IF 6.7 1区工程技术 Q2 ENERGY & FUELS

Fuel

Pub Date : 2024-11-13 DOI: 10.1016/j.fuel.2024.133592

Fengjiao Wang , Xianghao Meng , He Xu , Yikun Liu , Lvchaofan Liu

In order to explore the imbibition mechanism of shale surface under mixed wetting condition, a multiphase system under the condition of shale mixed-wetting surface is constructed by MD method, elucidates the CO₂ imbibition mechanism under shale mixed-wetting surface from the aspects of density distribution, radial distribution function and interaction energy of each component. The result shows that: The mechanism of CO₂ imbibition can be divided into two aspects, one is the mutual solubility of oil and gas, the other is the competitive adsorption of oil and gas. From the molecular scale perspective, the imbibition process can be divided into three stages, in the early stage of rapid imbibition, the mixed-wetting surface has a weaker ability to attract CO₂, CO₂ is mainly miscible with the oil phase, resulting in the volume expansion of crude oil, which reduces the viscosity of crude oil, increases the fluidity of crude oil. In the intermediate transition stage, the interaction energy between CO₂ and the surface is 1.88 times that between the oil phase and the surface, CO₂ has an advantage in the competitive adsorption process with the oil phase, and has the ability to imbibe and replace more oil phase. In the later stable stage, the imbibition process roughly ends and the imbibition efficiency no longer increases. The imbibition efficiency of CO₂ first increases and then decreases with the increase of pressure and temperature. It is further found that the water-wetting part of the mixed-wetting surface can inhibit the attraction of the oil molecules in the oil-wetting part, improve the stripping ability of CO₂ to the residual oil adsorbed on the oil-wetting surface, so as to improve the imbibition efficiency.

为探讨混合润湿条件下页岩表面的浸润机理，利用 MD 方法构建了页岩混合润湿表面条件下的多相体系，从各组分的密度分布、径向分布函数和相互作用能等方面阐明了页岩混合润湿表面下的 CO2 浸润机理。结果表明二氧化碳的吸附机理可分为两个方面，一是油气互溶，二是油气竞争吸附。从分子尺度上看，浸润过程可分为三个阶段，在快速浸润初期，混润面吸附 CO2 的能力较弱，CO2 主要与油相混溶，导致原油体积膨胀，从而降低了原油粘度，增加了原油的流动性。在中间过渡阶段，CO2 与表面的相互作用能是油相与表面相互作用能的 1.88 倍，CO2 在与油相的竞争吸附过程中占有优势，具有吸附和置换更多油相的能力。在稳定后期，吸附过程大致结束，吸附效率不再提高。随着压力和温度的升高，二氧化碳的浸润效率先升高后降低。研究进一步发现，混合润湿表面的水润湿部分可以抑制油润湿部分对油分子的吸引，提高二氧化碳对吸附在油润湿表面的残油的剥离能力，从而提高浸出效率。

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引用次数: 0

The characteristics of thermophilic anaerobic bacteria in coal and its methanogenesis mechanism 煤中嗜热厌氧菌的特征及其甲烷化机制

IF 6.7 1区工程技术 Q2 ENERGY & FUELS

Fuel

Pub Date : 2024-11-13 DOI: 10.1016/j.fuel.2024.133730

Mengjiao Qi , Xianbo Su , Weizhong Zhao , Qian Wang , Can Lv

The research on the characteristics and metabolism of thermophilic methanogens in coal under high temperature conditions is helpful to the development and utilization of deep coalbed methane, improving the potential of microbial methanogenesis and carbon dioxide emission reduction, and expanding the application scope of Coalbed Gas Bioengineering. Therefore, the lean coal in central and southern region of Henan, China with abnormal ground temperature was used as the substrate, and the microorganisms in coal seam water were used as the source of bacteria. The experiments were carried out at 50 °C, 55 °C, 60 °C, 65 °C and 70 °C, respectively. The results showed that hydrogenotrophic methanogenesis was the primary pathway of methane generation by thermophilic anaerobic digestion of coal. The hydrolysis products were consumed by hydrolysis bacteria Coprothermobacter, Acetomicrobium and acetic acid oxidizing bacteria Tepidanaerobacter to produce a large amount of H₂ and CO₂. Then CO₂ was reduced to CH₄ by the hydrogenotrophic methanogen Methanothermobacter. From all aspects, 55 °C was the most suitable for coal thermophilic anaerobic digestion to produce methane. At this temperature, the biomethane production at the peak of biogas production could reach 0.45 mL/g, and the cumulative production was 1.81 mL/g. The content of glycosyl transferases (GTs) was found to be the lowest in the anaerobic digestion system operating at 50 °C, resulting in the lowest coal degradation rate. In the 60 °C and 65 °C systems, cellular processes and the utilization of organic compounds exhibited lower activity compared to the 55 °C system, resulting in reduced methane production. Pyruvate metabolism and glycine metabolism were strongest at 70 °C, which could easily lead to acid accumulation and ammonia inhibition. The comprehension of this concept will establish a foundation for mitigating detrimental factors during the implementation process of Coalbed Gas Bioengineering under elevated temperatures.

研究高温条件下煤中嗜热甲烷菌的特性和代谢，有利于深部煤层气的开发利用，提高微生物产甲烷和二氧化碳减排的潜力，扩大煤层气生物工程的应用范围。因此，以中国河南中南部地区地温异常的贫煤为基质，以煤层水中的微生物为菌源。实验分别在 50 ℃、55 ℃、60 ℃、65 ℃ 和 70 ℃ 的条件下进行。结果表明，嗜氢型甲烷生成是煤炭嗜热厌氧消化产生甲烷的主要途径。水解产物被水解菌 Coprothermobacter、Acetomicrobium 和醋酸氧化菌 Tepidanaerobacter 消耗，产生大量 H2 和 CO2。然后，CO2 被养氢型甲烷菌 Methanothermobacter 还原成 CH4。从各方面来看，55 °C最适合煤炭嗜热厌氧消化产生甲烷。在该温度下，沼气生产高峰期的生物甲烷产量可达 0.45 mL/g，累计产量为 1.81 mL/g。在 50 °C的厌氧消化系统中，糖基转移酶（GTs）的含量最低，因此煤的降解率也最低。与 55 °C 系统相比，60 °C 和 65 °C 系统中细胞过程和有机化合物利用的活性较低，导致甲烷产量减少。丙酮酸代谢和甘氨酸代谢在 70 °C 时最强，这很容易导致酸积累和氨抑制。对这一概念的理解将为在高温条件下实施煤层气生物工程过程中减少不利因素奠定基础。

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引用次数: 0

Challenges and opportunities of CO2 storage in depleted shallow gas reservoirs in Alberta Oilsands area, Western Canada Sedimentary Basin, Canada 在加拿大西部沉积盆地阿尔伯塔油砂地区枯竭浅层气藏中封存二氧化碳的挑战与机遇

IF 6.7 1区工程技术 Q2 ENERGY & FUELS

Fuel

Pub Date : 2024-11-13 DOI: 10.1016/j.fuel.2024.133384

Zhuoheng Chen

Shallow (<900 m) depleted natural gas reservoirs in northeastern Alberta are not generally considered suitable CO₂ storage due to concerns of high leak risks and inefficient storage in low-density gas phase. Re-examination of the depleted gas reservoirs revealed that a) initial reservoir pressure is lower than regional hydrostatic pressure for most gas reservoirs in the region. A non-equilibrium state against inward pressure gradient over geological time is self indicative of effective containment of the natural gas in physical traps; b) under the same reservoir condition, the buoyancy of CO₂ is about 85 % of that from methane dominated natural gas, and the top seal is adequate for CO₂ storage in those gas reservoirs. If pore pressure is higher than the initial reservoir pressure, the buoyancy from further compressed CO₂ column becomes even less. Unless reaching fracture closure pressure or greater than breakthrough pressure, the leak risk of the top seal is low; c) our model suggests that the probability of leaking through injection induced fracture is low if we take 0.6 of the fracture closure pressure (FCP) as the maximum injection and optimal safe storage pressures; d) If the post-injection storage pressure is maintained at 0.6 of FCP, storage capacity in pore spaces from depleted and residual gas intervals alone reach 3036.5 million tonnes (Mt), about five times of the previously estimated 610 Mt. The storage capacity can be even greater if additional pore spaces from the associated sub-economic gas-bearing intervals are considered. The results from this study provide insights into the potential storage of CO₂ within shallow depleted gas reservoirs in the vicinity of Alberta oil sands operations.

阿尔伯塔省东北部的浅层（900 米）枯竭天然气储层通常不被认为适合封存二氧化碳，因为人们担心在低密度气相中存在高泄漏风险和低封存效率。对枯竭气藏的重新研究表明：a) 该地区大多数气藏的初始储层压力低于区域静水压力。随着地质时间的推移，与向内压力梯度的非平衡状态本身就表明天然气在物理捕集层中得到了有效封存；b) 在相同的储层条件下，二氧化碳的浮力约为以甲烷为主的天然气浮力的 85%，在这些气藏中，顶封足以封存二氧化碳。如果孔隙压力高于初始储层压力，进一步压缩的二氧化碳气柱产生的浮力会更小。除非达到裂缝闭合压力或大于突破压力，否则顶封的泄漏风险很低；c) 我们的模型表明，如果将注入诱导裂缝泄漏的概率取 0.6 的压裂闭合压力 (FCP) 作为最大注入压力和最佳安全储气压力；d) 如果注入后的储气压力保持在 FCP 的 0.6，则仅枯竭和残余气层孔隙空间的储气能力就可达到 3.036.5 亿吨 (Mt)，约为之前估计的 6.1 亿吨的五倍。如果考虑到相关次经济含气层段的额外孔隙空间，储量甚至会更大。这项研究的结果为了解阿尔伯塔油砂作业附近浅层枯竭气藏中二氧化碳的潜在封存能力提供了启示。

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引用次数: 0

Evaluation of 100% alternative fuel combustion under oxyfuel conditions in a pilot-scale burner for application in retrofit oxyfuel cement kiln 评估全氧燃烧条件下 100%替代燃料在中试规模燃烧器中的燃烧情况，以应用于全氧燃烧水泥窑改造

IF 6.7 1区工程技术 Q2 ENERGY & FUELS

Fuel

Pub Date : 2024-11-13 DOI: 10.1016/j.fuel.2024.133697

Cynthia Kroumian , Joerg Maier , Konstantina Peloriadi , Günter Scheffknecht , Panagiotis Grammelis

The cement industry is one of the largest industrial CO₂ emitters, where CO₂ is emitted from combustion and clinker production processes. This study focuses on substituting fossil fuels with alternative fuels under oxyfuel conditions to advance the technical feasibility of carbon capture technology. Combustion tests are performed in a 300 kW pilot-scale facility, where the burner has been optimized to replicate a retrofit oxyfuel cement kiln burner. Coal combustion in air is the reference case for the tests. The alternative fuels used in the tests are solid recovered fuel (SRF), wood and co-combustion of 90 %_th wood − 10 %_th sludge. Combustion scenarios are studied under both air and oxyfuel conditions with two different flue gas recirculation ratios (RR). Axial measurements of the flame temperature, heat flux and concentrations of gases are measured and evaluated. The burner and combustion chamber are modeled with CFD simulations. The boundary conditions of the SRF combustion in both air and oxyfuel conditions are modeled and the results are validated with the corresponding experimental data. The O₂ and CO₂ concentration during combustion of alternative fuels under oxyfuel conditions, measured 300 cm from the burner, are on average 3 ± 2 vol-% and 82 ± 5 vol-%, respectively. The average heat flux for the alternative fuels, 33 cm from the burner, is 122 ± 15 kW/m² and increases to form a plateau between 100 and 200 cm from the burner at 177 ± 16 kW/m². Compared to coal, the used alternative fuels are milled to a larger particle size, have on average 3.3 times higher volatile matter content, have faster devolatilization rates and have a longer flame shape. The oxyfuel case with higher RR resembles the air case in terms of the temperature profile, heat flux profile and inlet gas momentum. The combustion of alternative fuels is stable in both air and oxyfuel conditions and the flames compared to coal are wider, longer and less intense. CFD simulations of the prototype burner are conducted and validated against experimental data for 100 % SRF combustion. The model offers useful insight into the combustion of SRF fuel, it is particularly accurate for conventional air operating conditions.

水泥行业是最大的工业二氧化碳排放源之一，二氧化碳主要来自燃烧和熟料生产过程。本研究的重点是在全氧燃烧条件下用替代燃料替代化石燃料，以推进碳捕集技术的技术可行性。燃烧测试在一个 300 千瓦的中试规模设施中进行，该设施的燃烧器已经过优化，可以复制改造后的全氧燃烧水泥窑燃烧器。煤在空气中的燃烧是测试的参考情况。试验中使用的替代燃料有固体回收燃料（SRF）、木材和 90% 的木材与 10% 的污泥混合燃烧。在空气和全氧燃烧条件下，采用两种不同的烟气再循环比 (RR) 对燃烧情况进行了研究。对火焰温度、热流量和气体浓度进行了轴向测量和评估。燃烧器和燃烧室采用 CFD 模拟建模。模拟了 SRF 在空气和全氧燃烧条件下燃烧的边界条件，并将结果与相应的实验数据进行了验证。在全氧燃烧条件下，替代燃料燃烧时的 O2 和 CO2 浓度在距离燃烧器 300 厘米处测得，平均值分别为 3 ± 2 vol-% 和 82 ± 5 vol-%。在距离燃烧器 33 厘米处，替代燃料的平均热通量为 122 ± 15 kW/m2，并在距离燃烧器 100 至 200 厘米处上升至 177 ± 16 kW/m2 的高点。与煤炭相比，所使用的替代燃料的粒度更大，挥发物含量平均高出 3.3 倍，分解速度更快，火焰形状更长。就温度曲线、热通量曲线和入口气体动量而言，RR 较高的纯氧燃料情况与空气情况相似。替代燃料在空气和全氧燃烧条件下的燃烧都很稳定，与煤炭相比，火焰更宽、更长、强度更低。对原型燃烧器进行了 CFD 模拟，并根据 100% SRF 燃烧的实验数据进行了验证。该模型为 SRF 燃料的燃烧提供了有用的见解，尤其是在常规空气操作条件下的准确性。

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引用次数: 0

Deciphering the role and mechanism of rare earth element-rich biochar during anaerobic digestion of Dicranopteris pedata biomass 解密富含稀土元素的生物炭在厌氧消化蝶形花生物质过程中的作用和机制

IF 6.7 1区工程技术 Q2 ENERGY & FUELS

Fuel

Pub Date : 2024-11-13 DOI: 10.1016/j.fuel.2024.133720

Ke-Xin Xu , Yu-Hong Qiu , Zhi-Biao Chen , Zu-Liang Chen , Peng Xiu , Zhi-Man Yang

High solid anaerobic digestion (HSAD) is a promising technology to manage Dicranopteris pedata biomass (DPB) that generated from the phytoremediation process of rare earth tailings area. Rare earth element (REE)-rich DPB can be converted to biochar via a direct pyrolysis approach, yet the efficacy of REE-biochar in the HSAD process remains unclear. Here, three types of REE-biochars (B300, B500 and B800) were produced at 300, 500 and 800 °C. The results showed that elevating pyrolysis temperature improved the REE-biochar properties such as specific surface area (SSA), electrical conductivity (EC), REE content, and graphitization degree, but reduced its electron exchange capacity (EEC). Compared to B300 and B500, the B800 addition clearly boosted methane yield (up to 60% and 29%) and maximum methane production rate (up to 21% and 15%). Microbial analysis showed that B800 not only enriched the acidogenic bacteria (e.g., Ruminofilibacter) and electroactive microbes (e.g., DMER64 and Syntrophus) but also enhanced microbial metabolisms and electron transfer ability. Further analysis showed that B800 facilitated methanogenesis probably by coordinating the interaction of key genera through quorum sensing system and modulating electron transfer through its intrinsic graphitic matrices and REE oxides. This study offered a new approach to recycling REE-rich biomass and a guidance to design functional biochar material for improving the HSAD performance.

高固体厌氧消化（HSAD）是一种管理稀土尾矿区植物修复过程中产生的蝶形花生物质（DPB）的有前途的技术。富含稀土元素（REE）的DPB可通过直接热解的方法转化为生物炭，但REE-生物炭在HSAD工艺中的功效仍不明确。在此，我们在 300、500 和 800 °C 下生产了三种 REE 生物炭（B300、B500 和 B800）。结果表明，提高热解温度可改善 REE 生物炭的特性，如比表面积（SSA）、导电率（EC）、REE 含量和石墨化程度，但会降低其电子交换容量（EEC）。与 B300 和 B500 相比，添加 B800 明显提高了甲烷产量（分别高达 60% 和 29%）和最大甲烷产生率（分别高达 21% 和 15%）。微生物分析表明，B800 不仅富集了产酸菌（如 Ruminofilibacter）和电活性微生物（如 DMER64 和 Syntrophus），还提高了微生物代谢和电子传递能力。进一步的分析表明，B800 可通过法定人数感应系统协调关键菌属之间的相互作用，并通过其固有的石墨基质和 REE 氧化物调节电子传递，从而促进甲烷生成。这项研究为回收富含 REE 的生物质提供了一种新方法，并为设计功能性生物炭材料以提高 HSAD 性能提供了指导。

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引用次数: 0

Investigation of droplet dynamic in PEMFCs gas diffusion layer and gas channel with Micro-CT and lattice Boltzmann method 用 Micro-CT 和晶格玻尔兹曼法研究 PEMFCs 气体扩散层和气体通道中液滴的动态变化

IF 6.7 1区工程技术 Q2 ENERGY & FUELS

Fuel

Pub Date : 2024-11-13 DOI: 10.1016/j.fuel.2024.133677

Xuecheng Lv , Zhifu Zhou , Wei-Tao Wu , Lei Wei , Linsong Gao , Jizu Lyu , Chengzhi Hu , Yang Li , Yubai Li , Yongchen Song

This study reconstructed the 3D structure of the gas diffusion layer (GDL) in proton exchange membrane fuel cells (PEMFCs) using micro-CT technology and analyzed the droplet dynamics within the GDL and gas channel (GC) using the lattice Boltzmann method (LBM). A predictive model for droplet detachment at the GDL-GC interface was developed and its applicability under varying gas velocities and GDL wettability conditions was analyzed. Results indicate that, compared to single-scale GC spaces without GDL, significant differences exist in the droplet detachment trajectories and liquid bridge rupture points within the multi-scale GDL-GC spaces. Increased gas velocity and intrinsic contact angle within the GDL reduce the volume of detaching droplets and heighten detachment frequency. Optimal liquid water removal occurred at intrinsic contact angles between 120°-140°. Angles below this range impede droplet detachment in the GC, while angles above it result in water accumulation within the GDL. In the predictive model, the critical detachment force, generated by the liquid bridge connection, forms an angle with the gas flow, with its characteristic length defined by the minimum diameter at the bridge’s necking.

本研究利用微 CT 技术重建了质子交换膜燃料电池（PEMFC）中气体扩散层（GDL）的三维结构，并利用晶格玻尔兹曼法（LBM）分析了 GDL 和气体通道（GC）内的液滴动力学。开发了 GDL-GC 界面液滴脱离的预测模型，并分析了该模型在不同气速和 GDL 润湿性条件下的适用性。结果表明，与不含 GDL 的单尺度 GC 空间相比，多尺度 GDL-GC 空间内的液滴分离轨迹和液桥断裂点存在显著差异。GDL 内气体速度和固有接触角的增加减少了分离液滴的体积，提高了分离频率。当固有接触角在 120°-140° 之间时，液态水分离效果最佳。低于此范围的角度会阻碍液滴在 GC 中脱离，而高于此范围的角度则会导致水在 GDL 中积聚。在预测模型中，液桥连接产生的临界分离力与气流形成一个角度，其特征长度由液桥颈部的最小直径确定。

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引用次数: 0

Activated coke for synergistic removal of multiple pollutants from sintering flue gas: A Review 活性焦协同去除烧结烟气中的多种污染物：综述

IF 6.7 1区工程技术 Q2 ENERGY & FUELS

Fuel

Pub Date : 2024-11-13 DOI: 10.1016/j.fuel.2024.133506

Panpan Guo , Rongrong Lei , Wenbin Liu , Juan Liu , Changjiang Hou , Yujia Sun , Yi Xing , Wei Su

Activated coke has been widely used in the flue gas purification process due to its well-developed pore structure, abundant surface functional groups, good mechanical strength, and excellent regeneration properties. This paper presents a comprehensive overview of the mechanisms involved in the efficient removal of SO₂, NOx, Hg⁰, and PCDD/Fs from flue gas through the utilization of activated coke. The impact of surface area, pore structure, and functional groups of activated coke on the purification of pollutants was thoroughly reviewed. The impact of flue gas composition and temperature on the mitigation of pollutants was succinctly elucidated. The modification methods and effects of activated coke were summarized. The regeneration techniques and characteristics of adsorbed saturated activated coke are also presented. It provides reference for parameter optimization, process improvement and synergistic removal of pollutants in activated coke process.

活性焦具有发达的孔隙结构、丰富的表面官能团、良好的机械强度和优异的再生性能，因此被广泛应用于烟气净化工艺中。本文全面介绍了利用活性焦高效去除烟气中二氧化硫、氮氧化物、汞和多氯二苯并对二恶英/多氯二苯并呋喃的机理。论文深入探讨了活性焦的表面积、孔隙结构和官能团对污染物净化的影响。简明扼要地阐明了烟气成分和温度对减轻污染物的影响。总结了活性焦的改性方法和效果。还介绍了再生技术和吸附饱和活性焦的特性。它为活性焦工艺中的参数优化、工艺改进和协同去除污染物提供了参考。

引用次数: 0

Fast electron migration for efficient sodium desulfurization by producing activated sodium metal microspheres with large reaction interfaces 通过生产具有大反应界面的活性金属钠微球实现快速电子迁移，从而实现高效钠脱硫

IF 6.7 1区工程技术 Q2 ENERGY & FUELS

Fuel

Pub Date : 2024-11-13 DOI: 10.1016/j.fuel.2024.133659

Rongxin Zhu , Dongdong Yin , Xingwei Liu , Yuying Jiang , Feng Wang , Can Yuan , Wenbo Jiang , Jian Lu , Yuqing Sun , Yu Guo , Wenheng Jing

Achieving a highly efficient desulfurization of heavy feed oils using sodium metal remains challenging owing to its restricted reaction interface. Herein, membrane emulsification technology was adopted to produce monodisperse activated sodium metal (aNa) microspheres with considerably enhanced reaction interfaces for efficient desulfurization of benzothiophene (BT) without requiring a catalyst. By regulating membrane emulsification parameters, the molten sodium into the model oil using a membrane device, optimized aNa microspheres with a particle size of 27.71 μm and a large specific surface area of 2.17 × 10⁵ m²·m⁻³, which was 50–100 times larger than that of microspheres prepared via mechanical agitation, were obtained. On the basis of the rich reaction interfaces, the efficient sodium desulfurization would proceed via Coulomb-like explosion initiated by aNa to form solvated electrons and cleavage of the C–S bond at one end to generate C⁺, which trigger the final cleavage of the C–S bond in BT under the continued attack of the fast C⁺ electron cloud, together with the generation of styrene and sodium sulfide. With the assistance of hydrogenation, fast and efficient benzothiophene desulfurization was achieved with a desulfurization efficiency of > 90 % within 15 min under the optimized reaction conditions, i.e., reaction temperature, pressure, and Na/S ratio. This study provides a fast and efficient sulfur removal technology to replace conventional catalytic hydrodesulfurization.

由于金属钠的反应界面受到限制，因此使用金属钠实现重质原料油的高效脱硫仍具有挑战性。本文采用膜乳化技术生产单分散活性金属钠（aNa）微球，该微球的反应界面显著增强，无需催化剂即可实现苯并噻吩（BT）的高效脱硫。通过调节膜乳化参数，利用膜装置将熔融钠注入模型油中，获得了粒径为 27.71 μm、比表面积为 2.17 × 105 m2-m-3 的优化 aNa 微球，其比表面积是机械搅拌制备的微球的 50-100 倍。在丰富的反应界面基础上，高效钠脱硫将通过 aNa 引发的库仑样爆炸形成溶解电子，并在一端裂解 C-S 键生成 C+，在快速 C+电子云的持续攻击下引发 BT 中 C-S 键的最终裂解，同时生成苯乙烯和硫化钠。在氢化的辅助下，苯并噻吩实现了快速高效的脱硫，在优化的反应条件（即反应温度、压力和 Na/S 比）下，15 分钟内脱硫效率达 90%。这项研究为取代传统的催化加氢脱硫提供了一种快速高效的脱硫技术。

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引用次数: 0

Homogeneous-pore-creation in pitch-based carbon fibers by extraction-activation and their application as supports for catalytic hydrogenation 通过萃取-活化法在沥青基碳纤维中形成均匀孔隙并将其用作催化加氢的支持物

IF 6.7 1区工程技术 Q2 ENERGY & FUELS

Fuel

Pub Date : 2024-11-13 DOI: 10.1016/j.fuel.2024.133705

Shuo Li , Hexin Jiang , Xiangyi Long , Marcos Millan , Tiantian Li , Zhengwei Cui , Guanming Yuan

The homogeneous pore distribution and suitable pore size in porous carbons play a crucial role in enhancing the catalytic performance of carbon-supported catalysts. The strategic design and controllable preparation of porous carbon supports for heterogeneous catalysis still remain a challenge. This study employs a novel method of combining toluene Soxhlet extraction and steam activation to construct homogeneous pores in pitch-based carbon fibers (PCFs) for catalytic applications. The results show that toluene extraction creates abundant micropores in isotropic pitch fibers to form the primary pores, while subsequent steam activation further increases the porosity and pore volume of PCFs. Compared to single methods of toluene extraction or steam activation, this combined approach demonstrates a significant advantage in the design and creation of homogeneous micropores (0.5 ∼ 2.0 nm) in PCFs with a high specific surface area of 1169.0 m²/g. 10 wt% nanoscale Ni particles supported on the as-prepared porous PCFs exhibit exceptional catalytic performance in the hydrogenation of nitrobenzene to aniline. Under mild reaction conditions of 120 °C and 2 h, the conversion of nitrobenzene and the selectivity of aniline approach 96.4 % and 100 %, respectively, superior to those of reference Ni-based catalysts. This work provides a promising strategy for creating homogeneous micropores in PCFs, which are suitable as catalyst supports to achieve the catalytic synthesis of high value-added chemicals.

多孔碳中均匀的孔分布和合适的孔径对提高碳支撑催化剂的催化性能起着至关重要的作用。如何战略性地设计和可控地制备用于异相催化的多孔碳载体仍然是一个挑战。本研究采用甲苯索氏提取和蒸汽活化相结合的新方法，在沥青基碳纤维（PCF）中构建均相孔隙，用于催化应用。结果表明，甲苯萃取可在各向同性的沥青纤维中产生丰富的微孔，形成初级孔隙，而随后的蒸汽活化可进一步提高 PCF 的孔隙率和孔隙体积。与甲苯萃取或蒸汽活化的单一方法相比，这种组合方法在设计和制造 PCF 中的均匀微孔（0.5 ∼ 2.0 nm）方面具有显著优势，其比表面积高达 1169.0 m2/g。在硝基苯加氢制苯胺的过程中，支撑在制备的多孔 PCF 上的 10 wt%纳米级镍颗粒表现出优异的催化性能。在 120 °C 和 2 小时的温和反应条件下，硝基苯的转化率和苯胺的选择性分别达到 96.4% 和 100%，优于参考的镍基催化剂。这项工作为在 PCFs 中创建均相微孔提供了一种前景广阔的策略，PCFs 适合用作催化剂载体，以实现高附加值化学品的催化合成。

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引用次数: 0

A promising technical route for converting lignocellulose to bio-jet fuels based on bioconversion of biomass and coupling of aqueous ethanol: A techno-economic assessment 基于生物质的生物转化和乙醇水溶液耦合，将木质纤维素转化为生物喷气燃料的技术路线前景广阔：技术经济评估

IF 6.7 1区工程技术 Q2 ENERGY & FUELS

Fuel

Pub Date : 2024-11-13 DOI: 10.1016/j.fuel.2024.133670

Jinpeng Hong , Bo Chen , Tiejun Wang , Xuebing Zhao

A process for production of bio-jet fuel (sustainable aviation fuel, SAF) from lignocellulosic biomass by a novel technical route was designed. Techno-economic assessment of the process was further performed in the Chinese context. The route primarily included a first step of bioethanol production from bioconversion of biomass and a second step of hydrocarbon fuel production from aqueous ethanol by C–C coupling followed by hydrodeoxygenation (HDO). Two Cases were considered, in which wheat straw (WS, Case I) and industrial cellulosic residue (ICR, Case II) were employed as feedstock, respectively. As revealed by the assessment results, the consumption of biomass feedstock is 7.2 tonnes WS (5 % moisture content) or 16.0 tonnes ICR (45 % moisture content)/tonne bio-jet fuel for Case I and II processes, respectively. For a plant with an annual capacity of ∼20,000 tonnes bio-jet fuel, a total capital investment of 382 MM CNY is needed for Case I project, while 368 MM CNY needed for Case II project. The minimal selling prices (MSPs) of the bio-jet fuel to achieve zero net present value (NPV = 0) at a discount rate of 10 % are 12,258 CNY/tonne and 8952 CNY/tonne for Case I and II processes, respectively. The price of WS or ICR is the most sensitive factor affecting the MSP. For Case II project, the selling price of by-product steam also shows very significant impact on the MSP. Monte-Carlo simulation for risk analysis suggests that there is a high probability (96.66 %) for Case I plant to be profitable, while the probability of Case II plant is even as high as 99.99 % at the current price of bio-jet fuel (15,000 CNY/tonne). This work thus can provide important economic information for production of bio-jet fuel from lignocellulosic biomass by this novel route.

设计了一种利用木质纤维素生物质通过新技术路线生产生物喷气燃料（可持续航空燃料，SAF）的工艺。根据中国的国情，进一步对该工艺进行了技术经济评估。该工艺路线主要包括第一步通过生物质的生物转化生产生物乙醇，第二步通过 C-C 偶联和加氢脱氧（HDO）从水乙醇中生产碳氢化合物燃料。考虑了两种情况，分别采用小麦秸秆（WS，情况 I）和工业纤维素残渣（ICR，情况 II）作为原料。评估结果显示，情况 I 和情况 II 的生物质原料消耗量分别为 7.2 吨 WS（含水率 5%）或 16.0 吨 ICR（含水率 45%）/吨生物喷气燃料。对于年产 ∼ 20,000 吨生物喷气燃料的工厂，情况 I 项目需要总资本投资 3.82 亿元人民币，情况 II 项目需要 3.68 亿元人民币。在贴现率为 10%的情况下，要实现零净现值（NPV = 0），生物喷气燃料的最低销售价格（MSP）分别为 12,258 元人民币/吨和 8952 元人民币/吨（案例 I 和案例 II）。WS 或 ICR 的价格是影响 MSP 的最敏感因素。对于案例 II 项目，副产品蒸汽的销售价格对 MSP 的影响也非常大。Monte-Carlo 模拟风险分析表明，案例 I 工厂盈利的概率很高（96.66%），而案例 II 工厂在当前生物喷气燃料价格（15,000 元人民币/吨）下的盈利概率甚至高达 99.99%。因此，这项工作可以为利用木质纤维素生物质通过这种新型路线生产生物喷气燃料提供重要的经济信息。

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