Pub Date : 2025-12-05Epub Date: 2025-12-01DOI: 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.
{"title":"Evolution characteristics and mechanisms of molecular structures of shale Kerogen during structural deformation","authors":"Li Fengli , Jiang Bo , Cheng Guoxi","doi":"10.1016/j.fuproc.2025.108374","DOIUrl":"10.1016/j.fuproc.2025.108374","url":null,"abstract":"<div><div>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.</div></div>","PeriodicalId":326,"journal":{"name":"Fuel Processing Technology","volume":"280 ","pages":"Article 108374"},"PeriodicalIF":7.7,"publicationDate":"2025-12-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145681081","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}
Pub Date : 2025-12-05Epub Date: 2025-12-06DOI: 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.
{"title":"Study on the influence of particle size and heating rate on pyrolysis characteristics and kinetics of Xinjiang high-chlorine coal","authors":"Xiangyong Zheng , Feng Wang , Jianjiang Wang , Bo Wei , Kunpeng Liu , Shan Wang , Rui Ma , Lijuan Chen , Maierhaba Abudoureheman","doi":"10.1016/j.fuproc.2025.108376","DOIUrl":"10.1016/j.fuproc.2025.108376","url":null,"abstract":"<div><div>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 (<em>E</em>). In Stage II, particle size influenced <em>E</em> more than heating rate. In Stage III, larger particles had lower <em>E</em> (19.51–34.09 kJ·mol<sup>−1</sup> reduction from 54–76 to 150–200 μm). Model-free methods showed consistent <em>E</em> trends, but generally Friedman > FWO > KAS. A notable <em>E</em> decrease occurred at 0.8 conversion for 54–76 μm particles, while 150–200 μm particles declined gradually from 220 kJ·mol<sup>-1</sup> after 0.4 conversion.</div></div>","PeriodicalId":326,"journal":{"name":"Fuel Processing Technology","volume":"280 ","pages":"Article 108376"},"PeriodicalIF":7.7,"publicationDate":"2025-12-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145681078","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}
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.
{"title":"Effects of flame arrester on H2-Air detonation under different initial pressure propagation in the T-shaped pipeline","authors":"Lianzhuo Zhang, Xiaoyang Liu, Xingqing Yan, Jianliang Yu","doi":"10.1016/j.fuproc.2025.108375","DOIUrl":"10.1016/j.fuproc.2025.108375","url":null,"abstract":"<div><div>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 (<em>L</em>/<em>h</em>) of flame-arresting elements increased from 60 to 600. The results show that detonation under initial pressure below 70 kPa will quench in <em>L</em>/<em>h</em> > 120, but re-detonation happens in <em>L</em>/<em>h</em> < 120. The detonation attenuation is enhanced with <em>L</em>/<em>h</em> increases and initial pressure decreases; the attenuation intensity increases sharply when 180 < <em>L/h</em> < 300 and decreases when <em>L</em>/<em>h</em> > 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 <em>L/h</em> increases, the flame attenuation when passing the T-junction intensifies when <em>L/h</em> < 120 and diminishes when <em>L/h</em> > 180, and the flame accelerates when <em>L/h</em> is 60. The flame arrester's outlet velocity becomes the most significant factor determining the flame attenuation in the T-junction.</div></div>","PeriodicalId":326,"journal":{"name":"Fuel Processing Technology","volume":"280 ","pages":"Article 108375"},"PeriodicalIF":7.7,"publicationDate":"2025-12-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145681079","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}
Pub Date : 2025-12-05Epub Date: 2025-11-19DOI: 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。
{"title":"Regenerative HMFI@Zeolite fixed-bed column for the treatment of petroleum-produced water: An examination of operational conditions and quantum chemical interaction mechanisms","authors":"Lorenzo da Silva Migliorin , Suliman Yousef Alomar , Yasmin Vieira , Glaydson Simões dos Reis , Sergio Luiz Jahn , Edson Luiz Foletto , Guilherme Luiz Dotto","doi":"10.1016/j.fuproc.2025.108365","DOIUrl":"10.1016/j.fuproc.2025.108365","url":null,"abstract":"<div><div>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<sup>−1</sup> under 35 mg L<sup>−1</sup> and 10 mL min<sup>−1</sup>. 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<sup>−</sup> 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.</div></div>","PeriodicalId":326,"journal":{"name":"Fuel Processing Technology","volume":"280 ","pages":"Article 108365"},"PeriodicalIF":7.7,"publicationDate":"2025-12-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145570564","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}
Pub Date : 2025-12-05Epub Date: 2025-11-16DOI: 10.1016/j.fuproc.2025.108362
Pietropaolo Morrone , Giuseppe Basile , Diego Perrone , Alessia Anoja , Luigi Falbo , Angelo Algieri , Giuseppe Prenesti , Alessio Caravella
This study presents an energy and techno-economic analysis of a biomass-fired cogeneration system consisting of a 38 kWe internal combustion engine and a biomass gasifier. A numerical model is developed to characterize the gasifier-engine system. Detailed thermodynamic sub-models for the biomass gasification reactor and for the internal combustion engine are implemented. After validation, a comprehensive analysis of the CHP (Combined Heat and Power) performance parameters is carried out under various operating conditions. The optimal configurations are identified in terms of gasifier equivalent ratio, optimal engine spark ignition advance, overall energy performance, and Primary Energy Saving index. The techno-economic analysis includes three scenarios: the baseline, in which the costs are actualized on 2019, and additional two cases with +25 % and + 50 % of energy cost increases to account for the current world geopolitical situation and analyze the sensitivity of the obtained results to cost variation. Furthermore, two functioning strategies are considered: the ON strategy, in which the system operates continuously at nominal conditions, and the ON-OFF one, in which the system is switched off during low-demand periods. The former is found to be less economically convenient, whereas the latter is proven to be economically viable. The selected optimal configuration achieved a 22.33 % Primary Energy Saving index. Furthermore, the electric and thermal efficiency are 23 % and 63 %, respectively, reaching 86 % total efficiency. Finally, the discounted payback period ranges from 4.7 to 5.9 years across the three scenarios, maintaining economic viability despite rising energy costs. Overall, our investigation provides an efficient and greener solution to exploit energy production systems based on internal combustion, contributing to a more sustainable energy transition to carbon-free technologies.
{"title":"Techno-economic analysis of cogeneration systems based on internal-combustion engines fueled with syngas from biomass gasification","authors":"Pietropaolo Morrone , Giuseppe Basile , Diego Perrone , Alessia Anoja , Luigi Falbo , Angelo Algieri , Giuseppe Prenesti , Alessio Caravella","doi":"10.1016/j.fuproc.2025.108362","DOIUrl":"10.1016/j.fuproc.2025.108362","url":null,"abstract":"<div><div>This study presents an energy and techno-economic analysis of a biomass-fired cogeneration system consisting of a 38 kWe internal combustion engine and a biomass gasifier. A numerical model is developed to characterize the gasifier-engine system. Detailed thermodynamic sub-models for the biomass gasification reactor and for the internal combustion engine are implemented. After validation, a comprehensive analysis of the CHP (Combined Heat and Power) performance parameters is carried out under various operating conditions. The optimal configurations are identified in terms of gasifier equivalent ratio, optimal engine spark ignition advance, overall energy performance, and Primary Energy Saving index. The techno-economic analysis includes three scenarios: the baseline, in which the costs are actualized on 2019, and additional two cases with +25 % and + 50 % of energy cost increases to account for the current world geopolitical situation and analyze the sensitivity of the obtained results to cost variation. Furthermore, two functioning strategies are considered: the ON strategy, in which the system operates continuously at nominal conditions, and the ON-OFF one, in which the system is switched off during low-demand periods. The former is found to be less economically convenient, whereas the latter is proven to be economically viable. The selected optimal configuration achieved a 22.33 % Primary Energy Saving index. Furthermore, the electric and thermal efficiency are 23 % and 63 %, respectively, reaching 86 % total efficiency. Finally, the discounted payback period ranges from 4.7 to 5.9 years across the three scenarios, maintaining economic viability despite rising energy costs. Overall, our investigation provides an efficient and greener solution to exploit energy production systems based on internal combustion, contributing to a more sustainable energy transition to carbon-free technologies.</div></div>","PeriodicalId":326,"journal":{"name":"Fuel Processing Technology","volume":"280 ","pages":"Article 108362"},"PeriodicalIF":7.7,"publicationDate":"2025-12-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145570566","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}
This study investigates the catalytic mechanisms and performance of CexFeyO catalysts in the CO2 gasification of straw char. A series of CexFeyO 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 Ce0.7Fe0.3 catalyst showing the highest reactivity (c(CO)/c(CO2) = 0.53). In contrast, in the Fe-rich range, Ce0.2Fe0.8 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 (Ce0.8Fe0.2-16Re) 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 CexFeyO 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}
Pub Date : 2025-12-01Epub Date: 2025-10-21DOI: 10.1016/j.fuproc.2025.108349
Bin Wang , Kai Luo , Xiangming Chen , Kai Deng , Jian Long , Wenze Guo
The fluid catalytic cracking process utilizing the dual-riser reactors (MIP-LTAG) holds significant importance in the development of petrochemical enterprises. It aims to reduce fuel consumption while increasing output. Consequently, modeling for the production process is an essential task. However, traditional methods struggle to accurately describe the complex reaction mechanisms involved in the cracking/pyrolysis dual reaction pathways. Additionally, due to the coupling of variables and insufficiency of dynamic characteristics, capturing multi-variable spatio-temporal dependencies remains challenging. This paper focuses on key indicators such as product yield and carbon emissions within the core reaction-regeneration unit of the target technological process. A lumped kinetic mechanism model is constructed to balance the reaction pathway. Variational mode decomposition (VMD) is employed to perform decomposition of the coupled variables. The unsupervised dual-stage attentional long short term memory model (UDA-LSTM) is utilized to capture multi-scale characteristics. To leverage these advantages, this paper designs three hybrid model for collaborative optimization of multi-objective predictions. Finally, the effectiveness of the proposed hybrid modeling framework is validated through an actual industrial production case. The predicted mean squared error (MSE) of the main product yield does not exceed 0.2, and the constructed process model supports real-time monitoring of the production process by refineries.
{"title":"Multi-strategy modeling integrating kinetics mechanism of cracking and pyrolysis and unsupervised dual-stage attention long and short-term memory network","authors":"Bin Wang , Kai Luo , Xiangming Chen , Kai Deng , Jian Long , Wenze Guo","doi":"10.1016/j.fuproc.2025.108349","DOIUrl":"10.1016/j.fuproc.2025.108349","url":null,"abstract":"<div><div>The fluid catalytic cracking process utilizing the dual-riser reactors (MIP-LTAG) holds significant importance in the development of petrochemical enterprises. It aims to reduce fuel consumption while increasing output. Consequently, modeling for the production process is an essential task. However, traditional methods struggle to accurately describe the complex reaction mechanisms involved in the cracking/pyrolysis dual reaction pathways. Additionally, due to the coupling of variables and insufficiency of dynamic characteristics, capturing multi-variable spatio-temporal dependencies remains challenging. This paper focuses on key indicators such as product yield and carbon emissions within the core reaction-regeneration unit of the target technological process. A lumped kinetic mechanism model is constructed to balance the reaction pathway. Variational mode decomposition (VMD) is employed to perform decomposition of the coupled variables. The unsupervised dual-stage attentional long short term memory model (UDA-LSTM) is utilized to capture multi-scale characteristics. To leverage these advantages, this paper designs three hybrid model for collaborative optimization of multi-objective predictions. Finally, the effectiveness of the proposed hybrid modeling framework is validated through an actual industrial production case. The predicted mean squared error (MSE) of the main product yield does not exceed 0.2, and the constructed process model supports real-time monitoring of the production process by refineries.</div></div>","PeriodicalId":326,"journal":{"name":"Fuel Processing Technology","volume":"279 ","pages":"Article 108349"},"PeriodicalIF":7.7,"publicationDate":"2025-12-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145334569","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}
Pub Date : 2025-12-01Epub Date: 2025-11-11DOI: 10.1016/j.fuproc.2025.108361
Tawfiq Al Wasif-Ruiz , Paloma Álvarez-Mateos , José Alberto Sánchez-Martín , María Guirado , Carmen Cecilia Barrios-Sánchez
{"title":"Corrigendum to ‘Influence of fuel formulation on exhaust emissions from gasoline direct injection vehicle’ [Fuel Processing Technology, Volume 272, July 2025, 108215]","authors":"Tawfiq Al Wasif-Ruiz , Paloma Álvarez-Mateos , José Alberto Sánchez-Martín , María Guirado , Carmen Cecilia Barrios-Sánchez","doi":"10.1016/j.fuproc.2025.108361","DOIUrl":"10.1016/j.fuproc.2025.108361","url":null,"abstract":"","PeriodicalId":326,"journal":{"name":"Fuel Processing Technology","volume":"279 ","pages":"Article 108361"},"PeriodicalIF":7.7,"publicationDate":"2025-12-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145576565","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}
Pub Date : 2025-12-01Epub Date: 2025-10-28DOI: 10.1016/j.fuproc.2025.108355
Biao Hu, Zhengjie Qiao, Kai Han, Shugang Li, Haifei Lin, Liang Cheng, Zeyu Ren, Rongwei Luo
CH₄ diffusion kinetics in coal are critical for coal mine gas disaster control. Conventional qualitative analyses of coal gas diffusion, based on unit-mass pore parameters, neglect its fundamental origin within individual particles. In this study, a medium-volatile bituminous coal sample was gradually crushed by a jaw crusher and screened with a sample sieve into six particle size ranges: 0.3–0.5, 0.2–0.3, 0.125–0.2, 0.074–0.125, 0.045–0.075, and < 0.045 mm. The coal particle was modeled as homogeneous spheres and quantitatively characterized the full-scale pore structure (micropores: <2 nm, mesopores: 2–50 nm, macropores: 50–300 nm) using low-pressure N₂ (77 K) and CO₂ (273 K) adsorption. By integrating particle density and median size (D50), unit-mass pore parameters were converted into single-particle parameters. Results show that as the particle size decreased from 0.3 to 0.5 mm to <0.045 mm, the total pore volume within a single particle decreased exponentially by nearly four orders of magnitude. In addition, the initial CH4 desorption rate (V0–1) increased rapidly (5.5 times) as the particle size decreased, while the initial CH4 diffusion coefficient (D0) decreased linearly from 1.47 × 10−13 m2/s to 4.29 × 10−15 m2/s (34.3 times). The attenuation coefficient (β) increased exponentially from 8.97 × 10−5 to 1.401 × 10−3 s−1 (15.6 times). Analysis from the single-particle perspective reveals that smaller coal particles have simpler pores, accelerating initial CH₄ desorption but hastening decay. This contradicts unit-mass perspective suggesting finer coal has richer porosity, indicating that mass-averaging in traditional methods obscures the true impact of particle size on diffusion kinetics.
{"title":"An experimental study on pore complexity in single-particle coal and its impact on CH₄ diffusion kinetics","authors":"Biao Hu, Zhengjie Qiao, Kai Han, Shugang Li, Haifei Lin, Liang Cheng, Zeyu Ren, Rongwei Luo","doi":"10.1016/j.fuproc.2025.108355","DOIUrl":"10.1016/j.fuproc.2025.108355","url":null,"abstract":"<div><div>CH₄ diffusion kinetics in coal are critical for coal mine gas disaster control. Conventional qualitative analyses of coal gas diffusion, based on unit-mass pore parameters, neglect its fundamental origin within individual particles. In this study, a medium-volatile bituminous coal sample was gradually crushed by a jaw crusher and screened with a sample sieve into six particle size ranges: 0.3–0.5, 0.2–0.3, 0.125–0.2, 0.074–0.125, 0.045–0.075, and < 0.045 mm. The coal particle was modeled as homogeneous spheres and quantitatively characterized the full-scale pore structure (micropores: <2 nm, mesopores: 2–50 nm, macropores: 50–300 nm) using low-pressure N₂ (77 K) and CO₂ (273 K) adsorption. By integrating particle density and median size (<em>D</em>50), unit-mass pore parameters were converted into single-particle parameters. Results show that as the particle size decreased from 0.3 to 0.5 mm to <0.045 mm, the total pore volume within a single particle decreased exponentially by nearly four orders of magnitude. In addition, the initial CH<sub>4</sub> desorption rate (<em>V</em><sub>0</sub><sub>–</sub><sub>1</sub>) increased rapidly (5.5 times) as the particle size decreased, while the initial CH<sub>4</sub> diffusion coefficient (<em>D</em><sub>0</sub>) decreased linearly from 1.47 × 10<sup>−13</sup> m<sup>2</sup>/s to 4.29 × 10<sup>−15</sup> m<sup>2</sup>/s (34.3 times). The attenuation coefficient (<em>β</em>) increased exponentially from 8.97 × 10<sup>−5</sup> to 1.401 × 10<sup>−3</sup> s<sup>−1</sup> (15.6 times). Analysis from the single-particle perspective reveals that smaller coal particles have simpler pores, accelerating initial CH₄ desorption but hastening decay. This contradicts unit-mass perspective suggesting finer coal has richer porosity, indicating that mass-averaging in traditional methods obscures the true impact of particle size on diffusion kinetics.</div></div>","PeriodicalId":326,"journal":{"name":"Fuel Processing Technology","volume":"279 ","pages":"Article 108355"},"PeriodicalIF":7.7,"publicationDate":"2025-12-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145425292","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}
Steelmaking is essential to modern society but remains a major CO₂ emitter. To mitigate this, technologies like hydrogen-based steelmaking and alternative reducing agents are being explored. Injecting coke oven gas (COG) into blast furnaces offers a promising way to reduce CO₂ emissions and affects combustion behavior in the raceway. However, the impact of simultaneous COG and pulverized coal injection remains unclear due to complex in-furnace phenomena. This study develops a three-dimensional numerical model using the Eulerian-Lagrangian approach to simulate reacting two-phase flow in the raceway under varying COG injection rates. The model is validated against data from a tuyere combustion simulator, confirming its accuracy in capturing combustion and gasification of pulverized coal and coke. Simulations show that COG injection affects gas concentration, reaction zones, and temperature profiles. While COG promotes overall reaction rates, it alters oxygen distribution, influencing coal burnout. The study also reveals that the frequency of coal-coke collisions impacts coke consumption and coal's carbon conversion rate. Furthermore, it clarifies how COG modifies the proportions of gases reacting with coal and coke, offering insights for optimizing combustion in blast furnaces.
{"title":"Numerical analysis-based evaluation of combustion and gasification characteristics of pulverized coal and coke in the raceway region","authors":"Hiroki Umetsu , Kenji Tanno , Toshiaki Fukada , Satoshi Umemoto , Kazuki Tainaka , Atsushi Ikeda , Kota Moriya , Akinori Murao , Hiroaki Watanabe","doi":"10.1016/j.fuproc.2025.108360","DOIUrl":"10.1016/j.fuproc.2025.108360","url":null,"abstract":"<div><div>Steelmaking is essential to modern society but remains a major CO₂ emitter. To mitigate this, technologies like hydrogen-based steelmaking and alternative reducing agents are being explored. Injecting coke oven gas (COG) into blast furnaces offers a promising way to reduce CO₂ emissions and affects combustion behavior in the raceway. However, the impact of simultaneous COG and pulverized coal injection remains unclear due to complex in-furnace phenomena. This study develops a three-dimensional numerical model using the Eulerian-Lagrangian approach to simulate reacting two-phase flow in the raceway under varying COG injection rates. The model is validated against data from a tuyere combustion simulator, confirming its accuracy in capturing combustion and gasification of pulverized coal and coke. Simulations show that COG injection affects gas concentration, reaction zones, and temperature profiles. While COG promotes overall reaction rates, it alters oxygen distribution, influencing coal burnout. The study also reveals that the frequency of coal-coke collisions impacts coke consumption and coal's carbon conversion rate. Furthermore, it clarifies how COG modifies the proportions of gases reacting with coal and coke, offering insights for optimizing combustion in blast furnaces.</div></div>","PeriodicalId":326,"journal":{"name":"Fuel Processing Technology","volume":"279 ","pages":"Article 108360"},"PeriodicalIF":7.7,"publicationDate":"2025-12-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145526015","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}
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