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The impact of exhaust gas recirculation calibration on emissions and efficiency with GTL and GTLB30 fuels on a heavy-duty diesel engine 重型柴油发动机使用 GTL 和 GTLB30 燃料时废气再循环标定对排放和效率的影响
IF 6.7 1区 工程技术 Q2 ENERGY & FUELS Pub Date : 2024-11-12 DOI: 10.1016/j.fuel.2024.133709
Zhongcheng Sun , Benjamin Haefele , Michel Cuijpers , Noud Maes , Bart Somers
A gas-to-liquid (GTL) fuel and its blend with 30% fatty acid methyl esters (GTLB30), as well as reference diesel have been investigated on a modified single-cylinder heavy-duty compression-ignition engine over a large part of the engine operation map. The experimental results indicate that GTL and GTLB30 demonstrate comparable in-cylinder pressure and rates of heat release (ROHR) trends to diesel throughout the operating map. In general, the ROHR of GTL is close to diesel, albeit with a heightened sensitivity to exhaust gas recirculation (EGR) variations. In this work, these variations were 15% above and below baseline values. Meanwhile, the ROHR of GTLB30 is less sensitive to EGR variations because of its inherent higher oxygen content, but this comes at a small penalty in fuel injection duration due to its reduced LHV. Generally, Both GTL and GTLB30 exhibit shorter ignition delay and burn duration compared to diesel. Additionally, GTL achieves higher gross indicated efficiency (GIE) with a weighted average increase of 2.04% over diesel across all baseline engine operation map, while GTLB30 has slightly lower GIE than diesel in most cases, with a weighted average decrease of 0.99%. In terms of emissions, GTL and GTLB30 follow a similar trend with remarkable low particulate matter (PM) emissions, especially at higher EGR ratios (above 35%). Using baseline EGR rates, both GTL and GTLB30 demonstrate significant reductions in engine-out PM emissions, with a weighted average reduction of 34.5% for GTL and 71.5% for GTLB30 compared to diesel across the entire engine operation map. Moreover, GTL illustrates significant potential in breaking the PM-NOx trade-off relationship, with a 16.1% weighted average reduction in NOx emissions compared to diesel at the baseline EGR calibration. Conversely, the NOx emissions of GTLB30 show a weighted average increase of 8.3% (again at the baseline EGR calibration), which can be reduced with increasing EGR. Furthermore, GTLB30 exhibits minimal CO emissions, without any sensitivity to changes in EGR, while both GTL and GTLB30 benefit from a THC emission reduction. Notably, the CO and THC emissions of GTL and GTLB30 show possible compliance in most operating points with Euro V regulation without after-treatment. Finally, NOx reduction across all operating points is possible while respecting Euro VI PM limits for both GTL and GTLB30 by utilizing higher EGR levels at A30, A50, B50, and B70 versus lower EGR values for B30 and C30. The exact magnitude of these EGR levels per operating point are given in a bar-chart based on a non-linear curve fitting procedure, resulting in a weighted average NOx reduction of 38.3% and 68.7% across the tested speed-load range for GTL and GTLB30, respectively.
在一台改装的单缸重型压燃式发动机上,对一种气变液(GTL)燃料及其与 30% 脂肪酸甲酯的混合燃料(GTLB30)以及参考柴油进行了研究,研究范围覆盖了发动机运行图的大部分区域。实验结果表明,GTL 和 GTLB30 在整个运行曲线图上表现出与柴油相当的缸内压力和热释放率(ROHR)趋势。总体而言,GTL 的 ROHR 接近柴油,但对废气再循环(EGR)变化的敏感性更高。在这项工作中,这些变化比基准值高出或低出 15%。同时,由于 GTLB30 本身含氧量较高,因此其 ROHR 对 EGR 变化的敏感性较低,但由于其 LHV 较低,因此在燃料喷射持续时间方面会略有损失。一般来说,与柴油相比,GTL 和 GTLB30 的点火延迟和燃烧持续时间都更短。此外,在所有基线发动机运行图中,GTL 实现了更高的总指示效率(GIE),比柴油加权平均提高了 2.04%,而 GTLB30 在大多数情况下的 GIE 比柴油略低,加权平均降低了 0.99%。在排放方面,GTL 和 GTLB30 的趋势相似,颗粒物(PM)排放量都很低,尤其是在 EGR 比率较高(35% 以上)的情况下。使用基准 EGR 率时,GTL 和 GTLB30 都能显著减少发动机排放的 PM,在整个发动机运行图中,GTL 和 GTLB30 与柴油相比,加权平均减少 34.5%,GTLB30 减少 71.5%。此外,GTL 在打破 PM-NOx 权衡关系方面具有巨大潜力,在基准 EGR 标定时,与柴油相比,NOx 排放加权平均减少了 16.1%。相反,GTLB30 的氮氧化物排放量加权平均增加了 8.3%(同样是在基准 EGR 校准时),这可以通过增加 EGR 来减少。此外,GTLB30 的一氧化碳排放量最小,对 EGR 的变化不敏感,而 GTL 和 GTLB30 都受益于 THC 排放量的减少。值得注意的是,GTL 和 GTLB30 的一氧化碳和四氢大麻酚排放量表明,在大多数工作点,无需后处理就能符合欧 V 法规。最后,通过在 A30、A50、B50 和 B70 采用较高的 EGR 水平,而在 B30 和 C30 采用较低的 EGR 值,GTL 和 GTLB30 可以在所有运行点减少氮氧化物,同时遵守欧 VI PM 限制。基于非线性曲线拟合程序的条形图给出了每个工作点 EGR 水平的确切大小,结果是 GTL 和 GTLB30 在测试的速度-负荷范围内的加权平均氮氧化物减排量分别为 38.3% 和 68.7%。
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引用次数: 0
Co-gasification of glycerol and linear low density polyethylene (LLDPE) for syngas production: A thermodynamic targeting approach 甘油和线性低密度聚乙烯(LLDPE)共气化生产合成气:热力学目标方法
IF 6.7 1区 工程技术 Q2 ENERGY & FUELS Pub Date : 2024-11-12 DOI: 10.1016/j.fuel.2024.133648
Bahizire Martin Mukeru, Bilal Patel
The co-gasification of different wastes for syngas production is a promising technology as it reduces pressure on waste management and promotes waste valorization. This paper considered the steam co-gasification of glycerol and linear low density polyethylene plastic (LLDPE) waste to produce syngas. To achieve this, a graphical targeting approach based on carbon, hydrogen, oxygen (CHO) ternary diagrams was used to determine the impact of different operating parameters (pressure, temperature and LLDPE content) on syngas composition. It was determined that an increase in pressure decreased H2 and CO content but increased the content of CH4, CO2 and H2O. It was also determined that increasing the LLDPE content increased H2 and CH4 concentration, but decreased CO, CO2 and H2O concentration. The synergistic interaction of the feedstocks on the syngas ratio and lower heating value (LHV) was also determined. Results revealed that increasing the pressure decreased the synergistic effect. Furthermore, an Aspen Plus simulation was performed at different steam to feedstock ratios (SFR) and at 1000 K and 1 bar. The highest positive extent of synergy in terms of LHV, syngas yield (SY), carbon conversion efficiency (CCE) and cold gas efficiency (CGE) of 8.29 %, 21.51 %, 23.38 % and 23.81 % was achieved at LLDPE content of 50 % and SFR of 0.8, 1, 0.8 and 0.8 respectively. At these operating conditions the value of LHV, SY, CCE and CGE was found to 11.63 MJ/Nm3, 3.22 Nm3/kg, 95 % and 64 % respectively.
不同废物共气化生产合成气是一项很有前景的技术,因为它可以减轻废物管理的压力,促进废物的价值化。本文研究了甘油和线性低密度聚乙烯塑料(LLDPE)废料的蒸汽共气化生产合成气。为此,采用了基于碳、氢、氧(CHO)三元图的图形定位方法,以确定不同操作参数(压力、温度和 LLDPE 含量)对合成气成分的影响。结果表明,压力增加会降低 H2 和 CO 的含量,但会增加 CH4、CO2 和 H2O 的含量。同时还确定,增加 LLDPE 含量会增加 H2 和 CH4 的浓度,但会降低 CO、CO2 和 H2O 的浓度。此外,还确定了原料对合成气比率和较低热值(LHV)的协同作用。结果显示,增加压力会降低协同效应。此外,还在不同的蒸汽与原料比(SFR)以及 1000 K 和 1 bar 的条件下进行了 Aspen Plus 模拟。在 LLDPE 含量为 50%、SFR 分别为 0.8、1、0.8 和 0.8 时,协同效应的积极程度最高,LHV、合成气产量 (SY)、碳转化效率 (CCE) 和冷气效率 (CGE) 分别为 8.29 %、21.51 %、23.38 % 和 23.81 %。在这些操作条件下,LHV、SY、CCE 和 CGE 值分别为 11.63 MJ/Nm3、3.22 Nm3/kg、95 % 和 64 %。
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引用次数: 0
Modelling smothering extinction of buoyancy-driven smoldering combustion: Determination criteria and kinetic controlling mechanism 浮力驱动闷烧的闷灭模型:确定标准和动力学控制机制
IF 6.7 1区 工程技术 Q2 ENERGY & FUELS Pub Date : 2024-11-12 DOI: 10.1016/j.fuel.2024.133652
Renkun Dai, Zeyang Song, Boyuan Dang, Jun Deng
Modelling extinction of combustion is vital for understanding the extinction criteria and governing mechanism. However, it remains a challenging task for buoyancy-driven smoldering combustion because of dynamic transitions between kinetic and oxygen-transport limiting regimes and intricate couplings of buoyancy-driven air flow and smoldering combustion. In the present study, the kinetic/oxygen-transport limiting regime transitions are resolved with a minimum function between the Arrhenius kinetics and oxygen supply rate in oxidative source/sink terms. Besides, the global energy balance is improved for buoyancy-driven smoldering system to elucidate the interactions between buoyancy-driven air flow and smoldering combustion. The present model is validated by a variety of experiments on smoldering propagation until extinction of buoyancy-driven underground coal smoldering fires. Results show that the extinction of buoyancy-driven underground coal smoldering fires can be determined by two criteria: (1) the net energy rate < 0 with the global energy balance concept, and (2) the minimum oxygen supply rate < 0.48 g m2 s−1, which is about six times larger than that for peat smoldering with forced air flow. Under harsh conditions with limited oxygen supply, the coexistence of the local oxygen-transport limiting regime and the local kinetic regime is observed. If the extinction criteria are satisfied, this coexistence shifts to the local kinetic regime and leads to extinction, otherwise it shifts to the local oxygen-transport limiting regime and results in self-sustained smoldering propagation. It reveals the evolution of governing mechanism in smoldering combustion near extinction and provides solid evidence confirming the hypothesis that kinetic mechanism dominates the extinction.
模拟燃烧的熄灭对于理解熄灭标准和支配机制至关重要。然而,对于浮力驱动的熄灭燃烧来说,这仍然是一项具有挑战性的任务,因为在动力学和氧气传输极限状态之间存在动态转换,而且浮力驱动的气流和熄灭燃烧之间存在错综复杂的耦合关系。在本研究中,利用阿伦尼乌斯动力学和氧化源/汇条件下的供氧速率之间的最小函数,解决了动力学/氧传输限制状态的转换问题。此外,还改进了浮力驱动燃烧系统的全局能量平衡,以阐明浮力驱动气流与燃烧之间的相互作用。本模型通过对浮力驱动的地下煤炭焚烧火的焚烧传播直至熄灭的各种实验进行了验证。结果表明,浮力驱动的地下煤炭熏火的熄灭可以通过两个标准来确定:(1)采用全球能量平衡概念的净能量率< 0;(2)最小供氧量< 0.48 g m2 s-1,该供氧率约为强制气流条件下泥炭燃烧供氧量的六倍。在氧气供应有限的恶劣条件下,可以观察到局部氧气传输限制机制和局部动力学机制共存。如果满足熄灭标准,这种共存状态就会转变为局部动力学状态并导致熄灭,否则就会转变为局部氧-传输限制状态并导致自持燃烧传播。它揭示了临近熄灭时烟熏燃烧的支配机制演变,并提供了确凿证据,证实了动力学机制主导熄灭的假说。
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引用次数: 0
Cool flame of methylcyclohexene isomers in a JSR: Formation of aromatic and polyunsaturated hydrocarbons 甲基环己烯异构体在 JSR 中的冷焰:芳香烃和多不饱和烃的形成
IF 6.7 1区 工程技术 Q2 ENERGY & FUELS Pub Date : 2024-11-12 DOI: 10.1016/j.fuel.2024.133644
Zahraa Dbouk , Roland Benoit , Bakr Hoblos , Nesrine Belhadj , Philippe Dagaut
Three isomers of methycyclohexene were oxidized in a jet-stirred reactor at 10 bar, in fuel-lean conditions (equivalence ratio of 0.5), from 500 to 1150 K. Samples of the reacting mixtures (fuel-oxygen–nitrogen) taken using a sonic fused-silica probe were collected and (i) analyzed by gas chromatography and (ii) for the conditions 620 and 680 K, dissolved in acetonitrile and analyzed by ultra-high performance liquid chromatography and Orbitrap mass spectrometry after direct flow injection or liquid chromatography separation. OH/OD exchange was used by adding D2O to samples to assess the presence of OH or OOH in products. The reaction with 2,4-dinitrophenylhydrazine allowed the characterizing carbonyl functional groups in the products. A large dataset of oxidation products was observed. Besides highly oxygenated compounds, we observed the production of polyunsaturated and aromatic products in the cool flame oxidation regime. To rationalize the present results, we used chemometric tools, i.e., Van Krevelen plots, calculated oxidation state of carbon, aromaticity index, and aromaticity equivalent index for oxidation products.
在 10 巴的喷射搅拌反应器中,在 500 至 1150 K 的燃料贫乏条件下(等效比为 0.5),氧化了甲基环己烯的三种异构体。使用声波熔融石英探针采集反应混合物(燃料-氧气-氮气)的样品,(i) 用气相色谱法进行分析;(ii) 在 620 和 680 K 的条件下,将样品溶解在乙腈中,在直接流动进样或液相色谱分离后用超高效液相色谱法和 Orbitrap 质谱法进行分析。通过向样品中添加 D2O 来进行 OH/OD 交换,以评估产物中是否存在 OH 或 OOH。通过与 2,4-二硝基苯肼反应,可以确定产物中羰基官能团的特征。我们观察到了大量的氧化产物数据集。除了高含氧化合物外,我们还观察到在冷焰氧化条件下产生的多不饱和和芳香产物。为了使目前的结果合理化,我们使用了化学计量学工具,即 Van Krevelen 图、氧化产物的碳氧化态计算值、芳香指数和芳香当量指数。
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引用次数: 0
Multiple representative interactive linear eddy model: Investigation of turbulence chemistry interaction and evaluation of progress variable definition and PDFs 多代表交互线性涡模型:湍流化学交互作用调查以及进展变量定义和 PDF 的评估
IF 6.7 1区 工程技术 Q2 ENERGY & FUELS Pub Date : 2024-11-12 DOI: 10.1016/j.fuel.2024.133445
Nidal Doubiani , Michael Oevermann
Improving the predictions of unsteady effects in combustion processes requires novel combustion models that include turbulence chemistry interaction effects. The Multiple Representative Interactive Linear Eddy Model (MRILEM) is an improved version of the previous RILEM variant. MRILEM utilizes a pressure coupling instead of a volume constraint to intrinsically include heat effects into the LEM line with no supplementary modeling. In addition, it advances multiple LEM lines in parallel to improve statistical fidelity. The pressure coupling of MRILEM generates a coupling effect between the LEM lines that assists in communicating the combustion process between the lines. The ”Spray-B” engine of the Engine Combustion Network (ECN) was simulated using MRILEM. While the original RILEM variation employs a straightforward Dirac δ-peak for the progress variable, a realistic PDF requires this function to extend over the entire space. The introduced MRILEM compares the utilization of two progress variable PDFs, namely a step function defined based on the mean and a β-PDF generated from the progress variable mean and variance. The progress variable variance was calculated based on the Pierce and Moin formulation with a RANS adaptation based on the integral length scale. In addition, two definitions of the progress variable are investigated, namely O2 and h298. A tabulation method is introduced for RILEM to reduce the computational time by advancing pre-generated LEM solution matrices constructed in mixture fraction Z and progress variable c spaces. The different variants of the model, i.e., MRILEM-βZ-Stepc, MRILEM-βZ-βc, TRILEM-βZ-Stepc, and TRILEM-βZ-βc were compared against experiments based on heat release rate, ignition delay, flame lift-off, and computational time.
要改进燃烧过程中的非稳态效应预测,需要建立包含湍流化学交互效应的新型燃烧模型。多代表交互线性涡流模型(MRILEM)是先前 RILEM 变体的改进版本。MRILEM 利用压力耦合而不是体积约束,将热效应内在地纳入线性涡流模型中,而无需补充建模。此外,它还能并行推进多条 LEM 线路,以提高统计保真度。MRILEM 的压力耦合在 LEM 管路之间产生耦合效应,有助于在管路之间传递燃烧过程。发动机燃烧网络(ECN)的 "Spray-B "发动机是用 MRILEM 模拟的。虽然最初的 RILEM 变体采用了直接的 Dirac δ 峰作为进度变量,但现实的 PDF 要求该函数扩展到整个空间。引入的 MRILEM 比较了两个进度变量 PDF 的使用情况,即基于平均值定义的阶跃函数和由进度变量平均值和方差生成的 β-PDF 。进度变量方差的计算基于 Pierce 和 Moin 公式,并根据积分长度尺度对 RANS 进行了调整。此外,还研究了进度变量的两种定义,即 O2 和 h298。为 RILEM 引入了一种制表方法,通过推进在混合物分数 Z 和进展变量 c 空间中构建的预生成 LEM 解矩阵来减少计算时间。该模型的不同变体,即 MRILEM-βZ-Stepc、MRILEM-βZ-βc、TRILEM-βZ-Stepc 和 TRILEM-βZ-βc,根据热释放率、点火延迟、火焰腾空和计算时间与实验进行了比较。
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引用次数: 0
Lignin-derived 4-methylanisole hydrodeoxygenation under mild conditions over ruthenium phosphide carbon nanosphere catalyst 木质素衍生的 4-甲基苯甲醚在温和条件下通过磷化钌纳米碳催化剂进行加氢脱氧反应
IF 6.7 1区 工程技术 Q2 ENERGY & FUELS Pub Date : 2024-11-12 DOI: 10.1016/j.fuel.2024.133661
Sudhakar Pichaikaran, Zhongzheng Gao, Kai Li, Bo Wang
(1:1), (1:3), and (1:5) RuP@C-N carbon nanosphere catalysts were synthesized by in situ method using a hydrothermal, carbonization, and reduction strategy with tannic acid as the biomass carbon source. The synthesized materials were well described using several instrumental methods, including XRD, which revealed ruthenium phosphide phase formation as well as graphitic carbon. BET surface area and BJH pore size distribution revealed that the materials had multiple meso and micropores. XPS measurements assess the oxidation states and bonding interaction between the carbon nanosphere and RuP in the catalyst. FE-SEM validates the material’s spherical morphology, whereas EDS mapping reveals the presence of Ru, P, C, O, and N. HR-TEM images reveal the high distribution of RuP particles on the carbon network. The induction of C and N in the catalyst impacted electron transport between ruthenium and phosphorus as evidenced by XPS analysis, leading to Ruδ+/Pδ- active sites responsible for C-O bond breakage. Additionally, the high dispersion and small particle size of ruthenium phosphide in the carbon spheres, as well as its acidity, had a significant impact on its high activity. The study investigated the hydrodeoxygenation (HDO) of 4-methylanisole under mild reaction conditions, with isopropanol as a hydrogen donor. The optimal conditions were 180 °C and 4 h, and for the (1:3) RuP@C-N catalyst, a maximum of 4-methylanisole conversion was 42.5 %, and a toluene selectivity of 21.5 % was reached at TOF 45.35 h−1. The (1:3) RuP@C-N catalyst was the most active, while the (1:5) RuP@C-N catalyst with a high P concentration had no added effect on activity. Demethylation/hydrogenolysis was the most selective reaction pathway for 4-methylanisole conversion. Furthermore, the catalyst was regenerated and reused for five consecutive runs, and maintained its activity without considerable loss.
以单宁酸为生物质碳源,采用水热法、碳化法和还原法原位合成了 (1:1)、(1:3) 和 (1:5) RuP@C-N 碳纳米球催化剂。使用多种仪器方法(包括 XRD)对合成材料进行了良好的描述,XRD 显示了磷化钌相的形成以及石墨碳。BET 表面积和 BJH 孔径分布显示材料具有多个中孔和微孔。XPS 测量评估了催化剂中碳纳米层和 RuP 之间的氧化态和键相互作用。FE-SEM 验证了材料的球形形态,而 EDS 图谱显示了 Ru、P、C、O 和 N 的存在。XPS 分析表明,催化剂中 C 和 N 的诱导影响了钌和磷之间的电子传输,从而产生了负责 C-O 键断裂的 Ruδ+/Pδ- 活性位点。此外,磷化钌在碳球中的高分散度和小粒径以及其酸性也对其高活性产生了重要影响。该研究以异丙醇为氢供体,在温和的反应条件下研究了 4-甲基苯甲醚的氢脱氧(HDO)反应。对于 (1:3) RuP@C-N 催化剂,4-甲基苯甲醚的最大转化率为 42.5%,甲苯选择性为 21.5%,TOF 为 45.35 h-1。(1:3) RuP@C-N 催化剂的活性最高,而高 P 浓度的 (1:5) RuP@C-N 催化剂对活性没有影响。脱甲基化/氢解是 4-甲基苯甲醚转化的最具选择性的反应途径。此外,该催化剂可连续再生和重复使用五次,并能保持其活性,没有明显的损失。
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引用次数: 0
FINEX PCI fuel diversification for techno-economical operations: Impact of high-volatile coal agglomeration on combustion FINEX PCI 燃料多样化,实现技术经济运营:高挥发性煤结块对燃烧的影响
IF 6.7 1区 工程技术 Q2 ENERGY & FUELS Pub Date : 2024-11-12 DOI: 10.1016/j.fuel.2024.133582
Dae-Gyun Lee , Min-Woo Kim , Yoon-Ho Bae , Kang-Min Kim , Gyeong-Min Kim , Chung-Hwan Jeon
Large-scale (volume > 2000 m3) blast furnaces (BFs) requiring expensive, high-grade coal are currently used in the iron and steel industry. High-volatile coal (HVC) must provide a substitute for high-grade coal to facilitate economical operations. This study determines the applicability of HVC and thermal coal within the fine particle extraction (FINEX) and conventional BF steelmaking processes using a drop-tube furnace. Furthermore, the characteristics of single- and blending-coal-carbon conversions are analyzed using unburned carbon (UBC). In the BF, an increase in agglomeration leads to an increase in UBC, where approximately 20 % agglomeration can be achieved. However, under FINEX conditions, due to the high oxygen concentration approximately 50 % agglomeration can be achieved. To determine the principle of the agglomeration phenomenon, a chemical-percolation-devolatilization model is used to analyze the amount of tar, light gas, and char generated during the devolatilization process. Using HVC achieves 89.7 % agglomeration which generates a 30 % tar volume during devolatilization. Tar has a significant effect on agglomeration and facilitates bridging, causing agglomeration into a large particle as identified from the structural agglomeration of a scanning electron microscopy image. This phenomenon affects raceway formation and the combustion stability of pulverized coal injections.
钢铁工业目前使用的大型(容积达 2000 立方米)高炉(BF)需要昂贵的高品位煤炭。高挥发性煤(HVC)必须能够替代优质煤,以促进经济运行。本研究利用滴管炉确定了高挥发性煤和动力煤在细颗粒提取(FINEX)和传统 BF 炼钢工艺中的适用性。此外,还使用未燃碳 (UBC) 分析了单一煤碳转化和混合煤碳转化的特点。在 BF 炼钢工艺中,团聚度的增加会导致 UBC 的增加,团聚度可达到约 20%。然而,在 FINEX 条件下,由于氧气浓度较高,可实现约 50% 的聚结。为了确定结块现象的原理,我们使用了化学-渗碳-脱碳模型来分析脱碳过程中产生的焦油、轻气体和焦炭量。使用 HVC 实现了 89.7% 的结块,在脱胶过程中产生了 30% 的焦油量。焦油对团聚有很大影响,并能促进架桥,从而导致团聚成大颗粒,这一点可从扫描电子显微镜图像的团聚结构中看出。这种现象会影响沟道的形成和煤粉喷射的燃烧稳定性。
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引用次数: 0
Mimicking characteristics of cast iron for enhanced electrocatalytic dehydrogenation of methane 模拟铸铁特性以增强甲烷的电催化脱氢作用
IF 6.7 1区 工程技术 Q2 ENERGY & FUELS Pub Date : 2024-11-12 DOI: 10.1016/j.fuel.2024.133674
Tushar Singh Verma , R. Nandini Devi , Sailaja Krishnamurty
Enhancing the efficiency of methane dehydrogenation through chemical modification of electrocatalytic iron surfaces with impurities that resemble cast iron properties is demonstrated computationally using Density Functional Theory methodologies. Investigating methane dehydrogenation on thermally stable Fe surfaces with discrete planes and anchoring impurities such as Al, C, and Si minimized reduction barriers. Electrochemical treatment of methane on these robust surfaces yields clean hydrogen and carbon-based compounds, such as carbon nanomaterials and carbon black. As for the most efficient active sites for enhanced methane dehydrogenation, the active plane 100 with 5.5 % C impurities and 0.51 eV reduction barrier is determined to be the most dependable, followed by the active plane 110 with 5.5 % Si impurities and the lower 0.98 eV reduction barrier. Utilizing CI-NEB (Nudged Elastic Band), the dissociation barrier investigation established the electrolytic catalysts’ performance. This work paves the way for experimentalists and demonstrates the economic viability of Fe-based catalysts for the Catalytic Dehydrogenation of Methane.
利用密度泛函理论方法,通过对具有类似铸铁特性的杂质的电催化铁表面进行化学修饰,提高了甲烷脱氢的效率。研究甲烷在具有离散平面和锚定杂质(如 Al、C 和 Si)的热稳定铁表面上的脱氢过程,最大限度地降低了还原障碍。在这些坚固的表面上对甲烷进行电化学处理,可产生清洁的氢气和碳基化合物,如碳纳米材料和炭黑。关于增强甲烷脱氢的最有效活性位点,含 5.5% C 杂质和 0.51 eV 还原势垒的活性平面 100 被认为是最可靠的,其次是含 5.5% Si 杂质和较低 0.98 eV 还原势垒的活性平面 110。利用 CI-NEB(裸弹带)进行的解离势垒研究确定了电解催化剂的性能。这项工作为实验人员铺平了道路,并证明了将铁基催化剂用于甲烷催化脱氢的经济可行性。
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引用次数: 0
Unveiling crude oil viscosity and rheological Properties: An experimental comparison of Nano silica and Nano Molybdenum disulfide in Bazargan Oilfield 揭示原油粘度和流变特性:纳米二氧化硅和纳米二硫化钼在巴扎尔甘油田的实验比较
IF 6.7 1区 工程技术 Q2 ENERGY & FUELS Pub Date : 2024-11-12 DOI: 10.1016/j.fuel.2024.133698
Salem J. Alhamd , Farhan Lafta Rashid , Mudhar A. Al-Obaidi , Abass K. Aldami
The present study intends to experimentally investigate the impact of incorporating silica nanoparticles and Nano Molybdenum disulfide on the viscosity property and crude oil rheological properties of Bazargan crude oil (Iraq) at different nanoparticles concentrations and crude oil temperatures. The results indicate a notable reduction of crude oil viscosity as a result to adding the nanoparticles, increasing the nanoparticles concentration, and increasing the operating temperature. Statistically, the viscosity has been reduced from 57.15 cP at 25 °C to 31.27 cP at 55 °C after adding 0.3 wt% of silica nanoparticles compared to a reduction of viscosity from 57.15 cP at 25 °C to 31.37 cP after the inclusion of 0.3 wt% of Nano Molybdenum disulfide at 55 °C. To quantify the estimation of viscosity reduction after the addition of nanoparticles, the degree of viscosity reduction (DVR%) is established. Specifically, the addition of silica nanoparticles assures the maximum DVR% of 31.58 %. using 0.3 wt% at 25 °C compared to the maximum DVR% of 29.27 % after the addition of 0.3 wt% of Nano Molybdenum disulfide.
A critical analysis of the crude oil rheological properties indicates that the crude oil can exhibit a Bingham fluid behavior. In this regard, the addition of nanoparticles at variable concentrations resulted in a decrease in yield stress, plastic viscosity, and effective viscosity. This proposes that the crude oil is transitioning towards Newtonian behavior, as demonstrated by the lessening yield stress and its gradual approach to zero after the combination of nanomaterials.
本研究旨在通过实验研究在不同纳米颗粒浓度和原油温度下,加入二氧化硅纳米颗粒和纳米二硫化钼对巴扎尔甘原油(伊拉克)的粘度特性和原油流变特性的影响。结果表明,添加纳米颗粒、增加纳米颗粒浓度和提高工作温度都会显著降低原油粘度。据统计,加入 0.3 wt% 的二氧化硅纳米粒子后,原油粘度从 25 °C 时的 57.15 cP 降至 55 °C 时的 31.27 cP,而加入 0.3 wt% 的二硫化钼纳米粒子后,原油粘度从 25 °C 时的 57.15 cP 降至 55 °C 时的 31.37 cP。为了量化添加纳米颗粒后粘度降低的估计值,确定了粘度降低程度(DVR%)。具体来说,在 25 °C 时,添加 0.3 wt% 的纳米二氧化硅颗粒可确保 31.58 % 的最大 DVR%,而添加 0.3 wt% 的纳米二硫化钼后的最大 DVR% 为 29.27 %。在这方面,添加不同浓度的纳米粒子会降低屈服应力、塑性粘度和有效粘度。这表明原油正在向牛顿流体行为过渡,具体表现为加入纳米材料后屈服应力减小并逐渐趋近于零。
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引用次数: 0
Fatty acid hexyl esters: Influence of the reaction parameters on the synthesis and diesel-biodiesel-1-hexanol blend composition on the application properties 脂肪酸己酯:合成反应参数和柴油-生物柴油-1-己醇混合物成分对应用特性的影响
IF 6.7 1区 工程技术 Q2 ENERGY & FUELS Pub Date : 2024-11-12 DOI: 10.1016/j.fuel.2024.133637
Mia Gotovuša , Matija Krvavica , Andrea Knežević , Lucija Konjević , Jelena Parlov Vuković , Fabio Faraguna
The matter of this study is the influence of reaction parameters – temperature (40–80 °C), time (2–60 min), molar ratio of 1-hexanol to waste cooking oil (5:1–12:1), and mass fraction of KOH catalyst (1–3 wt%) – on the synthesis, i.e. reaction conversion, of fatty acid hexyl esters (FAHE). Afterward, larger amounts of biodiesel were synthesized, purified, and blended with 1-hexanol and non-additized mineral diesel, to assess blends’ application properties, as possible transportation fuels used in diesel engines. An increase in biodiesel’s volume fraction up to 20 vol% in blends led to an increase in their densities, viscosities, as well as surface tension values. On the contrary, adding 1-hexanol up to 15 vol% resulted in a decrease in these values. Low-temperature properties of diesel–biodiesel blends, e.g. pour point and cloud point and heat of combustion were the same or very close to those of mineral diesel, whereas FAHE significantly improved lubricating properties of diesel. Altogether, application property values of the prepared blends fell within the corresponding guidelines set by the standard EN 590.
本研究的主题是反应参数--温度(40-80 °C)、时间(2-60 分钟)、1-己醇与废弃食用油的摩尔比(5:1-12:1)以及 KOH 催化剂的质量分数(1-3 wt%)--对脂肪酸己酯(FAHE)合成(即反应转化率)的影响。随后,合成、提纯了更大量的生物柴油,并将其与 1-己醇和无添加矿物柴油混合,以评估混合燃料的应用特性,作为柴油发动机中可能使用的运输燃料。生物柴油的体积分数增加到 20% 时,其密度、粘度和表面张力值都会增加。相反,添加 1- 己醇至 15% 会导致这些值下降。柴油-生物柴油混合物的低温特性(如倾点、浊点和燃烧热)与矿物柴油相同或非常接近,而 FAHE 则显著改善了柴油的润滑特性。总之,所制备混合燃料的应用特性值符合 EN 590 标准规定的相应准则。
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引用次数: 0
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Fuel
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