳（CO2）捕集系统，该系统具有高微孔表面积为1100 m2/g，孔体积为0.59 cm3/g，用于动态吸附模拟燃烧尾气。集成了气动整流系统，稳定了进口气流，实现了精确的突破曲线分析，方便了吸附能力的计算。系统考察了温度（27 ~ 70℃）、吸附压力（1 ~ 15 bar）、CO2进口浓度（3 ~ 18 vol%）和流量（10 ~ 30 cm3/min）对CO2吸附的影响。结果表明，在低温、高压和提高进口CO2浓度条件下，CO2吸附量显著增加，在27℃、15 bar、18 vol% CO2和20 cm3/min流量条件下，吸附量最大，达到28.09 mmol/g。利用Taguchi方法进行优化，结果表明吸附压力和CO2浓度是影响最大的参数，与优化前的条件相比，性能提高了5.4%。通过与吸附量为17.98 mmol/g的菱角壳源活性炭的对比分析，证实了酚醛树脂基材料的优越性能，这主要归功于其增强的微孔结构。将气动整流与田口优化相结合，是改善动态CO2吸附过程的一种新方法。这些发现为设计可扩展的、高效的燃烧后二氧化碳捕获系统提供了定量框架，并有助于实现工业脱碳的持续努力。

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引用次数: 0

Unveiling the conversion mechanisms of NO and N2O in ammonia blending combustion under high pressure, oxygen enrichment, and H2O addition conditions 揭示了高压、富氧、加水条件下氨水混合燃烧中NO和N2O的转化机理

IF 6.2 2区工程技术 Q2 ENERGY & FUELS

Journal of The Energy Institute

Pub Date : 2026-02-01 Epub Date: 2025-12-09 DOI: 10.1016/j.joei.2025.102405

Yuzheng Gao , Zhijie Liu , Youping Li , Shixuan Yang , Han Jiang , Huayang Zhao , Yiran Zhang , He Lin

During the co-combustion of ammonia and carbon-containing fuels, toxic nitrogenous species such as N₂O and NO are formed. However, the formation and conversion mechanisms of these pollutants in ammonia co-combustion processes remain insufficiently understood, hindering the advancement and practical application of ammonia-fueled energy systems. In this study, ReaxFF molecular dynamics simulations combined with chemical kinetic analysis were employed to investigate the formation and conversion mechanisms of NO and N₂O over the temperature range of 700K–1400K. This study highlights the critical role of NH in the conversion processes of NO and N₂O. Three primary pathways for the conversion of NO and N₂O are proposed: (i) direct interconversion between NO and N₂O; (ii) conversion driven by precursor concentrations; (iii) competition between oxidation pathways regulated by C-N interactions. All of these pathways are facilitated by the reaction NH + CO₂ = HNO + CO. Additionally, different fuel types inhibit the formation and conversion of NO and N₂O through distinct mechanistic pathways. In pure ammonia combustion, direct NO and N₂O conversion is primarily suppressed under high-pressure conditions; in NH₃-DME combustion, suppression occurs mainly via water addition; in NH₃-CH₄ combustion, inhibition is predominantly achieved by limiting precursor formation under oxygen-rich conditions; and in NH₃-CH₃OH combustion, direct NO and N₂O conversion is primarily restrained under the synergistic effects of high temperature and high pressure. It provides a theoretical foundation for achieving synergistic pollutant inhibition across temperature domains in ammonia-based combustion systems operating under variable loads and with multiple fuels.

氨与含碳燃料共燃烧时，会形成N2O、NO等有毒含氮物质。然而，这些污染物在氨共燃过程中的形成和转化机制尚不清楚，阻碍了氨燃料能源系统的发展和实际应用。本研究采用ReaxFF分子动力学模拟和化学动力学分析相结合的方法，研究了在700K-1400K温度范围内NO和N2O的形成和转化机理。本研究强调了NH在NO和N2O转化过程中的关键作用。本文提出了NO和N2O转化的三种主要途径：(i) NO和N2O之间的直接相互转化；由前体浓度驱动的转化；（iii）由碳氮相互作用调控的氧化途径之间的竞争。NH + CO2 = HNO + CO的反应促进了这些途径的形成，不同的燃料类型通过不同的机制途径抑制NO和N2O的形成和转化。在纯氨燃烧中，高压条件下主要抑制NO和N2O的直接转化；NH3-DME燃烧主要通过加水抑制；在NH3-CH4燃烧过程中，抑制作用主要通过富氧条件下限制前驱体的形成来实现；在NH3-CH3OH燃烧过程中，高温高压的协同作用主要抑制NO和N2O的直接转化。它为在变负荷和多种燃料下运行的氨基燃烧系统中实现跨温度域的协同污染物抑制提供了理论基础。

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引用次数: 0

Combined visible and infrared spectral detection for soot, H2O, and CO2 in hydrogen-blended methane flame 氢混合甲烷火焰中烟尘、H2O和CO2的可见光和红外光谱联合检测

IF 6.2 2区工程技术 Q2 ENERGY & FUELS

Journal of The Energy Institute

Pub Date : 2026-02-01 Epub Date: 2025-10-22 DOI: 10.1016/j.joei.2025.102352

Ke Chang , Meng Liu , Hang Yu, Zixue Luo, Qiang Cheng

The introduction of hydrogen regulates the formation process of combustion products in methane flames, but existing detection technologies still face challenges in simultaneously quantifying the temperature and concentration of gas-phase and solid-phase components. In this study, a combined visible and infrared spectroscopy detection method is proposed to simultaneously reconstruct the concentration of gas-solid components and temperature within the flame. The soot and temperature distributions are reconstructed from the visible radiation intensity image of the flame, while the concentration distributions of H₂O and CO₂ are reconstructed by using the radiation intensity images from the H₂O and CO₂ separate absorption and co-absorption bands in the infrared spectrum, after subtracting the radiation contribution from the soot. To validate the proposed method, a hydrogen-blended methane laminar diffusion flame is examined. The reconstruction results for soot volume fraction and flame temperature are verified using laser extinction and thermocouple measurements, respectively. Additionally, the results derived from the two infrared reconstruction schemes are compared and analyzed, with the discrepancy between them maintained within 6 %. Results indicate that hydrogen blending slightly reduces the flame temperature while significantly diminishing soot production. When the hydrogen blending ratio is 50 %, the average flame temperature decreases from 1410 K to 1205 K, and soot volume fraction is only about one-tenth of that under pure methane conditions. Moreover, hydrogen blending suppresses CO₂ formation and enhances H₂O production, with the peak H₂O concentration increasing by 18.4 % and the peak CO₂ concentration decreasing to 81.24 % at 50 % hydrogen blending.

氢气的引入调节了甲烷火焰中燃烧产物的形成过程，但现有的检测技术在同时量化气相和固相组分的温度和浓度方面仍然面临挑战。本研究提出了一种可见光和红外光谱相结合的检测方法，可以同时重建火焰内气固成分的浓度和温度。利用火焰的可见光辐射强度图像重建烟尘和温度分布，利用红外光谱中H2O和CO2分离吸收和共吸收波段的辐射强度图像，减去烟尘的辐射贡献，重建H2O和CO2的浓度分布。为了验证所提出的方法，对混合氢甲烷层流扩散火焰进行了实验。利用激光消光和热电偶测量分别验证了烟尘体积分数和火焰温度的重建结果。并对两种红外重建方案的结果进行了对比分析，两者的误差保持在6%以内。结果表明，掺氢能略微降低火焰温度，同时显著减少烟尘的产生。当氢掺比为50%时，平均火焰温度从1410 K降至1205 K，烟尘体积分数仅为纯甲烷条件下的十分之一左右。掺氢抑制了CO2的生成，提高了H2O的生成，掺氢50%时，H2O的峰值浓度提高了18.4%，CO2的峰值浓度降低到81.24%。

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引用次数: 0

Different anions of potassium salts render distinct capability for creating pore structures in activation of cellulose and lignin 在纤维素和木质素活化过程中，不同的钾盐阴离子对形成孔隙结构的能力不同

IF 6.2 2区工程技术 Q2 ENERGY & FUELS

Journal of The Energy Institute

Pub Date : 2026-02-01 Epub Date: 2025-12-16 DOI: 10.1016/j.joei.2025.102423

Chao Li , Xiaojun Zheng , Jingyu Zhang , Guoming Gao , Yunyu Guo , Yuewen Shao , Shu Zhang , Tao Wei , Yi Wang , Xun Hu

Several potassium salts such as KOH, K₂C₂O_4, and K₂CO₃ are capable to activate biomass to form activated carbon (AC) with developed pore structures, but their different anions render their unique decomposition kinetics or pathways, affecting their capability for generating pores. Such differences were investigated herein by conducting the activation of cellulose and lignin at 800 °C. The results showed that KOH was superior to K₂C₂O₄ or K₂CO₃ for creating pore structures in activation of cellulose (1507.8 m²/g with KOH versus 1180.5 m²/g with K₂C₂O₄ or 1307.7 m²/g with K₂CO₃) or lignin (1109.1 versus 583.4 or 873.2 m²/g). This was due to rapidly releasing K⁺ and OH⁻ from KOH at lower temperature, which enhanced severity of cracking reactions, diminishing yields of AC (i.e. 10.3 % with KOH versus 18.1 % with K₂C₂O₄ in cellulose activation) as well as aliphatic organics and phenolics in bio-oil. K₂C₂O₄ and K₂CO₃ exhibited delayed K⁺ availability from their stepwise decomposition behaviors, suppressing early-stage cracking/gasification and forming higher yields of AC with limited pore development. In-situ IR revealed that KOH was more active in promoting dehydration/deoxygenation, while slow kinetics for K⁺ release from K₂C₂O₄/K₂CO₃ preserved more oxygen-containing functionalities in the resulting AC. Additionally, cellulose of aliphatic nature enabled superior potassium permeation, intensifying etching through synergistic cracking/gasification, forming AC of higher S_BET but lower yields than that from lignin of aromatic nature.

KOH、K2C2O4和K2CO3等几种钾盐都能激活生物质形成具有发达孔隙结构的活性炭（AC），但它们的阴离子不同，导致它们的分解动力学或途径不同，影响了它们生成孔隙的能力。本文通过在800℃下对纤维素和木质素进行活化来研究这些差异。结果表明，KOH对纤维素（1507.8 m2/g， K2C2O4为1180.5 m2/g， K2CO3为1307.7 m2/g）或木质素（1109.1 m2/g， K2C2O4为583.4 m2/g， K2CO3为873.2 m2/g）的活化孔隙结构的形成优于K2C2O4或K2CO3。这是由于在较低温度下KOH快速释放K+和OH−，这增加了裂解反应的严重程度，降低了AC的收率（即在纤维素活化中KOH为10.3%，而K2C2O4为18.1%）以及生物油中的脂肪族有机物和酚类物质。K2C2O4和K2CO3的分步分解行为延迟了K+可用性，抑制了早期裂解/气化，在有限孔隙发育的条件下形成了更高的AC收率。原位红外分析表明，KOH在促进脱水/脱氧过程中更活跃，而K2C2O4/K2CO3释放K+的缓慢动力学保留了AC中更多的含氧功能。此外，脂肪族纤维素具有更好的钾渗透能力，通过协同裂解/气化强化蚀刻，形成的AC比芳香性质的木质素具有更高的SBET，但产率较低。

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引用次数: 0

Study on NO emission mechanism of CH4-NH3 blended combustion based on air-classification strategy 基于空气分级策略的CH4-NH3混合燃烧NO排放机理研究

IF 6.2 2区工程技术 Q2 ENERGY & FUELS

Journal of The Energy Institute

Pub Date : 2026-02-01 Epub Date: 2025-12-10 DOI: 10.1016/j.joei.2025.102414

Tianxing Zhou, Dongliang Wei, Huaan Li, Hao Zhou

As environmental pollution issues become increasingly severe, controlling nitrogen oxide (NOx) emissions during combustion has emerged as a key research focus. This study investigates the effects of air-staging strategies on methane-ammonia blended combustion flames and NOx emission mechanisms through a combination of experimental and simulation approaches. Results indicate that staged air combustion effectively reduces NO emissions, particularly at a staging ratio of 30 %, where NO emissions decrease by 85.4 %. However, staging ratios exceeding 30 % may compromise flame stability and even increase NO emissions. NO emissions are effectively controlled by maintaining an enriched combustion state in the primary combustion zone, thereby reducing NO formation via the HNO pathway and enhancing NO consumption via the NHi pathway. The optimised staged ratio is 36 %; exceeding this value may cause significant NO production in the secondary combustion zone. Furthermore, the chemical reactor network model further reveals the primary reaction pathways for NO emissions, confirming the positive effect of increasing primary combustion zone residence time on reducing NO emissions.

随着环境污染问题的日益严重，控制燃烧过程中氮氧化物（NOx）的排放已成为一个重要的研究热点。本研究通过实验和模拟相结合的方法，研究了空气分级策略对甲烷-氨混合燃烧火焰的影响以及NOx排放机制。结果表明，分级空气燃烧可有效降低NO排放，特别是分级比例为30%时，NO排放量减少85.4%。然而，分级比超过30%可能会损害火焰稳定性，甚至增加NO排放。通过维持一次燃烧区的富集燃烧状态，有效控制NO的排放，从而减少通过HNO途径生成NO，并通过NHi途径增加NO的消耗。优化后的分级比为36%；超过这个值可能会导致二次燃烧区产生大量的NO。此外，化学反应器网络模型进一步揭示了NO排放的主要反应途径，证实了增加一次燃烧区停留时间对减少NO排放的积极作用。

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引用次数: 0

Experimental study on chemiluminescence characteristics of ammonia/methane partially premixed swirling flames 氨/甲烷部分预混旋转火焰化学发光特性的实验研究

IF 6.2 2区工程技术 Q2 ENERGY & FUELS

Journal of The Energy Institute

Pub Date : 2026-02-01 Epub Date: 2025-10-15 DOI: 10.1016/j.joei.2025.102336

Liqiao Jiang , Haihang Su

Understanding the complex chemiluminescence characteristics of ammonia/methane partially premixed flames is crucial for developing optical diagnostic sensors, yet it remains insufficiently investigated. This study experimentally examines the combustion characteristics of ammonia/methane partially premixed swirling flames with spectral analysis and key excited radical imaging of flame chemiluminescence signals. The effects of both the global equivalence ratio (φ) and the ammonia blending ratio (X_NH3) on flame chemiluminescence characteristics were explored. The results demonstrate that in weak turbulent swirling flames, the flame chemiluminescence spectra exhibit pronounced distinctions between the 280–400 nm ultraviolet (UV) band and the 400–800 nm visible band. With increasing X_NH3, the chemiluminescence intensity decreases in the UV range while concurrently enhancing in the visible spectrum. Notably, the flame background radiation displays a similar trend. The integrated chemiluminescence intensities of key radicals (OH∗, NH∗, CN∗, CH∗, and NH₂∗) exhibit a non-monotonic trend with φ, namely initially increasing before peak value and subsequently decreasing. Additionally, OH∗, CN∗, and CH∗ chemiluminescence intensities diminish with the increase of X_NH3, whereas NH₂∗ displays an opposing trend of intensity enhancement under the same conditions. The intensity ratios of CH∗/OH∗, NH₂∗/OH∗, and NH₂∗/CH∗ are sensitive to changes in φ and X_NH3. Specifically, the NH₂∗/CH∗ can be the markers of φ and X_NH3 due to the monotonically varying trend. The flame dynamic characteristics can be represented by the fluctuated chemiluminescence intensity of excited radicals such as OH∗ and NH∗. It demonstrates a significantly quantitative correlation between NO emission and normalized chemiluminescence intensities (OH∗/NH∗/CN∗/CH∗/NH₂∗) in present experimental conditions. The findings provide critical insights for developing chemiluminescence diagnostic strategies in ammonia/methane combustion applications.

了解氨/甲烷部分预混火焰复杂的化学发光特性对于开发光学诊断传感器至关重要，但这方面的研究还不够充分。通过光谱分析和火焰化学发光信号的关键激发自由基成像，对氨/甲烷部分预混旋转火焰的燃烧特性进行了实验研究。考察了整体等效比（φ）和掺氨比（XNH3）对火焰化学发光特性的影响。结果表明，在弱湍流旋转火焰中，火焰化学发光光谱在280 ~ 400 nm紫外波段和400 ~ 800 nm可见光波段之间表现出明显的差异。随着XNH3的增加，紫外光谱的化学发光强度降低，可见光谱的化学发光强度增强。值得注意的是，火焰背景辐射也表现出类似的趋势。关键自由基（OH∗,NH∗,CN∗，CH∗和NH2∗）的综合化学发光强度随φ的增大呈现出一种非单调的趋势，即在达到峰值前先增大后减小。此外，OH∗、CN∗和CH∗的化学发光强度随XNH3浓度的增加而降低，而在相同条件下NH2∗的化学发光强度则呈现相反的增强趋势。CH∗/OH∗、NH2∗/OH∗和NH2∗/CH∗的强度比对φ和XNH3的变化敏感。其中，NH2∗/CH∗可以作为φ和XNH3的单调变化趋势的标志。火焰的动态特性可以用OH *和NH *等激发态自由基的化学发光强度波动来表示。在目前的实验条件下，NO发射与归一化化学发光强度（OH∗/NH∗/CN∗/CH∗/NH2∗）之间存在显著的定量相关性。这些发现为开发氨/甲烷燃烧应用中的化学发光诊断策略提供了重要见解。

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