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Effect of traditional solvent on thermal decomposition mechanism of lignin: A density functional theory study 传统溶剂对木质素热分解机理的影响:密度泛函理论研究
IF 7.5 2区 工程技术 Q1 CHEMISTRY, APPLIED Pub Date : 2024-04-30 DOI: 10.1016/j.fuproc.2024.108093
Xiaosong Luo, Qibin Li

In order to understand the effect of traditional solvents on lignin pyrolysis, the decarbonylation and decarboxylation reactions of various phenylic lignin model compounds were theoretically investigated using DFT methods at M06-2×/6–31++G(d,p) level. The calculation results show that activation energy of the decarbonylation and decarboxylation reactions of lignin model compounds can be reduced when H2O/CH3OH existed. There are two types of reaction for the H2O/CH3OH during the pyrolysis. For first type, the synergistic reaction of lignin with H2O/CH3OH as hydrogen transfer carrier. The energy barriers of the main elemental reaction steps during this type of pyrolysis are about 285.0–300.0 kJ/mol (H2O) and 275.0–290.0 kJ/mol (CH3OH) (decarbonylation), 170.0–210.0 kJ/mol and 155.0–200.0 kJ/mol (decarboxylation). For another type, the synergistic reaction of lignin with H2O/CH3OH as hydrogen source. The energy barriers of the main elemental reaction steps during this type of pyrolysis are about 260.0–278.0 kJ/mol and 240.0–260.0 kJ/mol, 303.0–312.0 kJ/mol and 291.0–297.0 kJ/mol. Furthermore, the reaction temperature has the most significant impact on decomposition reaction of lignin in a methanol medium, suggesting that the reaction in the methanol medium is better than that in the water environment.

为了了解传统溶剂对木质素热解的影响,在M06-2×/6-31++G(d,p)水平上采用DFT方法对多种苯基木质素模型化合物的脱羰基和脱羧反应进行了理论研究。计算结果表明,当木质素模型化合物中存在 H2O/CH3OH 时,其脱羰基和脱羧反应的活化能会降低。在热解过程中,H2O/CH3OH 会发生两种反应。第一种是木质素与作为氢转移载体的 H2O/CH3OH 的协同反应。这种热解过程中主要元素反应步骤的能量势垒约为 285.0-300.0 kJ/mol(H2O)和 275.0-290.0 kJ/mol(CH3OH)(脱碳)、170.0-210.0 kJ/mol和 155.0-200.0 kJ/mol(脱羧)。另一类是木质素与作为氢源的 H2O/CH3OH 的协同反应。这类热解过程中主要元素反应步骤的能量势垒分别约为 260.0-278.0 kJ/mol 和 240.0-260.0 kJ/mol、303.0-312.0 kJ/mol 和 291.0-297.0 kJ/mol。此外,反应温度对木质素在甲醇介质中的分解反应影响最大,表明在甲醇介质中的反应优于在水环境中的反应。
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引用次数: 0
Green catalyst innovation: Enhanced Fischer-Tropsch synthesis using potassium-promoted cobalt catalysts supported on pyrolyzed peanut shells and Cladophora Glomerata modified biochars 绿色催化剂创新:使用支撑在热解花生壳和经改性生物秸秆上的钾促进钴催化剂强化费托合成
IF 7.5 2区 工程技术 Q1 CHEMISTRY, APPLIED Pub Date : 2024-04-29 DOI: 10.1016/j.fuproc.2024.108094
Fatemeh Bayat , S.M. Pirbazari , Nastaran Shojaei , Shiva Kiani , Ahmad Tavasoli

This paper explores pyrolysis potential for effective modified biochar (MB) production, serving as a green and novel carbon-based catalyst support in Fischer-Tropsch to olefins synthesis. For this purpose, the MB produced from the pyrolysis of pre-treated Peanut shell (PS) and Cladophora glomerata algae (CG) was used as a high porosity support for cobalt catalyst synthesis. The impregnation technique was applied to prepare the cobalt catalysts, and the catalysts were promoted with potassium. Various methods examine catalysts physico-chemical properties. After 10  h of reduction at 400 °C, the catalysts' activity and selectivity were studied in a fixed-bed reactor. TEM images show that the metal particles are suitably distributed on the porous surface of the modified biochars. The majority of the particles were between 5 and 15 nm in size. Also, TPR results indicate a suitable metal dispersion of about 10% and good catalyst reducibility have been achieved. The cobalt catalysts produced on MBs of CG and PS exhibited FT rates of 0.245 and 0.223 (g HC/g cat.h), with CO conversion rates of 50.25% and 45.68% in each case. Finally, K-promoted cobalt catalysts supported on MBs of CG and PS showed the α-olefins selectivities of 38.67% and 35.49% for C2-C13 hydrocarbons, respectively.

本文探讨了有效生产改性生物炭(MB)的热解潜力,将其作为费托合成烯烃过程中的绿色新型碳基催化剂载体。为此,预处理花生壳(PS)和藻类(CG)热解产生的生物炭被用作钴催化剂合成的高孔隙率载体。采用浸渍技术制备钴催化剂,并用钾对催化剂进行促进。采用多种方法检测催化剂的物理化学性质。在 400 °C 下还原 10 小时后,在固定床反应器中研究了催化剂的活性和选择性。TEM 图像显示,金属颗粒适当地分布在改性生物沥青的多孔表面上。大部分颗粒的大小在 5 至 15 纳米之间。此外,TPR 结果表明,金属分散度约为 10%,催化剂还原性良好。在 CG 和 PS 的 MBs 上生产的钴催化剂的 FT 率分别为 0.245 和 0.223(g HC/g cat.h),CO 转化率分别为 50.25% 和 45.68%。最后,以 CG 和 PS 甲基溴为载体的 K 促进钴催化剂对 C2-C13 碳氢化合物的 α-olefins 选择性分别为 38.67% 和 35.49%。
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引用次数: 0
Digestate and woodchips gasification: A comparison of different gasifying agents 沼渣和木屑气化:不同气化剂的比较
IF 7.5 2区 工程技术 Q1 CHEMISTRY, APPLIED Pub Date : 2024-04-26 DOI: 10.1016/j.fuproc.2024.108091
Pavel Milčák, Marek Baláš, Martin Lisý, Hana Lisá, Petr Kracík, Jakub Lachman

Digestate is the secondary product of the fermentation process in biogas plants. The use of digestate as a fertilizer is very common. However, this is more and more limited nowadays and therefore alternative uses for digestate are sought. The research described in this article maps the possibilities of using digestate from the wet fermentation process for the syngas generation. This work is focuses on the gasification of the digestate with spruce chips mixtures. The mixtures were prepared with a proportion of 0, 25, 50, 75 and 100% of the digestate. The experiments were carried out on a semi-operational fluidized bed gasifier at atmospheric pressure. The working temperature of the fluidized bed was 810 °C; the gasification was autothermal. The gasification was carried out with three types of gasification agents, i.e. air, air-steam, and oxygen-steam for each fuel mixture. The aim of the research was to assess the effect of the digestate with wood chips on the qualitative and quantitative properties of the syngas. The digestate can be characterized as a secondary energy source reducing the consumption of primary energy sources. The produced syngas is of high quality and the digestate can become a very desirable fuel for the syngas production.

沼渣是沼气厂发酵过程的二次产物。沼渣用作肥料非常普遍。然而,如今这种做法越来越受到限制,因此人们开始寻求沼渣的替代用途。本文介绍的研究绘制了利用湿发酵工艺产生的沼渣生产合成气的可能性图。这项工作的重点是沼渣与云杉屑混合物的气化。混合物的沼渣比例分别为 0、25、50、75 和 100%。实验在常压下的半运行流化床气化炉上进行。流化床的工作温度为 810 °C;气化过程为自热式。对每种燃料混合物使用了三种气化剂,即空气、空气-蒸汽和氧气-蒸汽。研究的目的是评估含有木屑的沼渣对合成气定性和定量特性的影响。沼渣可作为二次能源,减少一次能源的消耗。产生的合成气质量很高,沼渣可以成为合成气生产中非常理想的燃料。
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引用次数: 0
Two-stage co-pyrolysis of Kraft lignin and palm oil mixture to biofuels: The role of lignin as a methylation agent for methyl ester formation 牛皮纸木质素和棕榈油混合物的两阶段共热解生物燃料:木质素作为甲酯形成的甲基化剂的作用
IF 7.5 2区 工程技术 Q1 CHEMISTRY, APPLIED Pub Date : 2024-04-25 DOI: 10.1016/j.fuproc.2024.108092
Matteo Borella , Alessandro A. Casazza , Guido Busca , Gabriella Garbarino

In this work pyrolysis of palm oil and lignin has been investigated using a two-stage process at 550 °C, with a first step configuration of continuous condensation for vapors and separation of gases, and a second step with distillation of vapors. Experiments were realized as pyrolysis of palm oil, palmitic acid, and Kraft lignin, as well as co-pyrolysis of palm oil/lignin, palmitic acid/lignin and palmitic acid/guaiacol. It has been shown that the addition of lignin improves the quality of palm oil pyrolysis bio-oil, thanks to the conversion of fatty acids coproduct to fatty acid methyl esters (FAME). The production of methyl esters in the reaction environment using palm oil and lignin was studied by conducting experiments with palmitic acid and lignin, as well as palmitic acid and guaiacol (the main product obtained from lignin pyrolysis). The results highlighted that during pyrolysis, the production of FAME is a consequence of a direct esterification reaction on palmitic acid. The formation of FAMEs during pyrolysis presents a promising avenue to optimize the utilization of palm oil by generating FAMEs as supplementary fuel products, Furthermore, it is possible to consider the application of the studied process for the conversion of free fatty acids into FAME.

在这项工作中,研究人员在 550 °C 温度下采用两步法热解棕榈油和木质素,第一步是连续冷凝蒸汽和分离气体,第二步是蒸馏蒸汽。实验实现了棕榈油、棕榈酸和牛皮纸木质素的热解,以及棕榈油/木质素、棕榈酸/木质素和棕榈酸/愈创木酚的共热解。研究表明,添加木质素可将脂肪酸副产品转化为脂肪酸甲酯(FAME),从而提高棕榈油热解生物油的质量。通过对棕榈酸和木质素以及棕榈酸和愈创木酚(木质素热解产生的主要产品)进行实验,研究了在使用棕榈油和木质素的反应环境中产生甲酯的情况。研究结果表明,在热解过程中,棕榈酸直接发生酯化反应生成了二甲醚。在热解过程中形成的二甲醚为优化棕榈油的利用提供了一个很有前景的途径,它可以产生二甲醚作为补充燃料产品,此外,还可以考虑应用所研究的工艺将游离脂肪酸转化为二甲醚。
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引用次数: 0
Effects of ammonia addition on the soot nanostructure and oxidation reactivity in n-heptane/toluene diffusion flames 氨添加对正庚烷/甲苯扩散火焰中烟尘纳米结构和氧化反应性的影响
IF 7.5 2区 工程技术 Q1 CHEMISTRY, APPLIED Pub Date : 2024-04-23 DOI: 10.1016/j.fuproc.2024.108090
Qing Li , Bo Tian , Lei Xu , Yu Wang

Co-firing NH3 with conventional hydrocarbon fuels is an important approach for reducing CO2 emissions in existing combustion systems. Besides CO2, the blending of NH3 would also notably affect soot formation and its oxidation behaviors. In the present study, we focus on the effects of NH3 on the nanostructure and oxidation characteristics of soot produced in diffusion flames of n-heptane/toluene mixtures. Two configurations of laminar co-flow diffusion flame, including both normal and inverse diffusion flames (NDF and IDFs), were used for investigation. High-resolution transmission electron microscopy (HRTEM), Raman spectroscopy (Raman), and Thermogravimetric analysis (TGA) were employed for soot characterization. The HRTEM and Raman spectra showed that with the increase of NH3 blending ratio, the fringe length (La) and the degree of graphitization decreased while the microcrystal tortuosity (Tf) increased. The results are in consistent with TGA analysis which suggests the promoting effects of NH3 on the soot oxidation reactivity. Difference between NDF and IDF with respect to the soot nanostructure and oxidation activity were discussed. It is our hope that the present results could deepen our understanding on the effects of NH3 on soot nanostructure and oxidation behavior and benefit the design of particulate filters for combustion devices fueled with hydrocarbon/NH3 mixtures.

在现有燃烧系统中,将 NH3 与传统碳氢化合物燃料混合燃烧是减少二氧化碳排放的重要方法。除 CO2 外,NH3 的掺入也会显著影响烟尘的形成及其氧化行为。在本研究中,我们重点研究了 NH3 对正庚烷/甲苯混合物扩散火焰中产生的烟尘的纳米结构和氧化特性的影响。研究采用了两种配置的层流共流扩散火焰,包括正向扩散火焰和反向扩散火焰(NDF 和 IDF)。采用高分辨率透射电子显微镜(HRTEM)、拉曼光谱(Raman)和热重分析(TGA)对烟尘进行表征。HRTEM 和拉曼光谱显示,随着 NH3 混合比例的增加,边缘长度(La)和石墨化程度降低,而微晶曲折度(Tf)增加。这些结果与 TGA 分析结果一致,表明 NH3 对烟尘氧化反应性有促进作用。讨论了 NDF 和 IDF 在烟尘纳米结构和氧化活性方面的差异。我们希望本研究结果能加深我们对 NH3 对烟尘纳米结构和氧化行为的影响的理解,并有益于以碳氢化合物/NH3 混合物为燃料的燃烧装置的微粒过滤器的设计。
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引用次数: 0
A neural network approach on forecasting spark duration effect on in-cylinder performance of a large bore compression ignition engine fueled with propane direct injection 预测火花持续时间对丙烷直喷式大缸径压燃发动机缸内性能影响的神经网络方法
IF 7.5 2区 工程技术 Q1 CHEMISTRY, APPLIED Pub Date : 2024-04-16 DOI: 10.1016/j.fuproc.2024.108088
Cahyani Windarto , Ocktaeck Lim

In the current study, we examined the impact of spark duration strategy on a large bore compression ignition engine fueled with propane direct injection. An artificial neural network also was used to forecast engine in-cylinder performance characteristics. A rapid compression and expansion machine (RCEM) with a spark plug was tested with a high-pressure direct injection propane of 200 bar. While the timing of the injection was set to 20 °CA bTDC, the spark duration can range from 0.7 to 5.0 milliseconds. Crank angle degree, pressure, ignition coil number and spark duration were used as input parameters in the ANN model to predict in-cylinder performance, while engine performance parameters such as heat release rate (HRR), turbulent kinetic energy (TKE), tumble ratio, indicated power, and combustion efficiency (ηc) were used as output parameters. The ANN model was created using the neural network toolbox and standard backpropagation with the Levenberg-Marquardt training algorithm was used with the learning rate and training epochs of the ANN model set to 0.001 and 1000, respectively. The accuracy of the model was validated by comparing the predicted datasets with the experimental data. The five projected parameters of heat release rate (HRR), turbulent kinetic energy (TKE), tumble ratio, indicated power, and combustion efficiency (ηc) showed R2 values of 0.9833, 0.9860, 0.9728, 0.9807, 0.9052, and 0.9999, respectively, and MSE values of 0.1419, 0.0023, 0.6428, 0.0106, 0.0050, and 0.0134. The R2 of the validation dataset was nearly 0.98, which is close to that of the training dataset. The coefficients of determination (R2) were greater than 0.9 in the projected results, and the MSE was reasonably low, indicating that a predictive model based on ANN model could predict in-cylinder performance of a large bore compression ignition engine.

在当前的研究中,我们考察了火花持续时间策略对以丙烷直接喷射为燃料的大缸径压燃式发动机的影响。同时还使用了人工神经网络来预测发动机的缸内性能特征。使用 200 巴的高压直喷丙烷对带有火花塞的快速压缩膨胀机(RCEM)进行了测试。喷射时间设定为 20 °CA bTDC,火花持续时间范围为 0.7 至 5.0 毫秒。曲柄角度、压力、点火线圈数和火花持续时间被用作 ANN 模型的输入参数,以预测缸内性能,而热释放率 (HRR)、湍流动能 (TKE)、翻滚比、指示功率和燃烧效率 (ηc) 等发动机性能参数被用作输出参数。使用神经网络工具箱创建了 ANN 模型,并使用了 Levenberg-Marquardt 训练算法的标准反向传播,ANN 模型的学习率和训练历元分别设置为 0.001 和 1000。通过比较预测数据集和实验数据,验证了模型的准确性。热释放率 (HRR)、湍流动能 (TKE)、翻滚率、指示功率和燃烧效率 (ηc) 这五个预测参数的 R2 值分别为 0.9833、0.9860、0.9728、0.9807、0.9052 和 0.9999,MSE 值分别为 0.1419、0.0023、0.6428、0.0106、0.0050 和 0.0134。验证数据集的 R2 接近 0.98,与训练数据集的 R2 接近。预测结果的决定系数(R2)大于 0.9,MSE 也相当低,表明基于 ANN 模型的预测模型可以预测大缸径压燃式发动机的缸内性能。
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引用次数: 0
Study on the effect of promotors in CO2 utilization for syngas production via dry reforming of methane over Co-MOX/TiO2-Al2O3 (MOX = La, Ce, Mg, and K) catalysts 研究促进剂对在 Co-MOX/TiO2-Al2O3(MOX = La、Ce、Mg 和 K)催化剂上通过甲烷干转化利用二氧化碳生产合成气的影响
IF 7.5 2区 工程技术 Q1 CHEMISTRY, APPLIED Pub Date : 2024-04-15 DOI: 10.1016/j.fuproc.2024.108089
Mumtaj Shah , Mohammed K. Al Mesfer , Mohd Danish , Prasenjit Mondal , Hemant Goyal , Subhasis Das

In this study, Co-based catalysts supported over Ti-Al oxide and promoted with La, Ce, Mg, and K metals were assessed for CO2 reforming of methane reaction to produce syngas. Titania-alumina mixed oxide supports were prepared using the template-assisted-solvothermal method, and then Co and promotors were co-impregnated over the as-prepared support. Different characterizations of catalysts showed that variation in promotor metal impacts these catalysts' physical and chemical properties. The Ti-Al oxide support possessed the perfect hexagonal morphology. Potassium-promoted catalysts possessed the highest number of basic sites, whereas the La-promoted catalyst possessed the highest number of acidic sites. La promotion improved the Co dispersion, while Mg promotion enhanced the metal support integration. La-promoted catalysts are deactivated because of active metal oxidation and the generation of hard carbon. The carbon was deposited in all catalysts; however, the activity of the Mg-promoted catalyst was unaffected. The intermediate surface basicity and strong metal support interaction improved the Mg-promoted catalyst's stability. The La and Mg-promoted catalysts possessed lower apparent activation energies.

本研究评估了以钛铝氧化物为载体并以 La、Ce、Mg 和 K 金属为促进剂的 Co 基催化剂在二氧化碳重整甲烷反应生成合成气中的应用。采用模板辅助溶热法制备了钛铝混合氧化物载体,然后将 Co 和促进剂共同浸渍在制备好的载体上。催化剂的不同特性表明,促进剂金属的变化会影响催化剂的物理和化学特性。钛-铝氧化物载体具有完美的六边形形态。钾促进的催化剂具有最多的碱性位点,而喇促进的催化剂具有最多的酸性位点。La 促进改善了 Co 的分散,而 Mg 促进则提高了金属支撑的整合。由于活性金属氧化并生成硬碳,La 促进的催化剂失活。碳沉积在所有催化剂中;然而,镁促进催化剂的活性未受影响。中间表面碱性和强金属支撑相互作用提高了镁促进催化剂的稳定性。La 和 Mg 促进的催化剂具有较低的表观活化能。
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引用次数: 0
Advancements in the study of carbon deposition behavior during the metallurgical high-reductive potential gas reforming and heating processes 冶金高还原潜力气体重整和加热过程中碳沉积行为的研究进展
IF 7.5 2区 工程技术 Q1 CHEMISTRY, APPLIED Pub Date : 2024-04-10 DOI: 10.1016/j.fuproc.2024.108087
Xingjian Deng, Lianda Zhao, Tian Gao, Qingguo Xue, Jingsong Wang, Haibin Zuo

Numerous innovative low-carbon ironmaking technologies rely on the use of a high-temperature, highly reducing gas, with examples including the gas-based direct reduction approach, hydrogen-enriched blast furnace fuel injection, and hydrogen-rich carbon circulation oxygen blast furnaces. However, the process of obtaining high-temperature and highly reducing gases inevitably leads to carbon deposition, and effective methods for controlling carbon deposition have yet to be developed for practical applications. Thus, within the context of metallurgical process conditions, this article provides a comprehensive review of the advancements in carbon deposition research by integrating findings from the fields of fuel chemistry and carbon material synthesis. Initially, the thermodynamic fundamentals of the carbon deposition reactions are examined, and subsequently, the influences of temperature, H2, and catalysis on the carbon deposition reactions are discussed. In addition, the growth and erosion mechanisms of carbon on the surface of the medium are analyzed. Finally, this review consolidates the methods available for controlling carbon deposition, encompassing changes in the process conditions, the development of anti-carbon materials, and research into special processes. This article also identifies gaps in the literature and outlines future directions in related fields, notably proposing the application prospects of the sulfur passivation and thermal plasma reforming technologies in the reforming and heating of highly reducing gases.

许多创新的低碳炼铁技术都依赖于高温高还原性气体的使用,例如气体直接还原法、高炉燃料喷射富氢法和富氢碳循环氧气高炉。然而,在获得高温高还原性气体的过程中,不可避免地会产生碳沉积,而控制碳沉积的有效方法在实际应用中仍有待开发。因此,本文结合冶金工艺条件,综合燃料化学和碳材料合成领域的研究成果,全面回顾了碳沉积研究的进展。文章首先研究了碳沉积反应的热力学基础,随后讨论了温度、H2 和催化作用对碳沉积反应的影响。此外,还分析了碳在介质表面的生长和侵蚀机制。最后,本综述总结了控制碳沉积的可用方法,包括改变工艺条件、开发防碳材料和研究特殊工艺。本文还指出了文献中的不足,并概述了相关领域的未来发展方向,特别是提出了硫钝化和热等离子体重整技术在高还原性气体重整和加热中的应用前景。
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引用次数: 0
Mechanistic understanding of the C-C/C-O bonds cleavage-methylation tandem reaction for the conversion of phenolic resins to hexamethylbenzene using γ-Al2O3 利用 γ-Al2O3 将酚醛树脂转化为六甲基苯的 C-C/C-O 键裂解-甲基化串联反应的机理理解
IF 7.5 2区 工程技术 Q1 CHEMISTRY, APPLIED Pub Date : 2024-03-30 DOI: 10.1016/j.fuproc.2024.108086
Gangqi Cheng , Xueru Chen , Ruizhe Chen , Jialiang Yang , Leilei Cheng , Jing Gu

The high-value recycling of discarded phenol-formaldehyde resins (PF) remains an unresolved challenge. Herein, we propose a novel approach leveraging γ-Al2O3 to convert PF into high-value hexamethylbenzene at a low temperature using a one-pot method. This study explores the degradation capability of PF, methylation reaction efficiency, and hydrodeoxygenation capacity among various cost-effective commercial catalysts: γ-Al2O3, ZrO2, and TiO2. It reveals the influence of different reaction times on PF pyrolysis and product distribution, and it was found that high value-added hexamethylbenzene exhibited the highest yield (73.33 wt%) with selectivity (75.83%) using γ-Al2O3 at 350 °C and 2 h of reaction. Experiments using PF models demonstrate the crucial synergy between γ-Al2O3 and C(aryl)-OH in the cleavage of C(aryl)-C(alkyl) bonds and methylation reactions. A pathway for PF C-C/C-O bonds cleavage-methylation tandem reaction is proposed, based on 13C methanol isotope experiments. PF undergoes C(aryl)-C(alkyl) bond cleavage to produce phenolic intermediates, which were then methylated; this is accompanied by the cleavage of C(aryl)-OH and C(aryl)-OCH3, culminating in C-alkylation to form hexamethylbenzene. This research provides new insights into the high-value recycling of PF.

废弃苯酚-甲醛树脂(PF)的高价值回收利用仍是一个尚未解决的难题。在此,我们提出了一种利用 γ-Al2O3 的新方法,采用一锅法在低温下将 PF 转化为高价值的六甲基苯。本研究探讨了γ-Al2O3、ZrO2 和 TiO2 等多种经济有效的商用催化剂对全氟辛烷磺酸的降解能力、甲基化反应效率和加氢脱氧能力。实验揭示了不同反应时间对 PF 热解和产物分布的影响,发现在 350 °C 和 2 小时反应时间内使用 γ-Al2O3 时,高附加值六甲基苯的产率最高(73.33 wt%),选择性最高(75.83%)。使用 PF 模型进行的实验证明,γ-Al2O3 和 C(芳基)-OH 在 C(芳基)-C(烷基)键的裂解和甲基化反应中具有重要的协同作用。根据 13C 甲醇同位素实验,提出了 PF C-C/C-O 键裂解-甲基化串联反应的途径。PF 经过 C(芳基)-C(烷基)键裂解生成酚类中间体,然后进行甲基化;伴随着 C(芳基)-OH 和 C(芳基)-OCH3 的裂解,最终发生 C-烷基化生成六甲基苯。这项研究为全氟辛烷磺酸的高价值回收利用提供了新的视角。
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引用次数: 0
Effect of diffusion and metal-acid synergy on catalytic behavior of the Pd/Hierarchical SAPO-31 nanoparticles for hydroisomerization of n-hexadecane 扩散和金属酸协同作用对 Pd/Hierarchical SAPO-31 纳米颗粒催化正十六烷加氢异构化行为的影响
IF 7.5 2区 工程技术 Q1 CHEMISTRY, APPLIED Pub Date : 2024-03-20 DOI: 10.1016/j.fuproc.2024.108076
Yu Zhang, Chunmu Guo, Wei Wang, Chang Xu, Wei Wu

The hydroisomerization of long-chain n-alkanes proves to be an effective approach for the production of renewable second-generation biodiesel, and the development of bifunctional catalysts with synergistic effect between metal and acidic sites was the key to increase the yield of iso‐alkanes. Herein, novel hierarchical SAPO-31 nanoparticles (S31-Hi) were synthesized with varied amounts of the growth inhibitor 1-octyl-3-methylimidazolium chloride ionic liquid (OMIMCl IL) in a one-stage crystallization, and a proposed formation process was discussed. The 0.1Pd/S31-Hi bifunctional catalysts were prepared by loading only 0.1 wt% Pd based on the S31-Hi by wetness impregnation method and their catalytic performances were evaluated for the hydroisomerization of n-hexadecane. The catalytic performance of 0.1Pd/S31-H based on the S31-H synthesized by adding an appropriate amount of OMIMCl ILs was significantly improved, which can be attributed to the enhanced diffusion originating from its smaller crystal size, higher Pd dispersion, and larger CPd/CH+ value, which was beneficial for achieving synergistic catalysis. The iso‐hexadecane yield of 77.8% and proportion of multi-branched isomers of 51.5%, and catalytic stability within 100 h time on stream was obtained over the 0.1Pd/S31-H at n-hexadecane conversion of 89.3%. These catalysts have application potential for the production of second-generation clean biodiesel with excellent low temperature fluidity.

长链正构烷烃的加氢异构化是生产可再生第二代生物柴油的有效方法,而开发具有金属与酸性位点协同效应的双功能催化剂是提高异构烷烃产率的关键。本文采用单级结晶的方法,在不同量的生长抑制剂 1-辛基-3-甲基氯化咪唑离子液体(OMIMCl IL)的作用下合成了新型分层 SAPO-31 纳米颗粒(S31-Hi),并讨论了拟议的形成过程。采用湿法浸渍法在 S31-Hi 上仅负载 0.1 wt% 的钯制备了 0.1Pd/S31-Hi 双功能催化剂,并对其在正十六烷加氢异构化过程中的催化性能进行了评估。加入适量 OMIMCl IL 合成的 S31-H 催化剂 0.1Pd/S31-H 的催化性能显著提高,这可能是由于其晶体尺寸更小、Pd 分散度更高、CPd/CH+ 值更大,从而增强了扩散性,有利于实现协同催化。在 0.1Pd/S31-H 催化剂上,正十六烷转化率为 89.3%,异十六烷产率为 77.8%,多支化异构体比例为 51.5%,且在 100 小时内催化稳定。这些催化剂具有生产第二代清洁生物柴油的应用潜力,且具有优异的低温流动性。
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引用次数: 0
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Fuel Processing Technology
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