Fuel Processing Technology最新文献_第10页

Numerical study on stretch extinction mechanism of NH3/H2/air laminar counterflow premixed flames NH3/H2/空气层流逆流预混火焰拉伸熄灭机理的数值研究

IF 7.7 2区工程技术 Q1 CHEMISTRY, APPLIED

Fuel Processing Technology

Pub Date : 2025-08-27 DOI: 10.1016/j.fuproc.2025.108319

Wenxuan Zhou , Yinhu Kang , Jiuyi Zhang , Haoran Wang , Xiaomei Huang , Xiaofeng Lu

Ammonia and hydrogen are two most promising carbon-free fuels emerging in recent years, and their co-combustion is well recognized as an efficient approach to solve the issues associated with ammonia's poor combustion behaviors. This study emphasizes fundamentally the combustion properties, particularly the stretch-induced extinction limit as well as the underlying physical mechanism of the NH₃/H₂/air laminar counterflow premixed flames by carrying out simulations with detailed fuel chemistry and transport models. The results demonstrate that hydrogen addition significantly extends the ammonia flame extinction strain rate, with the equivalence ratio corresponding to the maximum extinction strain rate shifting toward leaner stoichiometry as hydrogen addition increases. The combination of thermal, chemical, and transport effects of hydrogen enhances the NH₃/H₂ premixed flame stability. More specifically, the contribution of thermal effect to extinction prevails under the fuel-rich condition, decreasing with the decrement of equivalence ratio. The effective Lewis number of the premixture is responsible for the distinct thermal effect response behaviors in fuel-lean condition compared with the stoichiometric and rich conditions. By comparatively analyzing chemical kinetics and flame structure between the strongly-stable and near-extinction flames, it elucidates the governing chemical pathways and critical radical interactions responsible for the NH₃/H₂ stretched premixed flame extinction.

氨和氢是近年来出现的两种最有前途的无碳燃料，它们的共燃烧被认为是解决氨燃烧性能差问题的有效途径。本研究通过详细的燃料化学和输运模型进行模拟，从根本上强调了NH3/H2/空气层流逆流预混火焰的燃烧特性，特别是拉伸致灭极限以及潜在的物理机制。结果表明，氢的加入显著地延长了氨火焰熄灭应变速率，随着氢的添加量的增加，最大熄灭应变速率对应的当量比向更小的化学计量量偏移。氢的热、化学和输运效应共同增强了NH3/H2预混料的火焰稳定性。更具体地说，热效应对消光的贡献在富燃料条件下普遍存在，随着当量比的减小而减小。预混料的有效路易斯数是造成贫油条件下与富油条件下不同的热效应响应行为的主要原因。通过对比分析强稳定火焰和近熄灭火焰的化学动力学和火焰结构，阐明了NH3/H2拉伸预混火焰熄灭的控制化学途径和临界自由基相互作用。

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引用次数: 0

Nitrogen incorporation in SAPO-34: How urea etching improves catalyst lifetime and selectivity 氮在SAPO-34中的掺入：尿素蚀刻如何提高催化剂寿命和选择性

IF 7.7 2区工程技术 Q1 CHEMISTRY, APPLIED

Fuel Processing Technology

Pub Date : 2025-08-26 DOI: 10.1016/j.fuproc.2025.108318

Hossein Mozafari Khalafbadam, Jafar Towfighi Darian, Masoud Safari Yazd

Urea etching of SAPO-34 offers an effective route to enhance its catalytic performance in the methanol-to-olefins (MTO) process. This work examines the effects of nitrogen doping and mesoporosity enhancement on SAPO-34's physicochemical and catalytic properties through combined experimental and theoretical methods, including XRD, FTIR, HR-XPS, NH₃-TPD, molecular dynamics (MD) simulations, and performance testing. HR-XPS confirms successful nitrogen incorporation, showing increased CN and NC species with reduced CSi and NSi bonds. XRD and FE-SEM reveal decreased crystallinity and particle size, contributing to higher surface area and mesoporosity. NH₃-TPD indicates moderated strong acid sites and increased weak acid sites, optimizing the acidity profile for improved ethylene selectivity and coke resistance. MD simulations show that nitrogen doping stabilizes methanol conversion steps and suppresses coke precursor formation, prolonging catalyst life. Catalytic tests demonstrate that urea-etched SAPO-34 (SP-UN) surpasses conventional SAPO-34 (SP), achieving higher ethylene selectivity (57.42 %), sustaining high selectivity for over 420 min, and exhibiting slower deactivation. The synergy of framework stabilization, balanced acidity, and enhanced diffusion properties significantly boosts SAPO-34's efficiency and durability in MTO applications.

尿素蚀刻是提高SAPO-34在甲醇制烯烃（MTO）过程中催化性能的有效途径。本文通过XRD、FTIR、HR-XPS、NH3-TPD、分子动力学（MD）模拟和性能测试等实验与理论相结合的方法，研究了氮掺杂和介孔增强对SAPO-34理化性能和催化性能的影响。HR-XPS证实了氮的成功结合，显示CN和NC物种增加，CSi和NSi键减少。XRD和FE-SEM表明，结晶度和颗粒尺寸减小，导致比表面积和介孔率增大。NH3-TPD抑制了强酸位点，增加了弱酸位点，优化了酸度分布，提高了乙烯选择性和抗焦性。MD模拟表明，氮掺杂稳定了甲醇转化步骤，抑制了焦炭前驱体的形成，延长了催化剂的寿命。催化测试表明，尿素蚀刻SAPO-34 （SP- un）优于传统SAPO-34 (SP)，实现了更高的乙烯选择性（57.42%），保持了超过420分钟的高选择性，并且表现出更慢的失活。框架稳定性、平衡酸度和增强扩散性能的协同作用显著提高了SAPO-34在MTO应用中的效率和耐久性。

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引用次数: 0

Effect of transition metal on the physical and hydrogen storage properties of the dynamically stable novel ARhH3 (A = Mg, Ca, and Sr) hydrides for solid-state hydrogen storage application: A DFT and AIMD study 过渡金属对动态稳定新型ARhH3 （A = Mg, Ca, Sr）氢化物物理和储氢性能的影响：DFT和AIMD研究

IF 7.7 2区工程技术 Q1 CHEMISTRY, APPLIED

Fuel Processing Technology

Pub Date : 2025-08-22 DOI: 10.1016/j.fuproc.2025.108312

Md. Rabbi Talukder , Md Rasidul Islam

A thorough examination of the physical and hydrogen storage properties of novel ARhH₃ (A = Mg, Ca, and Sr) hydrides employs first-principles Density Functional Theory. The mechanical, dynamic, thermodynamic, and phase stability of ARhH₃ hydrides were validated by assessing the Born stability criteria, phonon spectra, formation energies, and tolerance factors, respectively. Both the PBE and HSE06 functionals revealed that each of the entitled perovskites exhibits metallic character (E_g = 0 eV), showcasing remarkable conductivity that boosts charge transfer and facilitates the efficient (de)hydrogenation kinetics. Optical functions exhibited great potency in both the visible and UV spectra. The Cauchy pressure, Pugh's, and Poisson's ratios revealed the ductile nature of ARhH₃ perovskites. Furthermore, these perovskites exhibit excellent mechanical properties, including Young's modulus of 43.51–127.76 GPa, machinability index of 2.13–11.76, melting temperature of 1483.98–1684.06 K, sound velocity of 1945.51–3452.84 ms⁻¹, and notable anisotropic behavior. The thermal stability of these hydrides was confirmed by the thermodynamic evaluations and AIMD simulations. MgRhH₃, CaRhH_3, and SrRhH₃ demonstrated substantial gravimetric hydrogen storage capacities of 2.34, 2.07, and 1.56 wt%, as well as volumetric storage capacities of 117.65, 103.14, and 93.36 gH₂/L, respectively. Interestingly, the hydrogen desorption temperatures for MgRhH₃, CaRhH_3, and SrRhH₃ are recorded at 481 K, 531 K, and 493 K, respectively, enabling them to be highly suitable for practical solid-state hydrogen storage applications.

采用第一性原理密度泛函理论对新型ARhH3 （A = Mg， Ca和Sr）氢化物的物理和储氢性能进行了全面的研究。通过计算Born稳定性标准、声子谱、形成能和容差系数，分别验证了ARhH3氢化物的力学稳定性、动力学稳定性、热力学稳定性和相稳定性。PBE和HSE06官能团都表明，每一种钙钛矿都具有金属性质（Eg = 0 eV），表现出显著的导电性，促进电荷转移，促进有效的（脱）氢化动力学。光学函数在可见光谱和紫外光谱中都表现出很强的效力。柯西压力、皮尤和泊松比值揭示了ARhH3钙钛矿的延展性。此外，这些钙钛矿具有优异的力学性能，杨氏模量为43.51 ~ 127.76 GPa，可切削性指数为2.13 ~ 11.76，熔化温度为1483.98 ~ 1684.06 K，声速为1945.51 ~ 3452.84 ms−1，各向异性行为显著。热力学评价和AIMD模拟证实了这些氢化物的热稳定性。MgRhH3、CaRhH3和SrRhH3的重量储氢容量分别为2.34%、2.07和1.56 wt%，体积储氢容量分别为117.65、103.14和93.36 gH2/L。有趣的是，MgRhH3、CaRhH3和SrRhH3的氢解吸温度分别为481 K、531 K和493 K，这使得它们非常适合实际的固态储氢应用。

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引用次数: 0

Auto-ignition characteristics and kinetic modeling study of PODE3/n-heptane blends PODE3/正庚烷共混物的自燃特性及动力学建模研究

IF 7.7 2区工程技术 Q1 CHEMISTRY, APPLIED

Fuel Processing Technology

Pub Date : 2025-08-20 DOI: 10.1016/j.fuproc.2025.108311

Yuwei Zhao , Yingtao Wu , Jing Zou , Wenxiu Zheng , Chenglong Tang , Xiaochen Wang , Tianlin Niu

Polyoxymethylene dimethyl ethers (PODE_n) are promising oxygenated additives for diesel engines due to their high cetane number and low soot emissions. However, the auto-ignition characteristics of PODE₃ blended with diesel surrogate fuels like n-heptane remain unclear, especially under low-to-intermediate temperature conditions (600–1000 K). In this work, the ignition delay times (IDTs) of PODE₃/n-heptane blends (10–40 % PODE₃ molar fraction) were measured in a rapid compression machine (RCM) under stoichiometric conditions (φ = 1.0), pressure of 10 bar, and temperatures ranging from 600 to 1000 K. Results show that the IDT decreases significantly with higher PODE₃ content, particularly above 800 K. While below 700 K, the effect of PODE₃ addition on the IDTs was less pronounced. A merged kinetic model combining validated PODE₃ and n-heptane mechanisms accurately captured the IDT trends with varying fuel compositions and their negative temperature coefficient (NTC) behaviors. Kinetic analyses revealed that PODE₃ accelerates n-heptane's first-stage ignition by enhancing radical accumulation (e.g., ȮH) through H-atom abstraction. Sensitivity analysis identified HȮ2 radical dynamics as critical in controlling system reactivity, with PODE₃ exhibiting a stronger promotion effect than n-heptane at higher temperatures. Reaction pathway analysis further indicated that temperature elevation shifts fuel consumption toward PODE₃-dominated β-scission reactions, generating CH₂O and H₂O₂, which decompose to ȮH radicals and accelerate ignition. These findings provide critical insights into optimizing PODE₃-blended fuels for advanced engine designs.

聚氧二甲基醚（PODEn）具有十六烷值高、烟尘排放低的特点，是一种很有前途的柴油机氧合添加剂。然而，PODE3与柴油替代燃料（如正庚烷）混合的自燃特性尚不清楚，特别是在低至中温条件下（600-1000 K）。在化学计量条件（φ = 1.0）、压力为10 bar、温度为600 ~ 1000 K下，在快速压缩机（RCM）上测量了PODE3/正庚烷共混物（PODE3摩尔分数为10 ~ 40%）的点火延迟时间（IDTs）。结果表明，随着PODE3含量的增加，IDT显著降低，特别是在800k以上。在700 K以下，添加PODE3对IDTs的影响不明显。结合验证的PODE3和正庚烷机理的合并动力学模型准确地捕获了不同燃料成分及其负温度系数（NTC）行为的IDT趋势。动力学分析表明，PODE3通过h原子抽离促进自由基积累（如ȮH），加速了正庚烷的一级点火。灵敏度分析发现HȮ2自由基动力学是控制体系反应性的关键，在较高温度下，PODE3比正庚烷表现出更强的促进作用。反应路径分析进一步表明，温度升高使燃料消耗转向以pode3为主的β-裂解反应，生成CH2O和H2O2， CH2O和H2O2分解为ȮH自由基，加速着火。这些发现为优化用于先进发动机设计的pode3混合燃料提供了重要见解。

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引用次数: 0

A study on the co-firing of ammonia, hydrogen, and methanol with natural gas in a 100 MW NGCC process for carbon neutrality 100 MW NGCC工艺中氨、氢、甲醇与天然气共烧的碳中和研究

IF 7.7 2区工程技术 Q1 CHEMISTRY, APPLIED

Fuel Processing Technology

Pub Date : 2025-08-19 DOI: 10.1016/j.fuproc.2025.108313

Jeongjae Oh , Inhye Kim , Minsuk Im , Dongwoo Kang , Sunghyun Cho

This study proposes a co-firing strategy involving ammonia, hydrogen, and methanol with natural gas in a 100 MW natural gas combined cycle (NGCC) power plant to reduce carbon dioxide emissions. Simulations were performed to assess fuel consumption, CO₂ and NOₓ emissions, and economic feasibility across different co-firing ratios. Co-firing hydrogen showed the most significant CO₂ reduction but resulted in increased NOₓ emissions. Ammonia and methanol co-firing moderately reduced CO₂ emissions and led to lower flue gas temperatures and NOₓ formation. Although co-firing is currently more expensive than using natural gas alone, techno-economic assessments under net-zero scenarios for 2030 and 2050 suggest improved cost competitiveness. With carbon taxes and fuel price changes, hydrogen becomes more economically viable by 2050, and methanol approaches the cost of natural gas. The results provide benchmarks for clean fuel integration in fossil-based power generation and highlight trade-offs between emissions and economic performance. This study contributes to the development of sustainable combustion strategies and supports policy and technology planning for decarbonized power systems.

本研究提出了在100兆瓦天然气联合循环（NGCC）发电厂中，氨、氢和甲醇与天然气共烧的策略，以减少二氧化碳的排放。模拟评估了不同共燃比下的燃料消耗、CO₂和NOₓ排放以及经济可行性。共烧氢气的CO₂减少效果最显著，但导致NOₓ排放量增加。氨和甲醇共烧适度减少了CO₂的排放，并导致了较低的烟气温度和NOₓ的形成。虽然目前共烧比单独使用天然气更昂贵，但在2030年和2050年净零情景下的技术经济评估表明，成本竞争力有所提高。随着碳税和燃料价格的变化，到2050年，氢在经济上变得更加可行，甲醇的成本接近天然气。研究结果为清洁燃料在化石燃料发电中的整合提供了基准，并突出了排放与经济绩效之间的权衡。该研究有助于制定可持续燃烧策略，并为脱碳电力系统的政策和技术规划提供支持。

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引用次数: 0

Nano-molecular response of bituminous coal to ScCO₂ at different stage: Experiments and ReaxFF-MD/DFT insights 不同阶段烟煤对ScCO 2的纳米分子响应：实验和ReaxFF-MD/DFT见解

IF 7.7 2区工程技术 Q1 CHEMISTRY, APPLIED

Fuel Processing Technology

Pub Date : 2025-08-18 DOI: 10.1016/j.fuproc.2025.108305

Kui Dong , Jianhua Xiang , Shaoqi Kong , Bingyi Jia , Zhiyu Niu

The interaction between supercritical CO₂ (ScCO₂) and coal alters the physicochemical properties of the coal in a staged manner. This study quantitatively investigates the nano-molecular structural response of bituminous to ScCO₂ exposure using a combination of experiments and ReaxFF-MD/DFT simulations. The results show that:In the swelling stage, the coal matrix expanded and early radical formation occurred, leading to a reduction in intramolecular pore volume from 0.0326 to 0.0318 cm³/g, while intermolecular pores increased from 0.0119 to 0.0145 cm³/g, Car-Car from 145 to 149, Cal-H from 103 to 92, weak van der Waals and hydrogen bonds were cleaved. In the dissolution stage, aliphatic chains degraded and oxygen-containing groups formed, intramolecular and intermolecular pores expanded to 0.0334 and 0.0165 cm³/g, respectively, increasing Car–Car bonds to 150, and Cal-H to 89, electron density recovered with the development of aromatic conjugation and polar groups In the rearrangement stage, radicals recombined into new aromatics, compressing intermolecular pores to 0.0160 cm³/g, while intramolecular pores increased to 0.0346 cm³/g, reducing Car–Car bonds to 142 and Cal-H to 84, electrostatic potential strengthened, indicating molecular stabilization.This work provides a novel, stage-specific, and quantitatively supported mechanism of bituminous evolution under ScCO₂ conditions, offering theoretical insight into molecular-scale optimization strategies for CO₂-ECBM.

超临界CO₂（ScCO₂）与煤的相互作用使煤的物理化学性质发生阶段性改变。本研究采用实验和ReaxFF-MD/DFT模拟相结合的方法，定量研究了沥青对ScCO 2暴露的纳米分子结构响应。结果表明：在膨胀阶段，煤基体膨胀并发生早期自由基形成，导致分子内孔体积由0.0326减小至0.0318 cm3/g，分子间孔由0.0119增大至0.0145 cm3/g， Car-Car由145增大至149，Cal-H由103增大至92，弱范德华键和氢键断裂；在溶解阶段，脂肪链降解，含氧基团形成，分子内孔和分子间孔分别扩大到0.0334和0.0165 cm3/g， Car-Car键增加到150个，Cal-H键增加到89个，电子密度随着芳香偶联和极性基团的发展而恢复。重排阶段，自由基重新结合形成新的芳烃，分子间孔压缩到0.0160 cm3/g，分子内孔增加到0.0346 cm3/g。Car-Car键减少到142，Cal-H键减少到84，静电电位增强，表明分子稳定。这项工作提供了一种新的、特定阶段的、定量支持的ScCO 2条件下沥青演化机制，为CO 2 -ECBM的分子尺度优化策略提供了理论见解。

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引用次数: 0

Investigation on the formation of nitrogen, sulfur and chlorine species in air and oxy-fuel combustion of biomass in a semi-industrial combustion chamber 研究空气中氮、硫和氯的形成及半工业燃烧室中生物质的全氧燃烧

IF 7.7 2区工程技术 Q1 CHEMISTRY, APPLIED

Fuel Processing Technology

Pub Date : 2025-08-18 DOI: 10.1016/j.fuproc.2025.108303

D. König, J. Ströhle, B. Epple

In this paper, the influence of oxy-fuel operation with flue gas recirculation on the occurrence of minority species in a semi-industrial combustion chamber is analyzed. The change of classical air combustion to an oxidizer mixture of O₂ and flue gas in oxy-fuel combustion shows different changes in the formation of minority species like

and SO₂. This is due to the present of high levels of CO₂ and a back feeding of this gaseous pollutant components into the combustion chamber through flue gas recirculation. In total, the changing formation mechanisms due to the presence of higher CO₂ concentrations in the combustion chamber, leading to increased amounts of nitrogen, sulfur and chlorine based species. During oxy-fuel combustion, the formation of CS₂ in the center of the flame is significantly higher, due to the availability of CO₂. When comparing different oxygen concentrations in oxy-fuel flames, it is evident that the lowest oxygen concentration most closely resembles the air combustion case. This suggests that the overall formation of nitrogen, sulfur, and chlorine species and the burnout of those in the flame is highly dependent on the flame temperature. Therefore, a reduction in flame temperature leads to a corresponding decrease in the formation of these species in both air and oxy-fuel combustion scenarios.

本文分析了半工业燃烧室中含氧燃料加烟气再循环对少数种发生的影响。在纯氧燃烧中，经典空气燃烧转变为O2和烟气的氧化剂混合物，在少数种如SO2的形成上表现出不同的变化。这是由于存在高水平的二氧化碳，并且通过烟气再循环将这种气态污染物成分反馈到燃烧室。总的来说，由于燃烧室中存在较高的CO2浓度，导致氮、硫和氯基物质的数量增加，从而改变了形成机制。在全氧燃烧过程中，由于CO2的可用性，火焰中心的CS2的形成明显更高。当比较不同氧浓度在全氧燃料火焰中，很明显，最低氧浓度最接近空气燃烧情况。这表明，氮、硫和氯物质的总体形成以及这些物质在火焰中的燃尽高度依赖于火焰温度。因此，在空气和全氧燃烧情况下，火焰温度的降低导致这些物质的形成相应减少。

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引用次数: 0

Influence of pilot diesel ratio and engine load on combustion behaviour in a biogas-fueled RCCI engine 先导柴油比和发动机负荷对沼气RCCI发动机燃烧性能的影响

IF 7.7 2区工程技术 Q1 CHEMISTRY, APPLIED

Fuel Processing Technology

Pub Date : 2025-08-18 DOI: 10.1016/j.fuproc.2025.108307

M. Yavuz , I.T. Yilmaz

The present study aims to analyse the combustion-related parameters in a reactivity-controlled compression ignition (RCCI) engine with a dual-fuel approach for diesel and biogas fuels. The objective is to investigate how varying biogas energy share ratios (50 %, 60 %, 70 %, and 80 %) affect combustion behaviour at different engine loads (40, 60, and 80 Nm). All tests were conducted at a constant engine speed of 1750 rpm. Results from dual-fuel operation were compared to baseline diesel combustion. The findings indicated that an increase in the biogas addition generally resulted in the deterioration of combustion stability, as evidenced by elevated ignition delays and COV_IMEP values. However, this negative impact was mitigated at higher engine loads and increased diesel pilot ratios. As the quantity of biogas increased, a rise in cylinder pressures, pressure rise rates, ignition delays and ringing intensities was observed. Conversely, combustion stabilities, peak heat release rates and combustion durations all decreased. This research contributes to advancing sustainable practices in engine technology by promoting alternative fuel adoption in internal combustion engines, aligning with efforts to enhance energy efficiency and sustainability in the transportation sector.

本研究旨在分析反应控制压缩点火（RCCI）发动机的燃烧相关参数，采用双燃料方法，柴油和沼气燃料。目的是研究不同的沼气能量份额比例（50%、60%、70%和80%）如何影响不同发动机负载（40、60和80 Nm）下的燃烧行为。所有测试都是在发动机转速为1750 rpm的恒定条件下进行的。双燃料运行的结果与基线柴油燃烧进行了比较。研究结果表明，沼气添加量的增加通常会导致燃烧稳定性的恶化，这可以从着火延迟和COVIMEP值的升高中得到证明。然而，这种负面影响在更高的发动机负载和更高的柴油先导比下得到缓解。随着沼气量的增加，气瓶压力、压力上升率、点火延迟和振铃强度都有所上升。相反，燃烧稳定性、峰值放热率和燃烧持续时间均下降。这项研究通过促进内燃机替代燃料的采用，有助于推进发动机技术的可持续实践，与提高交通运输部门的能源效率和可持续性的努力保持一致。

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引用次数: 0

Recyclable methanesulfonic acid-based deep eutectic solvents for efficient biodiesel production via transesterification 通过酯交换反应高效生产生物柴油的可回收甲烷磺酸基深度共晶溶剂

IF 7.7 2区工程技术 Q1 CHEMISTRY, APPLIED

Fuel Processing Technology

Pub Date : 2025-08-14 DOI: 10.1016/j.fuproc.2025.108310

Akram Ali Nasser Mansoor Al-Haimi , Fatma Yehia , Fen Liu , Xiang Zhen , Shunni Zhu , Zhongming Wang

This study explores, for the first time, the catalytic application of two previously developed methanesulfonic acid-based deep eutectic solvents (MSA-based DESs), namely MSA/choline chloride (MSA/ChCl) and MSA/tetraoctylammonium bromide (MSA/TOAB), for the transesterification of triglyceride-based oils into biodiesel. The aim was to develop recyclable acid catalysts and integrated processing strategies for biodiesel production, leveraging the thermal stability and recovery potential of MSA-based DESs. While these DESs have exhibited efficiency in esterification, their performance in transesterification remains unexamined. Both DESs were assessed under atmospheric and pressurized conditions to evaluate catalytic activity, methanol retention, and process efficiency. Fatty acid methyl ester (FAME) yields were quantified by gas chromatography, revealing that under mild conditions, the methanol retention system enabled slow but sustained conversion, with MSA/ChCl reaching 45.34 % yield after 30 d. Transitioning to a pressurized reactor significantly enhanced reaction kinetics, with MSA/ChCl reaching a FAME yield of 97 % within 3 h under optimized conditions (120 °C, 2 wt% catalyst, 60 wt% methanol). Further increases in DES concentration enabled yields exceeding 99 %. Key parameters, including methanol dosage, reaction time, temperature, and DES concentration, were optimized, and catalyst reusability was validated over five cycles, with yields remaining above 83 %. A closed-loop process was proposed for DES and methanol recovery to enhance scalability and minimize waste. This work extends the application of MSA-based DESs to transesterification, demonstrating a recyclable, high-activity Brønsted acid catalyst capable of achieving high biodiesel yields at low dosage, thereby addressing key limitations of conventional acid systems and supporting the development of sustainable industrial biodiesel processes.

本研究首次探索了先前开发的两种甲基磺酸基深度共晶溶剂（MSA-based DESs），即MSA/氯化胆碱（MSA/ChCl）和MSA/四辛基溴化铵（MSA/TOAB）在甘油三酯基油酯交换制备生物柴油中的催化应用。其目的是利用msa基DESs的热稳定性和回收潜力，开发可回收的酸催化剂和生物柴油生产的综合加工策略。虽然这些DESs在酯化反应中表现出了效率，但它们在酯交换反应中的表现仍未得到检验。在常压和加压条件下对两种DESs进行了评估，以评估催化活性、甲醇保留率和工艺效率。通过气相色谱法对脂肪酸甲酯（FAME）产率进行了定量，结果表明，在温和的条件下，甲醇保留系统可以实现缓慢但持续的转化，MSA/ChCl在30天后的产率达到45.34%。过渡到加压反应器显著提高了反应动力学，在优化条件下（120°C， 2 wt%催化剂，60 wt%甲醇），MSA/ChCl在3小时内的FAME产率达到97%。进一步增加DES浓度使产率超过99%。优化了甲醇用量、反应时间、温度和DES浓度等关键参数，验证了催化剂的可重复使用性，收率保持在83%以上。为了提高可扩展性和减少浪费，提出了DES和甲醇回收的闭环工艺。本研究扩展了msa基DESs在酯交换反应中的应用，展示了一种可回收的、高活性的Brønsted酸催化剂，能够在低剂量下实现高生物柴油产量，从而解决了传统酸体系的主要局限性，并支持可持续工业生物柴油工艺的发展。

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引用次数: 0

Investigation of the spray formation of solketal under diesel engine conditions and the influence on Diesel R33. 柴油机工况下索酮的喷雾形成及对R33型柴油机的影响研究。

IF 7.7 2区工程技术 Q1 CHEMISTRY, APPLIED

Fuel Processing Technology

Pub Date : 2025-08-14 DOI: 10.1016/j.fuproc.2025.108308

Julian Türck , Sebastian Riess , Lukas Strauß , Fabian Schmitt , Ralf Türck , Wolfgang Ruck , Michael Wensing , Jürgen Krahl

The defossilization of diesel fuels presents a multitude of new opportunities and challenges. Due to the increase in complexity and interactions between the components, it is necessary to examine the drop-in capability of new fuel components. One aspect of this is the influence on spray formation of the fuel. This work addresses the spray behavior of isopropylideneglycerine (solketal) and its influence on a multicomponent diesel blend (Diesel R33: 33 % renewable share). In general, it represents the first spray study of solketal. It enables value to be added from glycerin and, according to initial combustion tests, has a promising emissions profile due to its higher molecular oxygen density. The mass flow rate, penetration depth and cone angle were examined by using high-temperature and -pressure injection chamber equipped by optical diagnostics (Mie scattering setup and schlieren imaging system). These parameters are examined under varying fuel temperatures, injection pressures and ambient conditions. Solketal as a pure compound exhibits the expected behavior i.e. it is drop-in compatible even with varying parameters. The influence of solketal on Diesel R33 reveals that, in comparison to solketal-free blends, larger maximum mass flows are generated. It also shows that the penetration depths decrease (up to 34 %). In addition, there is more fuel in the gas phase, which may be a result of the comparatively low boiling point. In general, the influence of solketal suggests that fuel-induced soot reduction could be possible in existing fleets.

柴油燃料的脱石化带来了许多新的机遇和挑战。由于部件之间的相互作用和复杂性的增加，有必要对新燃料部件的插入能力进行研究。其中一个方面是对燃料喷雾形成的影响。本研究研究了异丙基甘油（solketal）的喷雾行为及其对多组分柴油混合物（柴油R33: 33%可再生份额）的影响。总的来说，它代表了solketal的第一次喷雾研究。它能够从甘油中增加价值，并且根据最初的燃烧测试，由于其较高的分子氧密度，具有很好的排放概况。利用配备光学诊断装置（米氏散射装置和纹影成像系统）的高温高压注射室检测了质量流量、穿透深度和锥角。这些参数是在不同的燃料温度、喷射压力和环境条件下进行测试的。索酮作为一种纯化合物表现出预期的行为，即即使在不同的参数下它也具有插入相容性。对柴油R33的影响表明，与不含solketal的混合物相比，产生的最大质量流量更大。穿透深度减小（最大达34%）。此外，气相中有更多的燃料，这可能是沸点相对较低的结果。总的来说，solketal的影响表明，在现有的车队中，燃料引起的烟尘减少是可能的。

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