Fuel Processing Technology最新文献_第2页

Enhanced steam and sulfur resistance of Ni-based catalysts in LPG steam reforming via trace pt-induced hydrogen spillover 镍基催化剂在微量铂致氢外溢液化石油气蒸汽重整中的抗蒸汽和抗硫性能

IF 7.7 2区工程技术 Q1 CHEMISTRY, APPLIED

Fuel Processing Technology

Pub Date : 2025-12-05 DOI: 10.1016/j.fuproc.2025.108371

Yi Lin , Yulong Wang , Hongxiang Huang , Feng Wang , Zaixing Wang , Shi Jiang , Xiaoqin Liu , Yu Guo

This study focuses on a Pt-promoted Ni/NiAl (Ni/NiO-Al₂O₃) catalyst for butane steam reforming, designed to overcome hydrothermal oxidation and sulfur poisoning in Ni-based systems. A series of Ni/Al (Ni/Al₂O₃) and Ni/NiO-Al₂O₃ catalysts, with and without Pt modification, were synthesized and systematically evaluated under severe reforming conditions. Compared with conventional Ni/Al, Ni/NiAl exhibited stronger metal-support interaction through NiAl₂O₄ formation but suffered rapid deactivation in steam-rich and sulfur-containing atmospheres. Incorporating 0.5 wt% Pt markedly improved stability, maintaining high activity and hydrogen selectivity during both steam and H₂S exposure. Characterization by XRD, TEM, H₂-TPR, and XPS revealed that Pt induces a synergistic protection mechanism, in which hydrogen spillover dynamically regenerates oxidized Ni species and weakens NiS interactions. This effect reduces sulfur coverage on active Ni sites, preserving highly dispersed metallic Ni⁰. Time-resolved outlet gas analysis further indicated that sulfur preferentially deactivates reforming sites, followed by progressive inhibition of the water-gas shift reaction via a COS-mediated pathway. The catalyst demonstrated excellent stability under 5 ppm H₂S at 850 °C, confirming the dual protective role of Pt against oxidation and sulfur poisoning. These findings provide mechanistic insights and design principles for robust, regenerable Ni-based catalysts tailored for distributed hydrogen production from LPG.

本文研究了一种用于丁烷蒸汽重整的pt促进Ni/NiAl （Ni/NiO-Al2O3）催化剂，旨在克服Ni基体系中的水热氧化和硫中毒。合成了一系列Ni/Al （Ni/Al2O3）和Ni/NiO-Al2O3催化剂，并在苛刻的重整条件下进行了系统的评价。与传统的Ni/Al相比，Ni/NiAl通过NiAl2O4的形成表现出更强的金属-载体相互作用，但在富蒸汽和含硫气氛中迅速失活。加入0.5 wt% Pt显著提高了稳定性，在蒸汽和H2S暴露下保持高活性和氢选择性。XRD、TEM、H2-TPR和XPS表征表明，Pt诱导了一种协同保护机制，在该机制中，氢溢出动态地再生氧化的Ni，并减弱了Ni的相互作用。这种效应减少了活性Ni位点上的硫覆盖，保留了高度分散的金属Ni0。时间分辨出口气体分析进一步表明，硫优先使重整位点失活，随后通过cos介导的途径逐步抑制水煤气转移反应。该催化剂在850℃下5ppm H2S条件下表现出优异的稳定性，证实了Pt对氧化和硫中毒的双重保护作用。这些发现为稳健的、可再生的镍基催化剂提供了机理见解和设计原则，这些催化剂专为分布式液化石油气制氢而设计。

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引用次数: 0

Evolution characteristics and mechanisms of molecular structures of shale Kerogen during structural deformation 构造变形过程中页岩干酪根分子结构演化特征及机制

IF 7.7 2区工程技术 Q1 CHEMISTRY, APPLIED

Fuel Processing Technology

Pub Date : 2025-12-05 DOI: 10.1016/j.fuproc.2025.108374

Li Fengli , Jiang Bo , Cheng Guoxi

Revealing the impact of tectonic stresses on shale kerogen molecules sheds light on the evolution mechanisms of shale organic matter. In this study, we first extracted shale kerogen samples from the undeformed and tectonically deformed shale (TDS) and then investigated how shale kerogen molecular structures respond to structural deformation by combining Fourier transform infrared spectroscopy (FTIR), Raman spectroscopy, and X-ray photoelectron spectroscopy (XPS). The result showed that structural deformation reduced the complexity and branching degree of molecular structures by promoting the breaking of aliphatic side chains and increased the aromaticity and structural order of kerogen molecules by enhancing condensation of aromatic rings. Additionally, shale kerogen displayed a relative enrichment of carbon by removing oxygen-, nitrogen-, and sulfur-containing functional groups. The removal of oxygen-containing functional groups was the most significant, showing a trend of “C-O bonds within aliphatic functional groups > C-O bonds within aromatic functional groups > C=O bonds within functional groups”. In general, the evolution of kerogen molecular structures caused by brittle and ductile deformation followed largely consistent patterns. However, the influence of ductile deformation was much more significant and pronounced than that of brittle deformation, and weak brittle deformation had little impact on kerogen molecular structures.

揭示构造应力对页岩干酪根分子的影响有助于揭示页岩有机质的演化机制。本研究首先从未变形和构造变形的页岩（TDS）中提取页岩干酪根样品，然后结合傅里叶变换红外光谱（FTIR）、拉曼光谱（Raman spectroscopy）和x射线光电子能谱（XPS）研究页岩干酪根分子结构对结构变形的响应。结果表明，结构变形通过促进脂肪侧链的断裂降低了分子结构的复杂性和分支度，通过促进芳烃环的缩聚提高了干酪根分子的芳香性和结构有序度。此外，页岩干酪根通过去除含氧、含氮和含硫官能团表现出碳的相对富集。含氧官能团的去除最为显著，呈现出“脂肪族官能团内C-O键>；芳香官能团内C-O键>；官能团内C=O键”的趋势。总的来说，由脆性变形和韧性变形引起的干酪根分子结构的演化遵循基本一致的模式。而延性变形对干酪根分子结构的影响远比脆性变形显著，弱脆性变形对干酪根分子结构的影响较小。

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引用次数: 0

Improvement of particulate matter emission from biomass pellet fuel combustion by adding pulping effluent during preparation 制备过程中加入制浆废液改善生物质颗粒燃料燃烧中颗粒物排放

IF 7.7 2区工程技术 Q1 CHEMISTRY, APPLIED

Fuel Processing Technology

Pub Date : 2025-12-05 DOI: 10.1016/j.fuproc.2025.108369

Zhaoxiang Liu , Guihua Yang , Yu Xue , Kai Zhang , Peng Gan , Kefeng Liu , Lingsong Meng , Peihua Zhu

Low particulate matter(PM) emissions are a research hotspot pursued in biomass fuel fields. Herein, pulping effluent, an industrial byproduct of the pulping industry, was employed to prepare biomass pellet fuel by combining with reed residue through biomass densification technology. The pyrolysis behavior of pellet fuel particle size and concentration of PM emissions, as well as the composition of solid residual after combustion were investigated to study the influence mechanism of pulping effluent on PM emissions. Results showed that the organic component in pulping effluent can act as adhesive to endow pellet fuel with high density, which effectively enhanced the mechanical properties of pellet fuel by 46 % and notably reduced the concentration and size of PM emission by hindering the discharge of alkaline metals. Meanwhile, the mineral in pulping effluent diminished the production of PM pollutants via limiting the conversion of alkaline metals to PM. The concentration of PM emissions of pellet fuel at 10 % pulping effluent addition was 0.15 mg/g, significantly lower than that of pellet fuel without pulping effluent(4.05 mg/g), representing a 96 % reduction. The beneficial effect of pulping effluent addition on the discharge of PM pollutants can provide a new approach to construct high-performance biomass-based pellet fuels.

低颗粒物（PM）排放是生物质燃料领域的研究热点。本文以制浆工业副产品制浆废水为原料，通过生物质致密化技术，与芦苇渣结合制备生物质颗粒燃料。研究了颗粒燃料的热解行为、颗粒大小和PM排放浓度以及燃烧后固体残留物的组成，研究了制浆废水对PM排放的影响机理。结果表明，制浆废水中的有机成分可以作为粘合剂赋予颗粒燃料高密度，有效提高颗粒燃料的力学性能46%，并通过阻碍碱金属的排放显著降低PM排放浓度和粒径。同时，制浆废水中的矿物通过限制碱金属向PM的转化，减少了PM污染物的产生。添加10%制浆废水的颗粒燃料的PM排放浓度为0.15 mg/g，显著低于未添加制浆废水的颗粒燃料（4.05 mg/g），减少了96%。制浆废液添加对PM污染物排放的有利影响为构建高性能生物质颗粒燃料提供了新的途径。

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引用次数: 0

Study on the influence of particle size and heating rate on pyrolysis characteristics and kinetics of Xinjiang high-chlorine coal 粒度和升温速率对新疆高氯煤热解特性及动力学的影响研究

IF 7.7 2区工程技术 Q1 CHEMISTRY, APPLIED

Fuel Processing Technology

Pub Date : 2025-12-05 DOI: 10.1016/j.fuproc.2025.108376

Xiangyong Zheng , Feng Wang , Jianjiang Wang , Bo Wei , Kunpeng Liu , Shan Wang , Rui Ma , Lijuan Chen , Maierhaba Abudoureheman

Xinjiang high‑chlorine coal has abundant reserves, but its high chlorine content causes slagging, ash deposition and equipment corrosion during pyrolysis, limiting its large-scale utilization. This study investigated the effects of particle size (54–200 μm) and heating rate (10–30 °C/min) on the pyrolysis characteristics and kinetics of Shaerhu coal (SEH) using TG-DTG analysis, the Coats-Redfern method and model-free methods. SEH pyrolysis involved three stages, with weight loss peaks near 100 °C, 450 °C and 715 °C. SHE's peak mass loss rate temperature was 10–30 °C lower than other low-rank coals. Larger particles significantly increased the weight loss rate, peaking at 0.1164 %/°C for 150–200 μm. Higher heating rates shifted DTG curves upper right, reduced mass loss rates and increased thermal hysteresis. C-R method indicated that in Stage I, higher heating rates raised activation energy (E). In Stage II, particle size influenced E more than heating rate. In Stage III, larger particles had lower E (19.51–34.09 kJ·mol⁻¹ reduction from 54–76 to 150–200 μm). Model-free methods showed consistent E trends, but generally Friedman > FWO > KAS. A notable E decrease occurred at 0.8 conversion for 54–76 μm particles, while 150–200 μm particles declined gradually from 220 kJ·mol^-‍1 after 0.4 conversion.

新疆高氯煤储量丰富，但高氯煤在热解过程中会产生结渣、结灰和设备腐蚀等问题，限制了其规模化利用。采用TG-DTG法、Coats-Redfern法和无模型法研究了粒径（54 ~ 200 μm）和升温速率（10 ~ 30°C/min）对沙尔湖煤（SEH）热解特性和动力学的影响。SEH热解分为三个阶段，失重峰分别在100℃、450℃和715℃附近。SHE的最大失重速率温度比其他低阶煤低10 ~ 30℃。较大的颗粒显著增加了失重速率，在150 ~ 200 μm范围内失重速率达到0.1164 %/°C。较高的升温速率使DTG曲线右上方偏移，降低了质量损失率，增加了热滞后。C-R法表明，在第一阶段，较高的加热速率提高了活化能(E)。在第二阶段，粒径对E的影响大于升温速率。在第三阶段，颗粒越大，E值越低（从54 ~ 76 μm降低到150 ~ 200 μm， E值降低19.51 ~ 34.09 kJ·mol−1）。无模型方法显示出一致的E趋势，但一般为Friedman >； two >； KAS。转化率为0.8时，54 ~ 76 μm颗粒的E值显著降低，而转化率为0.4时，150 ~ 200 μm颗粒的E值从220 kJ·mol-‍1逐渐下降。

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引用次数: 0

Effects of flame arrester on H2-Air detonation under different initial pressure propagation in the T-shaped pipeline 阻火器对t型管道中不同初始压力传播下h2 -空气爆轰的影响

IF 7.7 2区工程技术 Q1 CHEMISTRY, APPLIED

Fuel Processing Technology

Pub Date : 2025-12-05 DOI: 10.1016/j.fuproc.2025.108375

Lianzhuo Zhang, Xiaoyang Liu, Xingqing Yan, Jianliang Yu

Experimentally investigated stoichiometric hydrogen-air mixture detonation propagation under initial pressures from 30 kPa to 100 kPa in a T-shaped pipeline. The numerical simulation revealed the detonation wave propagation mechanism in the flame arrester chamber. The velocity and dynamic pressure were obtained as the aspect ratio (L/h) of flame-arresting elements increased from 60 to 600. The results show that detonation under initial pressure below 70 kPa will quench in L/h > 120, but re-detonation happens in L/h < 120. The detonation attenuation is enhanced with L/h increases and initial pressure decreases; the attenuation intensity increases sharply when 180 < L/h < 300 and decreases when L/h > 300. The flame passing through the flame arrester will propagate into bifurcated pipes, with attenuation in the horizontal pipe more significant than in the vertical pipe. As the L/h increases, the flame attenuation when passing the T-junction intensifies when L/h < 120 and diminishes when L/h > 180, and the flame accelerates when L/h is 60. The flame arrester's outlet velocity becomes the most significant factor determining the flame attenuation in the T-junction.

实验研究了初始压力为30 ~ 100 kPa的t型管道中氢气-空气混合爆轰传播的化学计量学。数值模拟揭示了爆震波在阻火器腔内的传播机理。当阻焰元件展弦比（L/h）从60增加到600时，得到了阻焰元件的速度和动压力。结果表明：在初始压力低于70 kPa时，爆轰在L/h >； 120内淬灭，在L/h <； 120内发生再爆轰；爆轰衰减随L/h的增大和初始压力的减小而增强；当180 <； L/h <； 300时衰减强度急剧增大，当L/h >； 300时衰减强度减小。通过阻火器的火焰会传播到分叉的管道中，在水平管道中的衰减比在垂直管道中的衰减更显著。随着L/h的增大，当L/h <； 120时火焰通过t型结衰减加剧，当L/h >； 180时衰减减弱，当L/h为60时火焰加速。阻火器出口速度成为决定t型结火焰衰减的最重要因素。

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引用次数: 0

CexFeyO catalysts for efficient char-CO2 gasification: Tuning oxygen vacancies and redox properties 高效炭- co2气化的cefeyo催化剂：调整氧空位和氧化还原性能

IF 7.7 2区工程技术 Q1 CHEMISTRY, APPLIED

Fuel Processing Technology

Pub Date : 2025-12-05 DOI: 10.1016/j.fuproc.2025.108378

Yinglu Zhang , Yun Hao , Weiwei Wu , Ruijie Liang , Shihao Lv , Wenran Gao , Zhiliang Wu , Yan Chen , Shu Zhang

This study investigates the catalytic mechanisms and performance of Ce_xFe_yO catalysts in the CO₂ gasification of straw char. A series of Ce_xFe_yO catalysts were synthesized via a hydrothermal method, and systematically evaluated in a fixed-bed reactor. Physicochemical characterization revealed a four-stage phase evolution (single CeO₂, CeO₂-dominant, CeO₂-Fe₂O₃ composite, and Fe₂O₃-dominant phases), each one with distinct electronic and structural properties directly governing gasification activity. Gasification tests demonstrated strong composition dependence, with different activity trends in the Ce-rich and Fe-rich regimes. In the Ce-rich regime, catalytic activity first increased and then declined as Fe doping rose, with Ce_0.7Fe_0.3 catalyst showing the highest reactivity (c(CO)/c(CO₂) = 0.53). In contrast, in the Fe-rich range, Ce_0.2Fe_0.8 catalyst achieved the best performance (c(CO)/c(CO₂) = 0.71). Further investigations showed that annealing time had little effect on catalytic activity, while NaBH₄ reduction-etching improved performance at high concentrations, with 16 mL of NaBH₄-treated catalyst (Ce_0.8Fe_0.2-16_Re) demonstrating the highest activity. Residual char analyses confirms that Ce-rich catalysts promote oxygen-vacancy redox cycles leading to pore collapse, while Fe-rich catalysts rely on Fe redox cycling to induce mesopore formation. Therefore, this study elucidates the structure-activity relationship of Ce_xFe_yO catalysts and highlights defect engineering as a viable strategy for developing efficient, low-cost catalysts for solid waste gasification.

研究了cefeyo催化剂在秸秆炭CO2气化过程中的催化机理和性能。采用水热法合成了一系列cefeyo催化剂，并在固定床反应器上进行了系统评价。物理化学表征显示了四个阶段的相演化（单一CeO2相、CeO2-优势相、CeO2- fe2o3复合相和fe2o3 -优势相），每个阶段都具有不同的电子和结构性质，直接控制气化活性。气化试验显示出强烈的组分依赖性，在富ce和富fe状态下具有不同的活性趋势。在富ce区，随着Fe掺杂量的增加，催化活性先上升后下降，Ce0.7Fe0.3催化剂的反应活性最高(c（CO)/c(CO2) = 0.53）。相反，在富铁范围内，Ce0.2Fe0.8催化剂的性能最好(c（CO)/c(CO2) = 0.71）。进一步的研究表明，退火时间对催化活性影响不大，而NaBH4还原蚀刻在高浓度下提高了催化活性，其中16 mL NaBH4处理的催化剂（Ce0.8Fe0.2-16Re）表现出最高的活性。残炭分析证实富ce催化剂促进氧空位氧化还原循环导致孔隙坍塌，而富Fe催化剂则依靠Fe氧化还原循环诱导介孔形成。因此，本研究阐明了cefeyo催化剂的构效关系，并强调缺陷工程是开发高效、低成本固体废物气化催化剂的可行策略。

{"title":"CexFeyO catalysts for efficient char-CO2 gasification: Tuning oxygen vacancies and redox properties","authors":"Yinglu Zhang , Yun Hao , Weiwei Wu , Ruijie Liang , Shihao Lv , Wenran Gao , Zhiliang Wu , Yan Chen , Shu Zhang","doi":"10.1016/j.fuproc.2025.108378","DOIUrl":"10.1016/j.fuproc.2025.108378","url":null,"abstract":"<div><div>This study investigates the catalytic mechanisms and performance of Ce<sub>x</sub>Fe<sub>y</sub>O catalysts in the CO<sub>2</sub> gasification of straw char. A series of Ce<sub>x</sub>Fe<sub>y</sub>O catalysts were synthesized via a hydrothermal method, and systematically evaluated in a fixed-bed reactor. Physicochemical characterization revealed a four-stage phase evolution (single CeO<sub>2</sub>, CeO<sub>2</sub>-dominant, CeO<sub>2</sub>-Fe<sub>2</sub>O<sub>3</sub> composite, and Fe<sub>2</sub>O<sub>3</sub>-dominant phases), each one with distinct electronic and structural properties directly governing gasification activity. Gasification tests demonstrated strong composition dependence, with different activity trends in the Ce-rich and Fe-rich regimes. In the Ce-rich regime, catalytic activity first increased and then declined as Fe doping rose, with Ce<sub>0.7</sub>Fe<sub>0.3</sub> catalyst showing the highest reactivity (c(CO)/c(CO<sub>2</sub>) = 0.53). In contrast, in the Fe-rich range, Ce<sub>0.2</sub>Fe<sub>0.8</sub> catalyst achieved the best performance (c(CO)/c(CO<sub>2</sub>) = 0.71). Further investigations showed that annealing time had little effect on catalytic activity, while NaBH<sub>4</sub> reduction-etching improved performance at high concentrations, with 16 mL of NaBH<sub>4</sub>-treated catalyst (Ce<sub>0.8</sub>Fe<sub>0.2</sub>-16<sub>Re</sub>) demonstrating the highest activity. Residual char analyses confirms that Ce-rich catalysts promote oxygen-vacancy redox cycles leading to pore collapse, while Fe-rich catalysts rely on Fe redox cycling to induce mesopore formation. Therefore, this study elucidates the structure-activity relationship of Ce<sub>x</sub>Fe<sub>y</sub>O catalysts and highlights defect engineering as a viable strategy for developing efficient, low-cost catalysts for solid waste gasification.</div></div>","PeriodicalId":326,"journal":{"name":"Fuel Processing Technology","volume":"280 ","pages":"Article 108378"},"PeriodicalIF":7.7,"publicationDate":"2025-12-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145681083","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Synthesis of imidazolium based gemini surfactants with ultralow critical micelle concentration for chemical enhanced oil recovery process 超低临界胶束浓度咪唑基gemini表面活性剂的合成

IF 7.7 2区工程技术 Q1 CHEMISTRY, APPLIED

Fuel Processing Technology

Pub Date : 2025-11-21 DOI: 10.1016/j.fuproc.2025.108363

Ghazal Hoseintabar , Mostafa Lashkarbolooki , Turaj Behrouz

A novel imidazolium-based ionic liquid ([HC₁₄Im]Br) and two gemini cationic surfactants with different spacers constructed based on this ionic liquid (IL) monomer, abbreviated to [HC₁₄Im-S-HC₁₄Im]Br₂, where S represents the spacer including propane 2-bromoacetate S1 (C₇H₁₀O₄Br₂) and hydroxypropane 2-bromoacetate S2 (C₇H₁₀O₅Br₂), were designed and synthesized. The characterization results confirm the structure of obtained surfactants. The results also confirmed that both GSs have higher surface activities compared to the conventional monomeric ionic liquid. Based on the surface tension of surfactant solutions (γ) and interfacial tensions (IFTs) of crude oil/surfactant solutions (σ), the effect of the hydroxyl functional group in the spacer on CMC, the γ and γ at the CMC point, and surface activities were evaluated. The lowest CMC value with high surface activity was achieved for [HC₁₄Im-S-HC₁₄Im]Br₂ gemini surfactant with the spacer of C₇H₁₀O₅Br₂ (CMC = 1.4 × 10⁻⁶ mol/L based on SFT measurement and CMC = 3.13 × 10⁻⁶ mol/L based on IFT measurement). Ultralow IFT value after CMC point (σ < 0.1 mN/m) and wettability alteration toward neutral (θ = 88° at 4.64 × 10⁻⁷ mol/L) and water-wet (θ = 55° at 1.16× 10⁻⁷ mol/L) states lead to outstanding spreading coefficient and capillary number improvements.

设计并合成了一种新型咪唑离子液体（[HC14Im]Br）和基于该离子液体（IL）单体构建的两种具有不同间隔剂的gemini阳离子表面活性剂，简称[HC14Im-S-HC14Im]Br2，其中S为间隔剂，包括2-溴乙酸丙烷S1 （C7H10O4Br2）和2-溴乙酸羟丙烷S2 （C7H10O5Br2）。表征结果证实了所得表面活性剂的结构。结果还证实，与传统的单体离子液体相比，这两种GSs具有更高的表面活性。基于表面活性剂溶液的表面张力（γ）和原油/表面活性剂溶液的界面张力（IFTs）（σ），评价了隔离剂中羟基官能团对CMC、CMC点的γ和γ以及表面活性的影响。以C7H10O5Br2为间隔剂的[HC14Im-S-HC14Im]Br2 gemini表面活性剂获得了具有较高表面活性的最低CMC值（SFT测量CMC = 1.4 × 10−6 mol/L， IFT测量CMC = 3.13 × 10−6 mol/L）。CMC点后的超低IFT值（σ < 0.1 mN/m）和润湿性向中性（4.64 × 10−7 mol/L时θ = 88°）和水湿（1.16× 10−7 mol/L时θ = 55°）转变，显著提高了扩散系数和毛细数。

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引用次数: 0

Selective hydrodeoxygenation of BHET using bimetallic Pt–Sn/γ-Al2O3 catalysts: Catalyst design, reaction pathway, and performance evaluation Pt-Sn /γ-Al2O3双金属催化剂选择性加氢脱氧BHET：催化剂设计、反应途径及性能评价

IF 7.7 2区工程技术 Q1 CHEMISTRY, APPLIED

Fuel Processing Technology

Pub Date : 2025-11-19 DOI: 10.1016/j.fuproc.2025.108367

Syarif Hidayat , Jeonghun Han , Jinsoo Kim , Hyun Tae Hwang , Xinxing Zhou , Jong In Choi , Haoxing Zhang , Do-Young Hong , Jeong-Myeong Ha , Seung-Soo Kim

In this research, bis(2-hydroxyethyl) terephthalate (BHET), an essential monomer obtained from the glycolysis of PET, served as a model compound for hydrodeoxygenation (HDO) over bimetallic Pt-Sn/γ-Al₂O₃ catalysts within a fixed-bed reactor at atmospheric pressure. A series of catalysts with varying Pt/Sn ratios (Pt7Sn3, Pt7.5Sn2.5, Pt8Sn2, and Pt8.5Sn1.5) were prepared via incipient wetness impregnation method and extensively characterized using XRD, BET, H₂-TPR, NH₃-TPD, SEM-EDX, and XPS. Among the formulations, Pt7.5Sn2.5 exhibited optimal performance, achieving complete BHET conversion (100 %) and a deoxygenation degree of 94 % at 400 °C, with high selectivity toward benzene (40.56 %), toluene (7.59 %), and ethylbenzene (45.42 %). This superior activity is attributed to the synergistic interaction between Pt and Sn, which promotes efficient CO bond cleavage while minimizing over‑hydrogenation and cracking. Temperature studies revealed 400 °C to be the most favorable temperature for hydrocarbon selectivity and minimal gas-phase carbon loss, while 5 h time on stream testing confirmed catalyst with minimal coke formation. Reaction pathway analysis showed that BHET deoxygenation proceeded via benzoic acid and benzaldehyde intermediates. This study highlights the potential of PtSn catalysts to enable the mild and efficient deoxygenation of PET-derived compounds, promoting the sustainable upcycling of polyester waste. The proposed strategy provides a scalable and practical route for the chemical recycling of PET, contributing to a circular economy in plastic waste management.

在本研究中，从PET糖醇解中获得的重要单体-对苯二甲酸双（2-羟乙基）酯（BHET）在常压固定床反应器中作为双金属Pt-Sn/γ-Al2O3催化剂上加氢脱氧（HDO）的模型化合物。采用初湿浸渍法制备了不同Pt/Sn比的Pt7Sn3、Pt7.5Sn2.5、Pt8Sn2和Pt8.5Sn1.5催化剂，并用XRD、BET、H2-TPR、NH₃-TPD、SEM-EDX和XPS对其进行了表征。其中，Pt7.5Sn2.5表现出最优的性能，在400℃下实现了完全的bet转化率（100%）和94%的脱氧度，对苯（40.56%）、甲苯（7.59%）和乙苯（45.42%）具有较高的选择性。这种优异的活性归因于Pt和Sn之间的协同作用，促进了CO键的有效裂解，同时最大限度地减少了过氢化和裂解。温度研究表明，400°C是对烃类选择性和最小气相碳损失最有利的温度，而5 h的流上测试证实催化剂具有最小的焦炭形成。反应途径分析表明，BHET是通过苯甲酸和苯甲醛中间体进行脱氧的。本研究强调了PtSn催化剂的潜力，使pet衍生化合物能够温和有效地脱氧，促进聚酯废物的可持续升级回收。提出的战略为PET的化学回收提供了一条可扩展和实用的途径，有助于塑料废物管理的循环经济。

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引用次数: 0

Regenerative HMFI@Zeolite fixed-bed column for the treatment of petroleum-produced water: An examination of operational conditions and quantum chemical interaction mechanisms 再生式HMFI@Zeolite石油采出水处理固定床柱：操作条件和量子化学相互作用机制的检验

IF 7.7 2区工程技术 Q1 CHEMISTRY, APPLIED

Fuel Processing Technology

Pub Date : 2025-11-19 DOI: 10.1016/j.fuproc.2025.108365

Lorenzo da Silva Migliorin , Suliman Yousef Alomar , Yasmin Vieira , Glaydson Simões dos Reis , Sergio Luiz Jahn , Edson Luiz Foletto , Guilherme Luiz Dotto

A key challenge in fixed-bed adsorption systems is balancing high contaminant removal with long-term stability and a mechanistic understanding at the molecular level. This work demonstrates that a hierarchical MFI-type zeolite (HMFI@Z), when used in a regenerative fixed-bed column, efficiently removes cyclohexane carboxylic acid (ACHC) from petroleum-produced water under realistic conditions. Operational optimization revealed that higher feed concentrations and flow rates accelerated breakthrough and column exhaustion, with a maximum uptake of 3.44 mg g⁻¹ under 35 mg L⁻¹ and 10 mL min⁻¹. Validation with real effluent yielded a removal efficiency of 58.15 %, breakthrough at 10 min, and complete saturation at 80 min. Dynamic models showed excellent agreement with experimental data, supporting the scalability of the process. The adsorbent maintained over 80 % adsorption capacity across 17 recycles, underscoring its long-term reusability. High performance was attributed to the material's surface acidity, hierarchical porosity, and stable electronic features. Quantum chemical calculations revealed that deprotonated HMFI@Z surfaces — particularly O⁻ sites — act as the most reactive centers for ACHC binding. Key electronic descriptors corroborated the experimentally observed interactions and regeneration behavior. Two main interaction pathways were identified: (i) hydrogen bonding and electrostatic interactions dominating initial adsorption, and (ii) electron donor–acceptor mechanisms contributing to retention and stability. These results advance fundamental understanding of interaction mechanisms in zeolitic adsorption systems and highlight HMFI@Z as a recyclable, robust material for treating petroleum-derived effluents.

固定床吸附系统的一个关键挑战是平衡高污染物去除与长期稳定性和分子水平上的机制理解。这项工作证明，当在再生固定床柱中使用层次化mfi型沸石（HMFI@Z）时，在实际条件下可以有效地从采出水中去除环己烷羧酸（ACHC）。操作优化表明，较高的进料浓度和流速加速了突破和柱衰竭，在35 mg L−1和10 mL min−1条件下，最大吸收率为3.44 mg g−1。实际出水验证的去除效率为58.15%，在10分钟内突破，在80分钟内完全饱和。动态模型与实验数据吻合良好，支持了该工艺的可扩展性。该吸附剂在17次循环中保持了80%以上的吸附容量，强调了其长期可重复使用性。高性能归功于材料的表面酸度，分层孔隙率和稳定的电子特性。量子化学计算表明，去质子化HMFI@Z表面-特别是O -位点-是ACHC结合最活跃的中心。关键的电子描述证实了实验观察到的相互作用和再生行为。确定了两种主要的相互作用途径：(i)氢键和静电相互作用主导了初始吸附，以及（ii）电子供体-受体机制有助于保留和稳定性。这些结果促进了对沸石吸附系统中相互作用机制的基本理解，并强调HMFI@Z是一种可回收的、坚固的处理石油衍生废水的材料。

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引用次数: 0

Inorganic matter partitioning in boilers with grate burners and rated output below 25 kW: Ash type and particle forming elements 额定功率低于25kw的篦式燃烧器锅炉中的无机物分配：灰分类型和颗粒形成元素

IF 7.7 2区工程技术 Q1 CHEMISTRY, APPLIED

Fuel Processing Technology

Pub Date : 2025-11-18 DOI: 10.1016/j.fuproc.2025.108368

Jakub Lachman, Marek Baláš, Martin Lisý, Tereza Zlevorová, Hana Lisá

The inorganic matter of solid biofuels can be categorized into three different ash types: type-S (Si, Al, Fe, Ti), type-K (K, Na, P, Cl, S) and type-C (Ca, Mg, Mn). A total of 9 different biofuels (3 for each ash type) has been analyzed and then combusted in a 25 kW grate fired boiler. Emission factors and partitioning of typical particle forming elements (Ca, K, Na, P and Zn) were determined and show a strong correlation (R² = 0.88) with their content in the feedstock. Additionally, gaseous emissions, particle size distribution and emission factors of other major and trace elements were also established. The total ash content of the tested biofuels varied from 0.4 % for spruce up to 32.9 % for paper, however most fuels contained between 5 and 10 %. The emission factors show that the most prevalent element in the flue gas was K (generally contributing over 25 % to total particulate emissions). The release of K into the flue gas varied, with type-K fuels reaching values over 10 %, while type-S fuels only around 6 %, most likely due to the formation of refractory aluminosilicate phases. Moreover, with growing K release, the particle size distribution gradually shifted from 0.14 up to 0.59 μm.

固体生物燃料的无机物可分为三种不同的灰分类型：S型（Si, Al, Fe, Ti）， K型（K, Na， P, Cl， S）和c型（Ca, Mg, Mn）。总共分析了9种不同的生物燃料（每种灰类型3种），然后在25千瓦的炉排燃烧锅炉中燃烧。对典型颗粒形成元素（Ca、K、Na、P和Zn）的发射因子和分配进行了测定，发现它们与原料中Ca、K、Na、P和Zn的含量有很强的相关性（R2 = 0.88）。此外，还建立了其他主要元素和微量元素的气体排放、粒度分布和排放因子。测试生物燃料的总灰分含量从云杉的0.4%到纸张的32.9%不等，但大多数燃料的灰分含量在5%到10%之间。排放因子表明，烟气中最普遍的元素是K（通常占颗粒物排放总量的25%以上）。释放到烟气中的K含量各不相同，K型燃料达到10%以上，而s型燃料只有6%左右，很可能是由于难熔铝硅酸盐相的形成。随着K释放量的增加，粒径分布由0.14 μm逐渐增大到0.59 μm。

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