Pub Date : 2025-12-06DOI: 10.1016/j.fuel.2025.137810
Cristian Barón, Manuel Bailera, Jorge Perpiñán, Begoña Peña
The Iron and Steel industry stands as a significant industrial source of CO2 emissions, contributing 7% to the global CO2 emissions. Therefore, innovative methods for CO2 removal must be developed in the current path to heavy-industry decarbonization. This work presents and compares two low-carbon brownfield concepts, integrated in an existing steelmaking plant, which incorporates power-to-gas technology, top gas recycling and oxygen blast furnace. The first concept captures carbon via calcium looping and uses it as the source for the methanation plant to produce synthetic natural gas, which is injected in the blast furnace as reducing agent. The second concept is based on charcoal and syngas production through biomass pyrolysis. The former is pulverized and injected into the blast furnace, replacing part of the fossil coke used in the reference steelmaking plant. The latter is used as carbon source in the methanation stage, avoiding the carbon capture stage. Promising results are obtained for the concept which uses biomass as carbon source in the process, achieving a CO2 abatement cost of 64.5 €/tCO2. It is estimated that this cost could be reduced to 55.4 €/tCO2 by scale economy. Despite current economic challenges, the potential mid-term profitability, driven by the ongoing deployment of renewable energy, identifies the utilization of biomass as a solution for environmentally conscious steelmaking.
{"title":"A comparison of carbon capture and biomass utilisation for decarbonising oxygen blast furnace ironmaking","authors":"Cristian Barón, Manuel Bailera, Jorge Perpiñán, Begoña Peña","doi":"10.1016/j.fuel.2025.137810","DOIUrl":"10.1016/j.fuel.2025.137810","url":null,"abstract":"<div><div>The Iron and Steel industry stands as a significant industrial source of CO<sub>2</sub> emissions, contributing 7% to the global CO<sub>2</sub> emissions. Therefore, innovative methods for CO<sub>2</sub> removal must be developed in the current path to heavy-industry decarbonization. This work presents and compares two low-carbon brownfield concepts, integrated in an existing steelmaking plant, which incorporates power-to-gas technology, top gas recycling and oxygen blast furnace. The first concept captures carbon via calcium looping and uses it as the source for the methanation plant to produce synthetic natural gas, which is injected in the blast furnace as reducing agent. The second concept is based on charcoal and syngas production through biomass pyrolysis. The former is pulverized and injected into the blast furnace, replacing part of the fossil coke used in the reference steelmaking plant. The latter is used as carbon source in the methanation stage, avoiding the carbon capture stage. Promising results are obtained for the concept which uses biomass as carbon source in the process, achieving a CO<sub>2</sub> abatement cost of 64.5 €/t<sub>CO2</sub>. It is estimated that this cost could be reduced to 55.4 €/t<sub>CO2</sub> by scale economy. Despite current economic challenges, the potential mid-term profitability, driven by the ongoing deployment of renewable energy, identifies the utilization of biomass as a solution for environmentally conscious steelmaking.</div></div>","PeriodicalId":325,"journal":{"name":"Fuel","volume":"409 ","pages":"Article 137810"},"PeriodicalIF":7.5,"publicationDate":"2025-12-06","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145692285","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"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 : 2025-12-06DOI: 10.1016/j.fuel.2025.137843
Min-Jong Ku , Min-Woo Kim , Yoon-Jae Lee , Gyeong-Min Kim , Dae-Gyun Lee , Seung-Mo Kim , Fumiteru Akamatsu , Chung Hwan Jeon
Co-firing ammonia with coal is a promising strategy for reducing greenhouse gas emissions in coal-fired power plants. To move toward carbon-free power generation, understanding ammonia/coal co-firing under high ammonia conditions is essential. This study investigates the effects of coal fuel ratio and oxygen concentration on flame characteristics and gas emissions during high ratio ammonia/coal co-firing. Thermogravimetric analysis (TGA) was performed to evaluate the thermal reactivity of two coals with different volatile matter contents. Co-firing experiments were conducted in a visualized burner under oxygen concentrations of 30–40% and ammonia co-firing ratios of 50 % and 80 %. Flame structures and CH* distributions were captured using a high-speed camera, and gas species (NH3, NOx, N2O, **CO, CO2) were measured using an FT-IR analyzer. Results showed that both coals became highly reactive above 35% oxygen concentration. The high volatile coal exhibited higher flame luminosity and a synergistic interaction between its volatile components and ammonia oxidation, particularly at a 50% co-firing ratio. In contrast, the low volatile coal produced more NH3 slip under the same condition. Additionally, for the high-volatile coal, increased devolatilization at 40% oxygen enhanced NOx reduction via CxHγ radical-induced DeNOx reactions. These findings highlight the critical role of coal properties and oxygen availability in optimizing ammonia/coal co-firing performance under high-ammonia conditions.
{"title":"Carbon-free fuel transition via ammonia-coal co-firing: investigation of flame and combustion characteristics","authors":"Min-Jong Ku , Min-Woo Kim , Yoon-Jae Lee , Gyeong-Min Kim , Dae-Gyun Lee , Seung-Mo Kim , Fumiteru Akamatsu , Chung Hwan Jeon","doi":"10.1016/j.fuel.2025.137843","DOIUrl":"10.1016/j.fuel.2025.137843","url":null,"abstract":"<div><div>Co-firing ammonia with coal is a promising strategy for reducing greenhouse gas emissions in coal-fired power plants. To move toward carbon-free power generation, understanding ammonia/coal co-firing under high ammonia conditions is essential. This study investigates the effects of coal fuel ratio and oxygen concentration on flame characteristics and gas emissions during high ratio ammonia/coal co-firing. Thermogravimetric analysis (TGA) was performed to evaluate the thermal reactivity of two coals with different volatile matter contents. Co-firing experiments were conducted in a visualized burner under oxygen concentrations of 30–40% and ammonia co-firing ratios of 50 % and 80 %. Flame structures and CH* distributions were captured using a high-speed camera, and gas species (NH<sub>3</sub>, NO<sub>x</sub>, N<sub>2</sub>O, **CO, CO<sub>2</sub>) were measured using an FT-IR analyzer. Results showed that both coals became highly reactive above 35% oxygen concentration. The high volatile coal exhibited higher flame luminosity and a synergistic interaction between its volatile components and ammonia oxidation, particularly at a 50% co-firing ratio. In contrast, the low volatile coal produced more NH<sub>3</sub> slip under the same condition. Additionally, for the high-volatile coal, increased devolatilization at 40% oxygen enhanced NO<sub>x</sub> reduction via C<sub>x</sub>H<sub>γ</sub> radical-induced DeNO<sub>x</sub> reactions. These findings highlight the critical role of coal properties and oxygen availability in optimizing ammonia/coal co-firing performance under high-ammonia conditions.</div></div>","PeriodicalId":325,"journal":{"name":"Fuel","volume":"409 ","pages":"Article 137843"},"PeriodicalIF":7.5,"publicationDate":"2025-12-06","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145692337","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"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 : 2025-12-06DOI: 10.1016/j.fuel.2025.137929
Feng Chen , Jun Yin , Yanwei Qu , Lulu Ma , Peiwen Jiang , Zhilin Cao , ChengtaoYang , Mi Tian , Bing Li , Zhimin Song
The permeability of coal seams directly determine the efficiency of gas drainage. This research, choosing Inner Mongolia lignite (NMH) and Shaanxi bituminous coal (SXY) as the subjects, innovatively combines shock wave and acidification treatments to investigate pore-fracture evolution and fractal characteristics in low-permeability coal seams via various characterization techniques and fractal theories. Research has shown that NMH contained calcite, pyrite, silicate, and siderite, while SXY contained quartz and gismondine. Shock wave alone didn’t alter the types and contents of minerals, but coupled with acidification, it could completely dissolve the minerals into the multi-component acid solutions. After the coupling effect, coal samples became looser, with increased crack width, length, and clarity, and higher fractal dimensions and porosity of the SEM images, indicating a rise in pore-fracture proportion. The N2 adsorption experiments revealed that the coupling effect destroyed ink-bottle-shaped pores, transforming micropores into transition pores and enhancing pore connectivity, while reducing fractal dimensions (D1 and D2) and surface roughness, despite decreasing specific surface area and pore volume. The low-field nuclear magnetic resonance tests showed that the coupling effect effectively reduced the proportion of adsorption pore throats, increased the proportion of seepage pore throats, promoted the transformation of micropores to transition pores, then into mesopores and macropores, enhanced pore connectivity, reduced the seepage pore fractal dimension (DS). This study demonstrated that shock wave-acidification coupling achieved the dual objectives of reducing methane adsorption and enhancing seepage capacity, which were realized by increasing the contact area for acidification and dissolving minerals within the coal matrix.
{"title":"The pore and fracture structure evolution and fractal characteristics of coal under the coupling effect of shock wave and acidification","authors":"Feng Chen , Jun Yin , Yanwei Qu , Lulu Ma , Peiwen Jiang , Zhilin Cao , ChengtaoYang , Mi Tian , Bing Li , Zhimin Song","doi":"10.1016/j.fuel.2025.137929","DOIUrl":"10.1016/j.fuel.2025.137929","url":null,"abstract":"<div><div>The permeability of coal seams directly determine the efficiency of gas drainage. This research, choosing Inner Mongolia lignite (NMH) and Shaanxi bituminous coal (SXY) as the subjects, innovatively combines shock wave and acidification treatments to investigate pore-fracture evolution and fractal characteristics in low-permeability coal seams via various characterization techniques and fractal theories. Research has shown that NMH contained calcite, pyrite, silicate, and siderite, while SXY contained quartz and gismondine. Shock wave alone didn’t alter the types and contents of minerals, but coupled with acidification, it could completely dissolve the minerals into the multi-component acid solutions. After the coupling effect, coal samples became looser, with increased crack width, length, and clarity, and higher fractal dimensions and porosity of the SEM images, indicating a rise in pore-fracture proportion. The N<sub>2</sub> adsorption experiments revealed that the coupling effect destroyed ink-bottle-shaped pores, transforming micropores into transition pores and enhancing pore connectivity, while reducing fractal dimensions (D<sub>1</sub> and D<sub>2</sub>) and surface roughness, despite decreasing specific surface area and pore volume. The low-field nuclear magnetic resonance tests showed that the coupling effect effectively reduced the proportion of adsorption pore throats, increased the proportion of seepage pore throats, promoted the transformation of micropores to transition pores, then into mesopores and macropores, enhanced pore connectivity, reduced the seepage pore fractal dimension (D<sub>S</sub>). This study demonstrated that shock wave-acidification coupling achieved the dual objectives of reducing methane adsorption and enhancing seepage capacity, which were realized by increasing the contact area for acidification and dissolving minerals within the coal matrix.</div></div>","PeriodicalId":325,"journal":{"name":"Fuel","volume":"409 ","pages":"Article 137929"},"PeriodicalIF":7.5,"publicationDate":"2025-12-06","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145691978","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"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 : 2025-12-06DOI: 10.1016/j.fuel.2025.137916
Zheng Liu , Luyang Qiao , Shanshan Zong , Jiankai Cheng , Xinyi Cao , Yong Gao , Zhangfeng Zhou , Yuangen Yao
Dry reforming of methane (DRM) offers a promising pathway for converting CO2 and CH4 into valuable syngas. However, rapid deactivation of Ni-based catalysts due to coking and sintering under high temperatures poses a significant challenge for its practical application. Benefiting from Ni phyllosilicate derived strong metal-support interaction (SMSI), the reduction and growth rates of Ni nanoparticles are slowed down. However, the number of exposed Ni active sites is lean due to excessively strong Ni-O interaction in Ni phyllosilicate. Here, we doped Zr into Ni/SiO2 catalyst to modulate the Ni phyllosilicate structure and related SMSI to improve the resistance of Ni/SiO2 catalyst against sintering and coking. The balance between carbon deposition and elimination was established benefiting from activated lattice oxygen in phyllosilicate and corresponding electronic perturbations across Ni/SiO2 interface. This strategy not only achieves increased conversions of CH4 and CO2, but also realizes stable operation of catalyst at 800 °C. Relevant insights for developing high-performance and robust DRM catalysts are provided.
{"title":"Reconstructing active sites of Ni/SiO2 for dry reforming methane via modulating Ni phyllosilicate structure","authors":"Zheng Liu , Luyang Qiao , Shanshan Zong , Jiankai Cheng , Xinyi Cao , Yong Gao , Zhangfeng Zhou , Yuangen Yao","doi":"10.1016/j.fuel.2025.137916","DOIUrl":"10.1016/j.fuel.2025.137916","url":null,"abstract":"<div><div>Dry reforming of methane (DRM) offers a promising pathway for converting CO<sub>2</sub> and CH<sub>4</sub> into valuable syngas. However, rapid deactivation of Ni-based catalysts due to coking and sintering under high temperatures poses a significant challenge for its practical application. Benefiting from Ni phyllosilicate derived strong metal-support interaction (SMSI), the reduction and growth rates of Ni nanoparticles are slowed down. However, the number of exposed Ni active sites is lean due to excessively strong Ni-O interaction in Ni phyllosilicate. Here, we doped Zr into Ni/SiO<sub>2</sub> catalyst to modulate the Ni phyllosilicate structure and related SMSI to improve the resistance of Ni/SiO<sub>2</sub> catalyst against sintering and coking. The balance between carbon deposition and elimination was established benefiting from activated lattice oxygen in phyllosilicate and corresponding electronic perturbations across Ni/SiO<sub>2</sub> interface. This strategy not only achieves increased conversions of CH<sub>4</sub> and CO<sub>2</sub>, but also realizes stable operation of catalyst at 800 °C. Relevant insights for developing high-performance and robust DRM catalysts are provided.</div></div>","PeriodicalId":325,"journal":{"name":"Fuel","volume":"409 ","pages":"Article 137916"},"PeriodicalIF":7.5,"publicationDate":"2025-12-06","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145692030","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"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 : 2025-12-06DOI: 10.1016/j.fuel.2025.137837
Mengling Zhang , Baokun Li , Hairui Yang , Man Zhang , Dongfang Li , Xing Zhu , Runsheng Lin , Yongkang Han , Aoyang Zhang
The cement industry contributes 13% of China’s carbon emissions, making it a pivotal sector in achieving the country’s carbon neutrality objective. In this study, the Yunnan’s cement industry, which accounts for 18% of the province’s carbon emissions, is comprehensively analyzed and proposes a pathway toward carbon neutrality. Based on the microdata from 82 cement enterprises, the current carbon emissions are assessed in Yunnan’s cement industry. Subsequently, the Stochastic Impacts by Regression on Population, Affluence, and Technology model is employed to forecast cement output. Four scenarios are developed to assess the impacts of six measures for reduction of carbon emissions to propose a pathway toward carbon neutrality. The results indicate that the output and carbon emissions of Yunnan’s cement industry peaked in 2020, at 129.84 Mt and 82.46 MtCO2/year, followed by a continuous decline. The model forecasts that cement output will continue to decline and stabilize at 35.68 Mt by 2060. Among, the business-as-usual scenario exhibits the highest emissions, projected to emit 23.27 MtCO2/year by 2060; whereas the aggressive green scenario demonstrates the most effective emission reduction, anticipated to achieve net-zero emissions by 2050. Finally, a pathway toward carbon neutrality for Yunnan’s cement industry is proposed. By 2026, the contributions to carbon emission reduction of energy efficiency improvement, renewable electricity generation from waste heat recovery, alternative fuel, alternative raw materials, carbon capture, utilization, and storage, and cement carbonization are projected to be 10.51%, 2.38%, 12.42%, 24.63%, 34.69%, and 15.37%, respectively. This study offers valuable policy recommendations for regional carbon-reduction strategies.
水泥行业占中国碳排放量的13%,是实现中国碳中和目标的关键行业。本研究对占全省碳排放量18%的云南水泥行业进行了综合分析,并提出了碳中和的路径。基于82家水泥企业的微观数据,对云南水泥行业的碳排放现状进行了评估。随后,采用人口、富裕和技术随机影响回归模型对水泥产量进行预测。本文提出了四种情景,以评估六种减少碳排放的措施的影响,从而提出一条实现碳中和的途径。结果表明,云南水泥工业产量和碳排放量在2020年达到峰值,分别为12984 Mt和8246 Mt co2 /年,随后呈持续下降趋势。该模型预测,到2060年,水泥产量将继续下降,并稳定在3568万吨。其中,一切照旧情景的排放量最高,预计到2060年将排放2327万吨二氧化碳/年;而积极的绿色方案展示了最有效的减排,预计到2050年实现净零排放。最后,提出了云南水泥工业实现碳中和的途径。到2026年,能源效率提高、余热回收可再生发电、替代燃料、替代原材料、碳捕集利用与封存和水泥碳化对碳减排的贡献分别为10.51%、2.38%、12.42%、24.63%、34.69%和15.37%。本研究为区域碳减排战略提供了有价值的政策建议。
{"title":"Pathway toward carbon neutrality of cement industry: A comprehensive analysis based on microdata","authors":"Mengling Zhang , Baokun Li , Hairui Yang , Man Zhang , Dongfang Li , Xing Zhu , Runsheng Lin , Yongkang Han , Aoyang Zhang","doi":"10.1016/j.fuel.2025.137837","DOIUrl":"10.1016/j.fuel.2025.137837","url":null,"abstract":"<div><div>The cement industry contributes 13% of China’s carbon emissions, making it a pivotal sector in achieving the country’s carbon neutrality objective. In this study, the Yunnan’s cement industry, which accounts for 18% of the province’s carbon emissions, is comprehensively analyzed and proposes a pathway toward carbon neutrality. Based on the microdata from 82 cement enterprises, the current carbon emissions are assessed in Yunnan’s cement industry. Subsequently, the Stochastic Impacts by Regression on Population, Affluence, and Technology model is employed to forecast cement output. Four scenarios are developed to assess the impacts of six measures for reduction of carbon emissions to propose a pathway toward carbon neutrality. The results indicate that the output and carbon emissions of Yunnan’s cement industry peaked in 2020, at 129.84 Mt and 82.46 MtCO<sub>2</sub>/year, followed by a continuous decline. The model forecasts that cement output will continue to decline and stabilize at 35.68 Mt by 2060. Among, the business-as-usual scenario exhibits the highest emissions, projected to emit 23.27 MtCO<sub>2</sub>/year by 2060; whereas the aggressive green scenario demonstrates the most effective emission reduction, anticipated to achieve net-zero emissions by 2050. Finally, a pathway toward carbon neutrality for Yunnan’s cement industry is proposed. By 2026, the contributions to carbon emission reduction of energy efficiency improvement, renewable electricity generation from waste heat recovery, alternative fuel, alternative raw materials, carbon capture, utilization, and storage, and cement carbonization are projected to be 10.51%, 2.38%, 12.42%, 24.63%, 34.69%, and 15.37%, respectively. This study offers valuable policy recommendations for regional carbon-reduction strategies.</div></div>","PeriodicalId":325,"journal":{"name":"Fuel","volume":"409 ","pages":"Article 137837"},"PeriodicalIF":7.5,"publicationDate":"2025-12-06","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145692216","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"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 : 2025-12-05DOI: 10.1016/j.fuel.2025.137886
Mengmeng Jia , Jiaxin Xie , Frederick Nii Ofei Bruce , Fei Qin , Yiwen Hu , Chong-Wen Zhou , Henry Curran , Taufiq Yap Yun Hin , Song Cheng , Yang Li
Ammonia borane (NH3BH3) is a promising high-energy solid fuel candidate for ramjet propulsion systems. However, the detailed chemical kinetic mechanisms remain insufficiently understood. In this study, the ignition delay times (IDTs) of NH3BH3/air mixtures were experimentally investigated using a high-pressure shock tube under conditions of 5.0 and 10.0 bar over 1000 to 2300 K. A comprehensive kinetic mechanism comprising 58 species and 292 reactions was developed to describe the combustion of ammonia borane. Ab initio calculations were conducted to study hydrogen abstraction, unimolecular, and chemically activated reactions on the potential energy surfaces of NBH6 and NBH5. Geometry optimizations, vibrational frequency calculations, and dihedral angle scans were performed at the M06-2X/6-311++G(d,p) level of theory. Single-point energies (SPEs) for all species were determined using the CCSD/CBS method. The kinetic and thermochemical parameters obtained from high-level calculations were incorporated into the C3MechV3.3 framework to construct a revised mechanism. The reliability of the developed mechanism was evaluated through IDT simulations, and sensitivity and flux analyses were performed to identify the key reactions controlling the reactivity. The results indicate that the phase transition reaction NH3BH3(s) → NH3BH3 and the unimolecular decomposition reaction NH3BH3 → NH3 + BH3 play dominant roles during ammonia borane combustion.
{"title":"An experimental, theoretical and kinetic modeling study of ammonia borane combustion","authors":"Mengmeng Jia , Jiaxin Xie , Frederick Nii Ofei Bruce , Fei Qin , Yiwen Hu , Chong-Wen Zhou , Henry Curran , Taufiq Yap Yun Hin , Song Cheng , Yang Li","doi":"10.1016/j.fuel.2025.137886","DOIUrl":"10.1016/j.fuel.2025.137886","url":null,"abstract":"<div><div>Ammonia borane (NH<sub>3</sub>BH<sub>3</sub>) is a promising high-energy solid fuel candidate for ramjet propulsion systems. However, the detailed chemical kinetic mechanisms remain insufficiently understood. In this study, the ignition delay times (IDTs) of NH<sub>3</sub>BH<sub>3</sub>/air mixtures were experimentally investigated using a high-pressure shock tube under conditions of 5.0 and 10.0 bar over 1000 to 2300 K. A comprehensive kinetic mechanism comprising 58 species and 292 reactions was developed to describe the combustion of ammonia borane. Ab initio calculations were conducted to study hydrogen abstraction, unimolecular, and chemically activated reactions on the potential energy surfaces of NBH<sub>6</sub> and NBH<sub>5</sub>. Geometry optimizations, vibrational frequency calculations, and dihedral angle scans were performed at the M06-2X/6-311++G(d,p) level of theory. Single-point energies (SPEs) for all species were determined using the CCSD/CBS method. The kinetic and thermochemical parameters obtained from high-level calculations were incorporated into the C3MechV3.3 framework to construct a revised mechanism. The reliability of the developed mechanism was evaluated through IDT simulations, and sensitivity and flux analyses were performed to identify the key reactions controlling the reactivity. The results indicate that the phase transition reaction NH<sub>3</sub>BH<sub>3</sub>(s) → NH<sub>3</sub>BH<sub>3</sub> and the unimolecular decomposition reaction NH<sub>3</sub>BH<sub>3</sub> → NH<sub>3</sub> + BH<sub>3</sub> play dominant roles during ammonia borane combustion.</div></div>","PeriodicalId":325,"journal":{"name":"Fuel","volume":"409 ","pages":"Article 137886"},"PeriodicalIF":7.5,"publicationDate":"2025-12-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145692222","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"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 : 2025-12-05DOI: 10.1016/j.fuel.2025.137879
Conrado Chiarello , Carolyn A. Koh , Khalid Mateen
Gas hydrates are a major concern in flow assurance. Preventing operational issues warrants reliable prediction of the phenomena. Current gas hydrate kinetic models in commercially available simulators have the limitation that they can either match the initial formation rate or the final volume of hydrates formation but not the two at the same time. Often, in laboratory experiments, the water estimated to form hydrates from gas consumption is much lower than the total volume of available water, and no explanation is available for this unutilized water. In this paper, we develop a model which can simultaneously capture the early and the late time formation rates. By considering the water trapped inside gas hydrate particles, gas hydrate formation, as measured by gas consumption, is more accurately predicted in both the fast initial formation region and the final gas consumption plateau. Moreover, because hydrate volume fraction reaches a plateau faster than currently implemented models, viscosity prediction against experimental data is also improved. Currently available hydrate prediction models implemented in commercial multiphase simulators can be extended to seamlessly incorporate the developments presented herein, with minor adjustments to conservation equations.
{"title":"Advancing gas hydrate kinetic modeling and simulation in dispersed water-in-oil systems by incorporating trapped water calculation","authors":"Conrado Chiarello , Carolyn A. Koh , Khalid Mateen","doi":"10.1016/j.fuel.2025.137879","DOIUrl":"10.1016/j.fuel.2025.137879","url":null,"abstract":"<div><div>Gas hydrates are a major concern in flow assurance. Preventing operational issues warrants reliable prediction of the phenomena. Current gas hydrate kinetic models in commercially available simulators have the limitation that they can either match the initial formation rate or the final volume of hydrates formation but not the two at the same time. Often, in laboratory experiments, the water estimated to form hydrates from gas consumption is much lower than the total volume of available water, and no explanation is available for this unutilized water. In this paper, we develop a model which can simultaneously capture the early and the late time formation rates. By considering the water trapped inside gas hydrate particles, gas hydrate formation, as measured by gas consumption, is more accurately predicted in both the fast initial formation region and the final gas consumption plateau. Moreover, because hydrate volume fraction reaches a plateau faster than currently implemented models, viscosity prediction against experimental data is also improved. Currently available hydrate prediction models implemented in commercial multiphase simulators can be extended to seamlessly incorporate the developments presented herein, with minor adjustments to conservation equations.</div></div>","PeriodicalId":325,"journal":{"name":"Fuel","volume":"409 ","pages":"Article 137879"},"PeriodicalIF":7.5,"publicationDate":"2025-12-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145692282","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"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 : 2025-12-05DOI: 10.1016/j.fuel.2025.137892
Xiankun Huang , Yong Wang , Zhang Bai, Xiaoli Zhu, Lianlian Xu, Xinyu Mu, Binzhong Xi
Solar-driven biomass gasification offers a sustainable route for syngas production; however, challenges such as tar formation, low gas yields, and catalyst deactivation under high radiative flux continue to limit process efficiency. This research systematically evaluates six catalysts, iron, nickel, dolomite, zeolite ZSM-5, sodium carbonate, and calcium oxide, for gasifying fundamental biomass components (cellulose, hemicellulose, lignin) under concentrated solar irradiation. Employing dynamic gas evolution analysis, comprehensive solid-phase characterization through X-ray diffraction and tar/residue examination, and thermodynamic energy assessment, we elucidate distinct catalyst-specific and biomass-component-dependent regulatory mechanisms. Key results demonstrate calcium oxide universally enhances hydrogen yield, achieving a 4.5-fold increase for cellulose and exceeding a 10-fold increase for lignin at a catalyst-to-feedstock ratio of 0.9, while elevating total gas production to 67.0 mmol/g for cellulose, representing a 148 % increase relative to non-catalytic conditions. Transition metal catalysts, particularly iron, optimize syngas composition, attaining 50.8 % hydrogen content in hemicellulose-derived syngas. Dolomite significantly promotes carbon dioxide formation with a 4.5-fold yield increase, whereas natural mineral catalysts exhibit notable phase instability under irradiation. Calcium oxide additionally maximizes energy upgrading factors, reaching values of 1.26 for cellulose and 1.18 for hemicellulose, confirming net solar energy storage. Calcium oxide significantly mitigates lignin recalcitrance, increasing its energy upgrading factor from 0.1 to 0.47. Kinetic analyses verify significant activation energy reductions, including a 35 % decrease for cellulose using nickel catalysis. This work establishes a foundational catalyst selection framework for targeted syngas regulation and efficient solar-thermochemical conversion, advancing scalable solar fuel technologies.
{"title":"Enhancing solar-driven biomass gasification through multi-catalyst strategies: Catalytic mechanisms, product regulation, and energy conversion","authors":"Xiankun Huang , Yong Wang , Zhang Bai, Xiaoli Zhu, Lianlian Xu, Xinyu Mu, Binzhong Xi","doi":"10.1016/j.fuel.2025.137892","DOIUrl":"10.1016/j.fuel.2025.137892","url":null,"abstract":"<div><div>Solar-driven biomass gasification offers a sustainable route for syngas production; however, challenges such as tar formation, low gas yields, and catalyst deactivation under high radiative flux continue to limit process efficiency. This research systematically evaluates six catalysts, iron, nickel, dolomite, zeolite ZSM-5, sodium carbonate, and calcium oxide, for gasifying fundamental biomass components (cellulose, hemicellulose, lignin) under concentrated solar irradiation. Employing dynamic gas evolution analysis, comprehensive solid-phase characterization through X-ray diffraction and tar/residue examination, and thermodynamic energy assessment, we elucidate distinct catalyst-specific and biomass-component-dependent regulatory mechanisms. Key results demonstrate calcium oxide universally enhances hydrogen yield, achieving a 4.5-fold increase for cellulose and exceeding a 10-fold increase for lignin at a catalyst-to-feedstock ratio of 0.9, while elevating total gas production to 67.0 mmol/g for cellulose, representing a 148 % increase relative to non-catalytic conditions. Transition metal catalysts, particularly iron, optimize syngas composition, attaining 50.8 % hydrogen content in hemicellulose-derived syngas. Dolomite significantly promotes carbon dioxide formation with a 4.5-fold yield increase, whereas natural mineral catalysts exhibit notable phase instability under irradiation. Calcium oxide additionally maximizes energy upgrading factors, reaching values of 1.26 for cellulose and 1.18 for hemicellulose, confirming net solar energy storage. Calcium oxide significantly mitigates lignin recalcitrance, increasing its energy upgrading factor from 0.1 to 0.47. Kinetic analyses verify significant activation energy reductions, including a 35 % decrease for cellulose using nickel catalysis. This work establishes a foundational catalyst selection framework for targeted syngas regulation and efficient solar-thermochemical conversion, advancing scalable solar fuel technologies.</div></div>","PeriodicalId":325,"journal":{"name":"Fuel","volume":"409 ","pages":"Article 137892"},"PeriodicalIF":7.5,"publicationDate":"2025-12-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145692287","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"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 : 2025-12-05DOI: 10.1016/j.fuel.2025.137654
Yoo Il Lee , Yeong Ho Lee , Hyun Sung Lim , Sangwook Lee , Min Soo Kim
This study proposes an efficient system that enhances proton exchange membrane fuel cell performance by integrating a pressure swing adsorption oxygen concentrator. By increasing oxygen concentration, this approach improves mass transport and accelerates the oxygen reduction reaction, overcoming limitations caused by the low partial pressure of oxygen in ambient air. A prototype pressure swing adsorption-based oxygen concentrator was developed, and its performance was evaluated across various operational parameters. Additionally, a single fuel cell was tested with oxygen concentrations to assess the impact of oxygen enrichment on overall system output, including the energy consumption of the pressure swing adsorption unit. Results showed that at an optimized adsorption pressure of 1.5 bar, the pressure swing adsorption system produced an oxygen-enriched stream with a concentration of 47 %. Despite the additional power required to operate the pressure swing adsorption unit, the integrated system achieved a net power output increase of 38.5 %. These findings demonstrate the feasibility of pressure swing adsorption-integrated fuel cells for high-power applications, including transportation and stationary power generation.
{"title":"High-power proton exchange membrane fuel cell system with oxygen enrichment","authors":"Yoo Il Lee , Yeong Ho Lee , Hyun Sung Lim , Sangwook Lee , Min Soo Kim","doi":"10.1016/j.fuel.2025.137654","DOIUrl":"10.1016/j.fuel.2025.137654","url":null,"abstract":"<div><div>This study proposes an efficient system that enhances proton exchange membrane fuel cell performance by integrating a pressure swing adsorption oxygen concentrator. By increasing oxygen concentration, this approach improves mass transport and accelerates the oxygen reduction reaction, overcoming limitations caused by the low partial pressure of oxygen in ambient air. A prototype pressure swing adsorption-based oxygen concentrator was developed, and its performance was evaluated across various operational parameters. Additionally, a single fuel cell was tested with oxygen concentrations to assess the impact of oxygen enrichment on overall system output, including the energy consumption of the pressure swing adsorption unit. Results showed that at an optimized adsorption pressure of 1.5 bar, the pressure swing adsorption system produced an oxygen-enriched stream with a concentration of 47 %. Despite the additional power required to operate the pressure swing adsorption unit, the integrated system achieved a net power output increase of 38.5 %. These findings demonstrate the feasibility of pressure swing adsorption-integrated fuel cells for high-power applications, including transportation and stationary power generation.</div></div>","PeriodicalId":325,"journal":{"name":"Fuel","volume":"409 ","pages":"Article 137654"},"PeriodicalIF":7.5,"publicationDate":"2025-12-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145692464","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"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 : 2025-12-05DOI: 10.1016/j.fuel.2025.137803
Yuxin Xie , Penghua Qiu , Mingjie He , Can Cao , Yu Zhang , Li Liu , Chang Xing , Shaozeng Sun , Linyao Zhang
The direct-fired supercritical CO2 (DFSC) cycle is a novel, efficient, low-carbon emission power generation technology. This paper reviews various DFSC cycle layouts and their performance. Energy efficiencies for gas and solid fuel layouts are 49.32–65.7% and 18.25–53.19%, respectively. The supercritical CO2 (sCO2) combustor is a key hot end component for achieving high efficiency of the DFSC cycle system and green operation. This work traces the evolution of sCO2 combustors and studies their design features, including geometry, cooling method, and nozzles. Given the two problems of CO emissions and combustion stability, a conceptual sCO2 combustor is proposed from the aspects of nozzle structure, combustion organization method, and oxidizer composition, which provides ideas and references for the future development of sCO2 combustors. Numerical combustion is significant for understanding sCO2 oxy-fuel combustion characteristics, thus assisting the combustor design. Therefore, starting from the sCO2 combustion kinetics, this paper summarizes the optimization methods of the kinetic models (chemical reactions, equation of state, thermodynamic and transport parameters, mixing rules) and compares the basic combustion characteristics with the kinetic models. On this basis, further summarizing the sCO2 turbulent combustion characteristics. Limited by the high-precision numerical simulation’s computational efficiency and cost, an effective way to study sCO2 oxy-fuel combustion and combustor design with machine learning assistance is proposed. Future research should focus on experiments and developing efficient, high-fidelity numerical simulation frameworks.
{"title":"Advances in direct-fired sCO2 cycle and sCO2 oxy-fuel combustion","authors":"Yuxin Xie , Penghua Qiu , Mingjie He , Can Cao , Yu Zhang , Li Liu , Chang Xing , Shaozeng Sun , Linyao Zhang","doi":"10.1016/j.fuel.2025.137803","DOIUrl":"10.1016/j.fuel.2025.137803","url":null,"abstract":"<div><div>The direct-fired supercritical CO<sub>2</sub> (DFSC) cycle is a novel, efficient, low-carbon emission power generation technology. This paper reviews various DFSC cycle layouts and their performance. Energy efficiencies for gas and solid fuel layouts are 49.32–65.7% and 18.25–53.19%, respectively. The supercritical CO<sub>2</sub> (sCO<sub>2</sub>) combustor is a key hot end component for achieving high efficiency of the DFSC cycle system and green operation. This work traces the evolution of sCO<sub>2</sub> combustors and studies their design features, including geometry, cooling method, and nozzles. Given the two problems of CO emissions and combustion stability, a conceptual sCO<sub>2</sub> combustor is proposed from the aspects of nozzle structure, combustion organization method, and oxidizer composition, which provides ideas and references for the future development of sCO<sub>2</sub> combustors. Numerical combustion is significant for understanding sCO<sub>2</sub> oxy-fuel combustion characteristics, thus assisting the combustor design. Therefore, starting from the sCO<sub>2</sub> combustion kinetics, this paper summarizes the optimization methods of the kinetic models (chemical reactions, equation of state, thermodynamic and transport parameters, mixing rules) and compares the basic combustion characteristics with the kinetic models. On this basis, further summarizing the sCO<sub>2</sub> turbulent combustion characteristics. Limited by the high-precision numerical simulation’s computational efficiency and cost, an effective way to study sCO<sub>2</sub> oxy-fuel combustion and combustor design with machine learning assistance is proposed. Future research should focus on experiments and developing efficient, high-fidelity numerical simulation frameworks.</div></div>","PeriodicalId":325,"journal":{"name":"Fuel","volume":"409 ","pages":"Article 137803"},"PeriodicalIF":7.5,"publicationDate":"2025-12-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145692509","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}