Journal of The Energy Institute最新文献_第7页

The effect of plastic type on the product distribution and Cr (VI) removal in the co-pyrolysis of plastics and chromium-containing slag 塑料与含铬渣共热解过程中，塑料类型对产物分布及Cr （VI）去除的影响

IF 6.2 2区工程技术 Q2 ENERGY & FUELS

Journal of The Energy Institute

Pub Date : 2025-12-09 DOI: 10.1016/j.joei.2025.102413

Hu Chen, Tilun Shan, Sicheng Liu, Ting Liu, Huawei Zhang

The continuous accumulation of waste plastics and chromium-containing slag (CCS) poses a significant threat to the ecological environment, making the development of efficient co-processing technologies extremely urgent. This study innovatively proposes a co-pyrolysis strategy for plastics and CCS to achieve simultaneous resource recovery and detoxification. CCS, rich in metal oxides such as MgO, Fe₂O₃/Al₂O₃, serves as an efficient catalyst for plastic pyrolysis. Experimental results demonstrate that the introduction of CCS significantly enhances plastic pyrolysis efficiency: the gas yield increased by up to 12.44 wt%, the oil yield by up to 3.51 wt%, while significantly reducing the reaction activation energy and lowering the characteristic pyrolysis temperature by a maximum of 27 °C. Py-GC/MS and GC analyses further revealed that CCS directs the pyrolysis products toward a lower carbon number distribution, with light oil content increasing by 18.68 % and olefin yield rising by over 9.17 %. Conversely, the highly toxic and strongly oxidizing Cr (VI) present in CCS was effectively reduced during co-pyrolysis. EPA 3060a tests showed that the reduction rates of Cr (VI) by LDPE, HDPE, PP, PS, PVC, and PET reached 71.79 %, 59.61 %, 48.56 %, 74.29 %, 82.86 %, and 77.15 %, respectively. Notably, PVC contains chlorine elements, while PET contains oxygen elements, both can provide a stronger reducing environment, so they have better detoxification performance. Based on TG-FTIR functional group analysis, this study elucidates the synergistic mechanism involved in the co-pyrolysis process, demonstrating the feasibility and potential of this “waste-treats-waste” strategy for synergistic detoxification.

废塑料和含铬渣（CCS）的不断积累对生态环境构成了重大威胁，开发高效的协同处理技术迫在眉睫。本研究创新性地提出了塑料和CCS的共热解策略，以同时实现资源回收和解毒。CCS富含MgO、Fe2O3/Al2O3等金属氧化物，是塑料热解的高效催化剂。实验结果表明，CCS的引入显著提高了塑料热解效率，气产率提高了12.44 wt%，油产率提高了3.51 wt%，同时显著降低了反应活化能，特征热解温度最高降低了27℃。Py-GC/MS和GC分析进一步表明，CCS使热解产物向低碳数分布方向发展，轻质油含量提高18.68%，烯烃收率提高9.17%以上。相反，CCS中存在的高毒性强氧化性Cr （VI）在共热解过程中被有效还原。EPA 3060a试验表明，LDPE、HDPE、PP、PS、PVC和PET对Cr （VI）的还原率分别达到71.79%、59.61%、48.56%、74.29%、82.86%和77.15%。值得注意的是，PVC中含有氯元素，而PET中含有氧元素，两者都能提供更强的还原环境，因此具有更好的解毒性能。基于TG-FTIR官能团分析，本研究阐明了共热解过程的协同机制，论证了“废物-处理-废物”协同解毒策略的可行性和潜力。

{"title":"The effect of plastic type on the product distribution and Cr (VI) removal in the co-pyrolysis of plastics and chromium-containing slag","authors":"Hu Chen, Tilun Shan, Sicheng Liu, Ting Liu, Huawei Zhang","doi":"10.1016/j.joei.2025.102413","DOIUrl":"10.1016/j.joei.2025.102413","url":null,"abstract":"<div><div>The continuous accumulation of waste plastics and chromium-containing slag (CCS) poses a significant threat to the ecological environment, making the development of efficient co-processing technologies extremely urgent. This study innovatively proposes a co-pyrolysis strategy for plastics and CCS to achieve simultaneous resource recovery and detoxification. CCS, rich in metal oxides such as MgO, Fe<sub>2</sub>O<sub>3</sub>/Al<sub>2</sub>O<sub>3</sub>, serves as an efficient catalyst for plastic pyrolysis. Experimental results demonstrate that the introduction of CCS significantly enhances plastic pyrolysis efficiency: the gas yield increased by up to 12.44 wt%, the oil yield by up to 3.51 wt%, while significantly reducing the reaction activation energy and lowering the characteristic pyrolysis temperature by a maximum of 27 °C. Py-GC/MS and GC analyses further revealed that CCS directs the pyrolysis products toward a lower carbon number distribution, with light oil content increasing by 18.68 % and olefin yield rising by over 9.17 %. Conversely, the highly toxic and strongly oxidizing Cr (VI) present in CCS was effectively reduced during co-pyrolysis. EPA 3060a tests showed that the reduction rates of Cr (VI) by LDPE, HDPE, PP, PS, PVC, and PET reached 71.79 %, 59.61 %, 48.56 %, 74.29 %, 82.86 %, and 77.15 %, respectively. Notably, PVC contains chlorine elements, while PET contains oxygen elements, both can provide a stronger reducing environment, so they have better detoxification performance. Based on TG-FTIR functional group analysis, this study elucidates the synergistic mechanism involved in the co-pyrolysis process, demonstrating the feasibility and potential of this “waste-treats-waste” strategy for synergistic detoxification.</div></div>","PeriodicalId":17287,"journal":{"name":"Journal of The Energy Institute","volume":"124 ","pages":"Article 102413"},"PeriodicalIF":6.2,"publicationDate":"2025-12-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145733350","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

Enhanced homogeneous reduction mechanisms of NO during the pulverized coal partial gasification process: Insight from experiments and ReaxFF MD 煤粉部分气化过程中NO均相还原机制的增强：来自实验和ReaxFF MD的见解

IF 6.2 2区工程技术 Q2 ENERGY & FUELS

Journal of The Energy Institute

Pub Date : 2025-12-09 DOI: 10.1016/j.joei.2025.102410

Zeru Gong , Chen Zhang , Anyao Jiao , Fang Wu , Jiaxun Liu , Junfu Lyu

Partial gasification is an available method for the efficient and clean utilization of pulverized coal. In this study, the homogeneous reduction mechanisms of NO during coal partial gasification were elucidated by the combination of experimental and molecular dynamics approaches. The effects of temperature and reburning gas composition on NO reduction efficiency were investigated in a one-dimensional furnace. Results indicate that the NO reduction efficiency increases with rising temperature, while H₂ exerts a significant enhancing effect on this process. Reactive force field molecular dynamics (ReaxFF MD) was employed to emphatically evaluate the capacity of homogeneous reducing NO by CO and H₂ under fuel-rich conditions, exploring the reaction mechanisms at the molecular level to further verify the experimental results. Thermodynamic analyses reveal that H₂ exhibits a stronger reducing capability of NO with an optimal conversion temperature around 3200 K. CO reacts with NO at a lower rate and has an inhibitory effect in the presence of H₂. The presence of O₂ promotes the NO reduction reactions by generating radicals and increasing the N₂ yield. These results contribute to the understanding of the NO homogeneous reduction mechanisms under coal partial gasification conditions, which provides theoretical support for clean coal combustion and low nitrogen emissions.

部分气化是实现煤粉高效清洁利用的一种可行方法。本研究采用实验与分子动力学相结合的方法，阐明了煤部分气化过程中NO的均相还原机理。在一维炉上研究了温度和再燃气体组成对NO还原效率的影响。结果表明，随着温度的升高，NO还原效率逐渐提高，H2对该过程有显著的促进作用。利用反应力场分子动力学（ReaxFF MD）重点评价了富燃料条件下CO和H2均相还原NO的能力，在分子水平上探索反应机理，进一步验证实验结果。热力学分析表明，H2在3200k左右的最佳转化温度下具有较强的还原NO的能力。CO与NO反应速率较低，在H2存在下具有抑制作用。O2的存在通过生成自由基和提高N2产率来促进NO还原反应。这些结果有助于理解煤部分气化条件下NO均相还原机理，为清洁煤燃烧和低氮排放提供理论支持。

{"title":"Enhanced homogeneous reduction mechanisms of NO during the pulverized coal partial gasification process: Insight from experiments and ReaxFF MD","authors":"Zeru Gong , Chen Zhang , Anyao Jiao , Fang Wu , Jiaxun Liu , Junfu Lyu","doi":"10.1016/j.joei.2025.102410","DOIUrl":"10.1016/j.joei.2025.102410","url":null,"abstract":"<div><div>Partial gasification is an available method for the efficient and clean utilization of pulverized coal. In this study, the homogeneous reduction mechanisms of NO during coal partial gasification were elucidated by the combination of experimental and molecular dynamics approaches. The effects of temperature and reburning gas composition on NO reduction efficiency were investigated in a one-dimensional furnace. Results indicate that the NO reduction efficiency increases with rising temperature, while H<sub>2</sub> exerts a significant enhancing effect on this process. Reactive force field molecular dynamics (ReaxFF MD) was employed to emphatically evaluate the capacity of homogeneous reducing NO by CO and H<sub>2</sub> under fuel-rich conditions, exploring the reaction mechanisms at the molecular level to further verify the experimental results. Thermodynamic analyses reveal that H<sub>2</sub> exhibits a stronger reducing capability of NO with an optimal conversion temperature around 3200 K. CO reacts with NO at a lower rate and has an inhibitory effect in the presence of H<sub>2</sub>. The presence of O<sub>2</sub> promotes the NO reduction reactions by generating radicals and increasing the N<sub>2</sub> yield. These results contribute to the understanding of the NO homogeneous reduction mechanisms under coal partial gasification conditions, which provides theoretical support for clean coal combustion and low nitrogen emissions.</div></div>","PeriodicalId":17287,"journal":{"name":"Journal of The Energy Institute","volume":"124 ","pages":"Article 102410"},"PeriodicalIF":6.2,"publicationDate":"2025-12-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145733429","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

Study on the mechanism of ozone's influence on the laminar combustion characteristics of propane under different ambient pressure 不同环境压力下臭氧对丙烷层流燃烧特性的影响机理研究

IF 6.2 2区工程技术 Q2 ENERGY & FUELS

Journal of The Energy Institute

Pub Date : 2025-12-06 DOI: 10.1016/j.joei.2025.102404

Shuman Guo , Jiaqi Wang , Dong Liu , Chen Hong , Lijun Wang , Haichao Liu , Yuguo Gao , Nannan Zhang , Zhenzhong Yang , Chunjian Zhou

Propane is regarded as a potential alternative fuel for internal combustion engines (ICEs) due to its high calorific value and cleanliness. However, its application is constrained by issues such as low laminar burning velocity (LBV) and combustion instability. Ozone, as a combustion enhancer, accelerates flame kernel formation, enhances flame propagation and stability, and thus holds promise for addressing the disadvantages of propane as an ICE fuel. Existing research on ozone-assisted propane combustion has primarily focused on atmospheric pressure conditions, while studies on combustion characteristics and reaction mechanisms under medium-to-low pressure conditions remain scarce. This gap prompts the initiation of this work. This study evaluates the effects of various ambient pressure (0.1–0.2 MPa) and ozone concentrations (0 ppm, 2500 ppm, 5000 ppm) on the laminar combustion characteristics of propane under ambient temperature. Research findings reveal that under varying pressure, the heat released by ozonolysis within the pre-ignition region consistently elevates the adiabatic flame temperature (AFT) and increases the concentrations of radicals H, OH, and O. This contributes to accelerating the LBV. Specifically, at an ambient pressure of 0.1 MPa and φ = 1, the LBV of the mixture increased by approximately 17.9 % when the ozone concentration rose from 0 to 5000 ppm. Notably, the elevated oxygen concentrations influenced the reaction pathways, resulting in a ‘bulge region’ for the O₃ = O₂ + O reaction within the pre-ignition region. Furthermore, the O₂+ H = OH + O reaction exerts the greatest influence on the LBV. At atmospheric pressure, the sensitivity coefficient for this reaction is 0.407, gradually decreasing with increasing ozone concentration.

丙烷因其高热值和清洁性被认为是一种潜在的内燃机替代燃料。然而，它的应用受到低层流燃烧速度和燃烧不稳定性等问题的限制。臭氧作为燃烧助燃剂，加速火焰核的形成，增强火焰的传播和稳定性，因此有望解决丙烷作为ICE燃料的缺点。现有的臭氧辅助丙烷燃烧研究主要集中在常压条件下，而对中低压条件下的燃烧特性和反应机理的研究较少。这种差距促使了这项工作的开始。本研究考察了环境压力（0.1 ~ 0.2 MPa）和臭氧浓度（0 ppm、2500 ppm、5000 ppm）对丙烷在环境温度下层流燃烧特性的影响。研究结果表明，在不同压力下，预燃区臭氧分解释放的热量不断提高绝热火焰温度（AFT），增加自由基H、OH和o的浓度，从而加速LBV。在0.1 MPa和φ = 1的环境压力下，当臭氧浓度从0增加到5000 ppm时，混合物的LBV增加了约17.9%。值得注意的是，氧气浓度的升高影响了反应途径，导致在预点燃区域内O3 = O2 + O反应的“凸起区域”。O2+ H = OH + O反应对LBV的影响最大。在常压下，该反应的敏感性系数为0.407，随臭氧浓度的增加而逐渐降低。

{"title":"Study on the mechanism of ozone's influence on the laminar combustion characteristics of propane under different ambient pressure","authors":"Shuman Guo , Jiaqi Wang , Dong Liu , Chen Hong , Lijun Wang , Haichao Liu , Yuguo Gao , Nannan Zhang , Zhenzhong Yang , Chunjian Zhou","doi":"10.1016/j.joei.2025.102404","DOIUrl":"10.1016/j.joei.2025.102404","url":null,"abstract":"<div><div>Propane is regarded as a potential alternative fuel for internal combustion engines (ICEs) due to its high calorific value and cleanliness. However, its application is constrained by issues such as low laminar burning velocity (LBV) and combustion instability. Ozone, as a combustion enhancer, accelerates flame kernel formation, enhances flame propagation and stability, and thus holds promise for addressing the disadvantages of propane as an ICE fuel. Existing research on ozone-assisted propane combustion has primarily focused on atmospheric pressure conditions, while studies on combustion characteristics and reaction mechanisms under medium-to-low pressure conditions remain scarce. This gap prompts the initiation of this work. This study evaluates the effects of various ambient pressure (0.1–0.2 MPa) and ozone concentrations (0 ppm, 2500 ppm, 5000 ppm) on the laminar combustion characteristics of propane under ambient temperature. Research findings reveal that under varying pressure, the heat released by ozonolysis within the pre-ignition region consistently elevates the adiabatic flame temperature (AFT) and increases the concentrations of radicals H, OH, and O. This contributes to accelerating the LBV. Specifically, at an ambient pressure of 0.1 MPa and φ = 1, the LBV of the mixture increased by approximately 17.9 % when the ozone concentration rose from 0 to 5000 ppm. Notably, the elevated oxygen concentrations influenced the reaction pathways, resulting in a ‘bulge region’ for the O<sub>3</sub> = O<sub>2</sub> + O reaction within the pre-ignition region. Furthermore, the O<sub>2</sub>+ H = OH + O reaction exerts the greatest influence on the LBV. At atmospheric pressure, the sensitivity coefficient for this reaction is 0.407, gradually decreasing with increasing ozone concentration.</div></div>","PeriodicalId":17287,"journal":{"name":"Journal of The Energy Institute","volume":"124 ","pages":"Article 102404"},"PeriodicalIF":6.2,"publicationDate":"2025-12-06","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145786495","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

Study of NOx formation characteristics and influencing parameters in refuse derived fuel combustion using response surface methodology 利用响应面法研究垃圾衍生燃料燃烧中NOx形成特性及影响参数

IF 6.2 2区工程技术 Q2 ENERGY & FUELS

Journal of The Energy Institute

Pub Date : 2025-12-05 DOI: 10.1016/j.joei.2025.102403

Zhengming Yi , Zihang Zhou , Zhuo Deng , Xiaolin Chen

Refuse-derived fuel (RDF), a promising alternative fuel for energy recovery and waste treatment, generates nitrogen oxides (NO_x) during precalciner combustion. This study systematically investigates the interactive effects of three key operational parameters—combustion temperature, O₂ concentration, and CaO mass ratio—on NO_x generation characteristics during RDF combustion using Response Surface Methodology (RSM). A Box-Behnken experimental design was employed to develop a quadratic regression model for NO_x emissions, followed by analysis of variance (ANOVA) and model validation. The results indicate that O₂ concentration has the most significant impact on the peak NO_x release (Peak-NO_x), with a model F-statistic of 15.76 and a probability value P < 0.01. An increase in O₂ concentration weakens the influence of combustion temperature on Peak-NO_x, while an increase in the CaO mass ratio alters the trend of temperature's effect on Peak-NO_x. On the other hand, combustion temperature exhibits the greatest influence on total NO_x generation (Total-NO_x), with parameter interactions being significant only within the 800 °C–900 °C range. The developed models show high goodness-of-fit, with R² values of 0.9216 for Peak-NO_x and 0.9835 for Total-NO_x. Furthermore, multi-objective optimization identified the optimal combustion parameters (884 °C, 13 % O₂, 6 % CaO), under which Peak-NO_x and Total-NO_x were reduced to 236 ppm and 0.87 mg, respectively. These findings provide a theoretical foundation and technical guidance for controlling NO_x emissions during RDF combustion in precalciners.

垃圾衍生燃料（RDF）是一种很有前途的能源回收和废物处理替代燃料，在分解炉燃烧过程中产生氮氧化物（NOx）。本研究采用响应面法（RSM）系统地研究了三个关键操作参数——燃烧温度、O2浓度和CaO质量比——对RDF燃烧过程中NOx生成特性的交互影响。采用Box-Behnken实验设计建立NOx排放二次回归模型，并进行方差分析（ANOVA）和模型验证。结果表明，O2浓度对NOx峰值释放量（peak -NOx）的影响最为显著，模型f统计量为15.76，概率值P <； 0.01。O2浓度的增加减弱了燃烧温度对Peak-NOx的影响，而CaO质量比的增加改变了温度对Peak-NOx的影响趋势。另一方面，燃烧温度对总NOx生成（total -NOx）的影响最大，参数交互作用仅在800°C - 900°C范围内显著。所建立的模型拟合优度较高，Peak-NOx和Total-NOx的R2值分别为0.9216和0.9835。通过多目标优化，确定了最佳燃烧参数（884°C, 13% O2, 6% CaO），峰值nox和总nox分别降至236 ppm和0.87 mg。研究结果为控制分解炉内RDF燃烧过程中NOx的排放提供了理论基础和技术指导。

{"title":"Study of NOx formation characteristics and influencing parameters in refuse derived fuel combustion using response surface methodology","authors":"Zhengming Yi , Zihang Zhou , Zhuo Deng , Xiaolin Chen","doi":"10.1016/j.joei.2025.102403","DOIUrl":"10.1016/j.joei.2025.102403","url":null,"abstract":"<div><div>Refuse-derived fuel (RDF), a promising alternative fuel for energy recovery and waste treatment, generates nitrogen oxides (NO<sub><em>x</em></sub>) during precalciner combustion. This study systematically investigates the interactive effects of three key operational parameters—combustion temperature, O<sub>2</sub> concentration, and CaO mass ratio—on NO<sub><em>x</em></sub> generation characteristics during RDF combustion using Response Surface Methodology (RSM). A Box-Behnken experimental design was employed to develop a quadratic regression model for NO<sub><em>x</em></sub> emissions, followed by analysis of variance (ANOVA) and model validation. The results indicate that O<sub>2</sub> concentration has the most significant impact on the peak NO<sub><em>x</em></sub> release (Peak-NO<sub><em>x</em></sub>), with a model F-statistic of 15.76 and a probability value P < 0.01. An increase in O<sub>2</sub> concentration weakens the influence of combustion temperature on Peak-NO<sub><em>x</em></sub>, while an increase in the CaO mass ratio alters the trend of temperature's effect on Peak-NO<sub><em>x</em></sub>. On the other hand, combustion temperature exhibits the greatest influence on total NO<sub><em>x</em></sub> generation (Total-NO<sub><em>x</em></sub>), with parameter interactions being significant only within the 800 °C–900 °C range. The developed models show high goodness-of-fit, with R<sup>2</sup> values of 0.9216 for Peak-NO<sub><em>x</em></sub> and 0.9835 for Total-NO<sub><em>x</em></sub>. Furthermore, multi-objective optimization identified the optimal combustion parameters (884 °C, 13 % O<sub>2</sub>, 6 % CaO), under which Peak-NO<sub><em>x</em></sub> and Total-NO<sub><em>x</em></sub> were reduced to 236 ppm and 0.87 mg, respectively. These findings provide a theoretical foundation and technical guidance for controlling NO<sub><em>x</em></sub> emissions during RDF combustion in precalciners.</div></div>","PeriodicalId":17287,"journal":{"name":"Journal of The Energy Institute","volume":"124 ","pages":"Article 102403"},"PeriodicalIF":6.2,"publicationDate":"2025-12-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145733438","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

Biomass & coal co-milling: Old hat or the route to decarbonization for coal power dependent economies via novel particle size partitioning analysis 生物质和煤共磨：通过新颖的粒度分配分析，为依赖煤电的经济体提供脱碳途径

IF 6.2 2区工程技术 Q2 ENERGY & FUELS

Journal of The Energy Institute

Pub Date : 2025-12-03 DOI: 10.1016/j.joei.2025.102402

Orla Williams , Fatih Gulec , Ho Kwong Lau , Joseph Perkins , Graham O'Brien , Edward Lester

Despite the global push towards net zero, coal remains a dominant energy source in many economies. Biomass co-firing offers coal powered dependent economies a transitional decarbonization pathway, yet co-milling remains a critical barrier due to the contrasting fracture mechanics of coal and biomass and lack of understanding in the partitioning of milled blends. This study aims to overcome some of these challenges by investigating the co-milling behaviour of wood pellets and palm kernel shell (PKS), with 7 coals (5 Australian, 1 Indonesian and 1 Colombian) using a ball and race mill with pneumatic classification. These two biomasses were blended with each coal at 10 % and 40 % wt/wt. The milling performance was evaluated using particle size distribution (PSD) statistical analysis, novel application of thermal characterisation on the milled size fractions, and application of Von Rittinger's comminution theory to rank grindability. Results demonstrate that while PKS exhibits mill choking when milled alone, co-milling enables complete milling, indicating a synergistic effect. Thermogravimetric analysis of size fractions enables the first reported estimation of biomass and coal partitioning within co-milled products. The Von Rittinger constant ranking revealed that softer coals require disproportionately higher energy when blended with biomass, particularly at higher blend ratios. Predictive models based on parent material PSD and thermal composition were developed to estimate co-milled particle size and specific energy consumption, showing good agreement at low blend ratios and highlighting synergistic effects at higher biomass contents. This study provides new insights into the physical and thermal partitioning of co-milled biomass and coal blends, demonstrating that co-milling can mitigate biomass milling limitations and improve throughput. The findings support the development of predictive models for PSD and energy consumption based on the parent material properties, offering practical guidance for the transition towards lower-carbon energy systems.

尽管全球都在努力实现净零排放，但煤炭仍然是许多经济体的主要能源来源。生物质共烧为依赖煤炭的经济体提供了一种过渡性脱碳途径，但由于煤和生物质的断裂机制不同，以及对混合混合物的分配缺乏了解，共磨仍然是一个关键障碍。本研究旨在通过研究7种煤（5种澳大利亚煤、1种印度尼西亚煤和1种哥伦比亚煤）的木颗粒和棕榈核壳（PKS）的共磨行为，使用带有气动分类的球磨机来克服其中的一些挑战。这两种生物质分别以10%和40%的重量/重量与每种煤混合。利用粒度分布（PSD）统计分析、磨矿粒度组分热表征的新应用以及冯·里廷格（Von Rittinger）粉碎理论对可磨性进行分级，对磨矿性能进行了评估。结果表明，虽然PKS在单独磨铣时出现磨屑堵塞，但共磨可以实现完全磨铣，表明协同效应。尺寸分数的热重分析使首次报道的生物质和煤在共磨产品分配的估计。冯·里廷格常数排名显示，软煤在与生物质混合时需要不成比例的高能量，特别是在较高的混合比例下。基于母材PSD和热成分的预测模型用于估计共磨粒度和比能耗，在低混合比例下显示出良好的一致性，在高生物量含量下突出了协同效应。该研究为共磨生物质和煤混合物的物理和热分配提供了新的见解，表明共磨可以减轻生物质研磨限制并提高吞吐量。研究结果支持了基于母材性能的PSD和能耗预测模型的发展，为向低碳能源系统的过渡提供了实用指导。

{"title":"Biomass & coal co-milling: Old hat or the route to decarbonization for coal power dependent economies via novel particle size partitioning analysis","authors":"Orla Williams , Fatih Gulec , Ho Kwong Lau , Joseph Perkins , Graham O'Brien , Edward Lester","doi":"10.1016/j.joei.2025.102402","DOIUrl":"10.1016/j.joei.2025.102402","url":null,"abstract":"<div><div>Despite the global push towards net zero, coal remains a dominant energy source in many economies. Biomass co-firing offers coal powered dependent economies a transitional decarbonization pathway, yet co-milling remains a critical barrier due to the contrasting fracture mechanics of coal and biomass and lack of understanding in the partitioning of milled blends. This study aims to overcome some of these challenges by investigating the co-milling behaviour of wood pellets and palm kernel shell (PKS), with 7 coals (5 Australian, 1 Indonesian and 1 Colombian) using a ball and race mill with pneumatic classification. These two biomasses were blended with each coal at 10 % and 40 % wt/wt. The milling performance was evaluated using particle size distribution (PSD) statistical analysis, novel application of thermal characterisation on the milled size fractions, and application of Von Rittinger's comminution theory to rank grindability. Results demonstrate that while PKS exhibits mill choking when milled alone, co-milling enables complete milling, indicating a synergistic effect. Thermogravimetric analysis of size fractions enables the first reported estimation of biomass and coal partitioning within co-milled products. The Von Rittinger constant ranking revealed that softer coals require disproportionately higher energy when blended with biomass, particularly at higher blend ratios. Predictive models based on parent material PSD and thermal composition were developed to estimate co-milled particle size and specific energy consumption, showing good agreement at low blend ratios and highlighting synergistic effects at higher biomass contents. This study provides new insights into the physical and thermal partitioning of co-milled biomass and coal blends, demonstrating that co-milling can mitigate biomass milling limitations and improve throughput. The findings support the development of predictive models for PSD and energy consumption based on the parent material properties, offering practical guidance for the transition towards lower-carbon energy systems.</div></div>","PeriodicalId":17287,"journal":{"name":"Journal of The Energy Institute","volume":"125 ","pages":"Article 102402"},"PeriodicalIF":6.2,"publicationDate":"2025-12-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145839048","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

Plasma-enhanced microwave-driven methane pyrolysis for hydrogen and carbon production 等离子体增强微波驱动甲烷热解生产氢和碳

IF 6.2 2区工程技术 Q2 ENERGY & FUELS

Journal of The Energy Institute

Pub Date : 2025-12-01 DOI: 10.1016/j.joei.2025.102400

Francisco Cepeda, Luke Di Liddo, Liam Mendoza, Murray J. Thomson

Microwave-driven methane pyrolysis is a promising pathway for low-GHG hydrogen production. In this process, carbon particles absorb microwave radiation, heat the gas phase, and promote the decomposition of methane. Previous studies hypothesize that localized microplasmas, formed by arcing between conductive particles, may enhance pyrolysis by creating non-thermal excitation of methane molecules. However, the role of microplasmas has not been systematically isolated or quantified. This study investigates the impact of non-thermal plasma discharges on methane conversion and hydrogen yield using a microwave-driven fluidized-bed reactor. Graphitized carbon particles and tungsten electrodes were used to generate intense controlled plasma discharges while maintaining constant microwave power and bulk temperature. Results show that microplasmas induced by graphite alone do not significantly affect methane conversion. In contrast, the addition of unpowered electrodes results in a marked increase in methane conversion (up to 20%) and hydrogen yield. Carbon products formed in the plasma region were characterized by SEM, Raman, and XPS, revealing nanostructured, disordered carbon distinct from thermal film deposits. These findings suggest that only intense, electrode-driven discharges substantially enhance pyrolysis and carbon black production, informing reactor design strategies for efficient hydrogen generation.

微波驱动甲烷热解是一种很有前途的低温室气体制氢途径。在这个过程中，碳颗粒吸收微波辐射，加热气相，促进甲烷的分解。先前的研究假设，由导电颗粒之间的电弧形成的局部微等离子体可能通过产生甲烷分子的非热激发来增强热解。然而，微等离子体的作用尚未被系统地分离或量化。在微波驱动的流化床反应器中，研究了非热等离子体放电对甲烷转化和氢气产量的影响。石墨化碳颗粒和钨电极在保持恒定的微波功率和体温的情况下产生强烈的可控等离子体放电。结果表明，石墨单独诱导的微等离子体对甲烷转化没有显著影响。相比之下，添加无动力电极可显著提高甲烷转化率（高达20%）和氢气产量。等离子体区形成的碳产物通过SEM、拉曼和XPS进行了表征，揭示了不同于热膜沉积的纳米结构、无序碳。这些发现表明，只有强烈的、电极驱动的放电才能显著提高热解和炭黑的产量，从而为高效制氢的反应器设计策略提供信息。

{"title":"Plasma-enhanced microwave-driven methane pyrolysis for hydrogen and carbon production","authors":"Francisco Cepeda, Luke Di Liddo, Liam Mendoza, Murray J. Thomson","doi":"10.1016/j.joei.2025.102400","DOIUrl":"10.1016/j.joei.2025.102400","url":null,"abstract":"<div><div>Microwave-driven methane pyrolysis is a promising pathway for low-GHG hydrogen production. In this process, carbon particles absorb microwave radiation, heat the gas phase, and promote the decomposition of methane. Previous studies hypothesize that localized microplasmas, formed by arcing between conductive particles, may enhance pyrolysis by creating non-thermal excitation of methane molecules. However, the role of microplasmas has not been systematically isolated or quantified. This study investigates the impact of non-thermal plasma discharges on methane conversion and hydrogen yield using a microwave-driven fluidized-bed reactor. Graphitized carbon particles and tungsten electrodes were used to generate intense controlled plasma discharges while maintaining constant microwave power and bulk temperature. Results show that microplasmas induced by graphite alone do not significantly affect methane conversion. In contrast, the addition of unpowered electrodes results in a marked increase in methane conversion (up to 20%) and hydrogen yield. Carbon products formed in the plasma region were characterized by SEM, Raman, and XPS, revealing nanostructured, disordered carbon distinct from thermal film deposits. These findings suggest that only intense, electrode-driven discharges substantially enhance pyrolysis and carbon black production, informing reactor design strategies for efficient hydrogen generation.</div></div>","PeriodicalId":17287,"journal":{"name":"Journal of The Energy Institute","volume":"124 ","pages":"Article 102400"},"PeriodicalIF":6.2,"publicationDate":"2025-12-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145681398","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

A review of hybrid computational fluid dynamics and machine learning approaches for the combustion of alternative fuels 替代燃料燃烧的混合计算流体动力学和机器学习方法综述

IF 6.2 2区工程技术 Q2 ENERGY & FUELS

Journal of The Energy Institute

Pub Date : 2025-11-28 DOI: 10.1016/j.joei.2025.102384

Evans K. Quaye , Pan Jianfeng , Fan Baowei , Lu Qingbo , Zhang Yi , Jiang Chao , Li Zhongjia , Yang Wenming

The transition to clean fuels is essential for meeting global decarbonization objectives. However, the complex combustion modeling and optimization of these fuels pose significant challenges. Traditional modeling approaches like Computational Fluid Dynamics (CFD), although accurate and foundational, struggle with computational costs, limited scalability, and fidelity trade-offs in combustion systems. This review seeks to evaluate the challenges and transformative potential of combining CFD with Machine Learning (ML) to the combustion of three key candidate fuels in the transition towards a sustainable energy future namely; hydrogen, ammonia, and biofuels. ML techniques including Artificial Neural Network (ANN), Gaussian Processes and Reinforcement Learning, are shown to supplement CFD workflows by accelerating the combustion process and the characteristics of these fuels. Case studies show that CFD-ML hybrid can speed up computations by up to about two orders of magnitude without significantly compromising the accuracy. This enables the real-time optimization of the combustion, mitigate NOx formation, reduce unburned ammonia-slips and addresses the soot formation of biofuels. Despite these advances, unaddressed challenges like data scarcity for high-pressure regimes, interpretability of the so-called black-box ML models, and scalability gaps in industrial applications still exist. The review identifies physics-informed ML models, digital twins, and established critical algorithm selection criteria essential for successfully integrating ML into CFD combustion studies. This interdisciplinary convergence has proven to be an efficient tool in combustion studies while accelerating the design of carbon-neutral energy systems. The study therefore harnesses CFD-ML synergy for applications in modeling sustainable combustion technologies for power generation, aviation, and heavy industry.

向清洁燃料过渡对于实现全球脱碳目标至关重要。然而，这些燃料复杂的燃烧建模和优化带来了重大挑战。计算流体动力学（CFD）等传统建模方法虽然准确且基础，但在燃烧系统中存在计算成本、有限的可扩展性和保真度权衡等问题。本综述旨在评估将CFD与机器学习（ML）结合起来，在向可持续能源未来过渡的过程中燃烧三种关键候选燃料的挑战和变革潜力，即：氢，氨和生物燃料。包括人工神经网络（ANN）、高斯过程（Gaussian Processes）和强化学习（Reinforcement Learning）在内的机器学习技术通过加速燃烧过程和这些燃料的特性来补充CFD工作流程。案例研究表明，CFD-ML混合可以在不显著影响准确性的情况下将计算速度提高约两个数量级。这可以实现燃烧的实时优化，减少氮氧化物的形成，减少未燃烧的氨滑，并解决生物燃料的烟灰形成问题。尽管取得了这些进步，但仍存在一些未解决的挑战，如高压环境下的数据稀缺、所谓的黑箱ML模型的可解释性以及工业应用中的可扩展性差距。该综述确定了基于物理的ML模型、数字双胞胎，并建立了将ML成功集成到CFD燃烧研究中必不可少的关键算法选择标准。这种跨学科的融合已被证明是燃烧研究的有效工具，同时加速了碳中性能源系统的设计。因此，该研究利用CFD-ML协同作用，为发电、航空和重工业的可持续燃烧技术建模提供了应用。

{"title":"A review of hybrid computational fluid dynamics and machine learning approaches for the combustion of alternative fuels","authors":"Evans K. Quaye , Pan Jianfeng , Fan Baowei , Lu Qingbo , Zhang Yi , Jiang Chao , Li Zhongjia , Yang Wenming","doi":"10.1016/j.joei.2025.102384","DOIUrl":"10.1016/j.joei.2025.102384","url":null,"abstract":"<div><div>The transition to clean fuels is essential for meeting global decarbonization objectives. However, the complex combustion modeling and optimization of these fuels pose significant challenges. Traditional modeling approaches like Computational Fluid Dynamics (CFD), although accurate and foundational, struggle with computational costs, limited scalability, and fidelity trade-offs in combustion systems. This review seeks to evaluate the challenges and transformative potential of combining CFD with Machine Learning (ML) to the combustion of three key candidate fuels in the transition towards a sustainable energy future namely; hydrogen, ammonia, and biofuels. ML techniques including Artificial Neural Network (ANN), Gaussian Processes and Reinforcement Learning, are shown to supplement CFD workflows by accelerating the combustion process and the characteristics of these fuels. Case studies show that CFD-ML hybrid can speed up computations by up to about two orders of magnitude without significantly compromising the accuracy. This enables the real-time optimization of the combustion, mitigate NOx formation, reduce unburned ammonia-slips and addresses the soot formation of biofuels. Despite these advances, unaddressed challenges like data scarcity for high-pressure regimes, interpretability of the so-called black-box ML models, and scalability gaps in industrial applications still exist. The review identifies physics-informed ML models, digital twins, and established critical algorithm selection criteria essential for successfully integrating ML into CFD combustion studies. This interdisciplinary convergence has proven to be an efficient tool in combustion studies while accelerating the design of carbon-neutral energy systems. The study therefore harnesses CFD-ML synergy for applications in modeling sustainable combustion technologies for power generation, aviation, and heavy industry.</div></div>","PeriodicalId":17287,"journal":{"name":"Journal of The Energy Institute","volume":"124 ","pages":"Article 102384"},"PeriodicalIF":6.2,"publicationDate":"2025-11-28","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145681415","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

Study of mesoporous silica-supported catalysts for the selective catalytic reduction of NOx using NH3 as reducing agent 介孔二氧化硅负载催化剂以NH3为还原剂选择性催化还原NOx的研究

IF 6.2 2区工程技术 Q2 ENERGY & FUELS

Journal of The Energy Institute

Pub Date : 2025-11-27 DOI: 10.1016/j.joei.2025.102386

Shyam Sunder Rao, Rohit Kumar Yadav, Vivek Kumar Patel, Abhishek Anand, Sweta Sharma

This study evaluates the performance of newly developed MnO₂/CeO₂-KIT-6 and MnO₂/CeO₂-SBA-15 catalysts for NO reduction via the NH₃-SCR process. The catalysts were thoroughly characterized using a range of techniques, including Brunauer–Emmett–Teller (BET), X-ray diffraction (XRD), transmission electron microscopy (TEM), X-ray photoelectron spectroscopy (XPS), scanning electron microscopy (SEM), energy-dispersive X-ray spectroscopy (EDX), and Raman spectroscopy. XRD analysis revealed a cubic phase structure in both CeO₂ and MnO₂. Among the two, the MnO₂/CeO₂-KIT-6 catalyst showed the highest contents of Ce³⁺ (54.0 %), Mn⁴⁺ (71.0 %), and surface adsorbed oxygen (75.4 %). Catalytic activity tests demonstrated that MnO₂/CeO₂-KIT-6 outperformed MnO₂/CeO₂-SBA-15 across a temperature range of 50–450 °C, achieving a maximum NO conversion of 75 % and N₂ selectivity of 86 % at 250 °C. Furthermore, increasing the MnO₂ loading in the (20 wt%) MnO₂/CeO₂-KIT-6 catalyst improved NO conversion and N₂ selectivity, reaching 80 % and nearly 89 %, respectively.

研究了新开发的MnO2/CeO2-KIT-6和MnO2/CeO2-SBA-15催化剂在NH3-SCR工艺中还原NO的性能。利用Brunauer-Emmett-Teller （BET）、x射线衍射（XRD）、透射电子显微镜（TEM）、x射线光电子能谱（XPS）、扫描电子显微镜（SEM）、能量色散x射线能谱（EDX）和拉曼光谱等一系列技术对催化剂进行了全面表征。XRD分析表明，CeO2和MnO2均为立方相结构。其中，MnO2/CeO2-KIT-6催化剂的Ce3+(54.0%)、Mn4+(71.0%)和表面吸附氧（75.4%）含量最高。催化活性测试表明，在50-450℃的温度范围内，MnO2/CeO2-KIT-6的催化活性优于MnO2/CeO2-SBA-15，在250℃时，NO转化率达到75%，N2选择性达到86%。此外，增加（20wt %） MnO2/CeO2-KIT-6催化剂中MnO2的负载可提高NO转化率和N2选择性，分别达到80%和近89%。

{"title":"Study of mesoporous silica-supported catalysts for the selective catalytic reduction of NOx using NH3 as reducing agent","authors":"Shyam Sunder Rao, Rohit Kumar Yadav, Vivek Kumar Patel, Abhishek Anand, Sweta Sharma","doi":"10.1016/j.joei.2025.102386","DOIUrl":"10.1016/j.joei.2025.102386","url":null,"abstract":"<div><div>This study evaluates the performance of newly developed MnO<sub>2</sub>/CeO<sub>2</sub>-KIT-6 and MnO<sub>2</sub>/CeO<sub>2</sub>-SBA-15 catalysts for NO reduction via the NH<sub>3</sub>-SCR process. The catalysts were thoroughly characterized using a range of techniques, including Brunauer–Emmett–Teller (BET), X-ray diffraction (XRD), transmission electron microscopy (TEM), X-ray photoelectron spectroscopy (XPS), scanning electron microscopy (SEM), energy-dispersive X-ray spectroscopy (EDX), and Raman spectroscopy. XRD analysis revealed a cubic phase structure in both CeO<sub>2</sub> and MnO<sub>2</sub>. Among the two, the MnO<sub>2</sub>/CeO<sub>2</sub>-KIT-6 catalyst showed the highest contents of Ce<sup>3+</sup> (54.0 %), Mn<sup>4+</sup> (71.0 %), and surface adsorbed oxygen (75.4 %). Catalytic activity tests demonstrated that MnO<sub>2</sub>/CeO<sub>2</sub>-KIT-6 outperformed MnO<sub>2</sub>/CeO<sub>2</sub>-SBA-15 across a temperature range of 50–450 °C, achieving a maximum NO conversion of 75 % and N<sub>2</sub> selectivity of 86 % at 250 °C. Furthermore, increasing the MnO<sub>2</sub> loading in the (20 wt%) MnO<sub>2</sub>/CeO<sub>2</sub>-KIT-6 catalyst improved NO conversion and N<sub>2</sub> selectivity, reaching 80 % and nearly 89 %, respectively.</div></div>","PeriodicalId":17287,"journal":{"name":"Journal of The Energy Institute","volume":"124 ","pages":"Article 102386"},"PeriodicalIF":6.2,"publicationDate":"2025-11-27","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145681403","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

Synergistic Mn–Ce modification of mesoporous silica microspheres for deoxygenation of bio-oil to biofuel 介孔二氧化硅微球协同Mn-Ce改性用于生物油脱氧制备生物燃料

IF 6.2 2区工程技术 Q2 ENERGY & FUELS

Journal of The Energy Institute

Pub Date : 2025-11-26 DOI: 10.1016/j.joei.2025.102399

Birce Pekmezci Karaman , Nuray Oktar , Fatih Güleç

Achieving a net-zero carbon future necessitates the development of sustainable biofuels as alternatives to fossil-derived transportation fuels. However, the direct use of raw bio-oil is limited by its high oxygen content, chemical instability, and corrosiveness, making catalytic upgrading to hydrocarbon-rich fuels essential. Conventional catalysts for bio-oil upgrading often suffer from poor selectivity, rapid deactivation due to coke formation, or insufficient resistance to the complex oxygenates present in bio-oil. This study investigates the catalytic upgrading of biomass-derived bio-oil using novel mesoporous silica-based microsphere catalysts functionalized with manganese (Mn) and cerium (Ce) via a microencapsulation technique, which enhances metal dispersion and redox properties. Catalytic activity tests were carried out at 400 °C under atmospheric pressure using a model bio-oil mixture (furfural, formic acid, and hydroxypropanol) co-fed with ethanol at a 70:30 volumetric ratio. The results show that Mn-functionalized mesoporous silica microspheres (SMC) achieve 94 % conversion and high isoparaffin selectivity (71 %). Moreover, the synergistic incorporation of Ce introduces enhanced redox behavior and oxygen-vacancy sites in addition to drastically suppressing coke formation, which decreased from ∼22 wt% (unmodified SMC) to 1.4 wt% (5Ce@5Mn-SMC). These results indicate that Mn- and Ce-functionalized silica microspheres exhibit high catalytic activity and long-term stability, providing better performance in converting oxygen-rich bio-oil into high-quality hydrocarbon fuels.

实现净零碳排放的未来需要发展可持续的生物燃料，作为化石来源的运输燃料的替代品。然而，原料生物油的直接使用受到其高氧含量、化学不稳定性和腐蚀性的限制，因此催化升级为富含碳氢化合物的燃料是必不可少的。传统的生物油升级催化剂往往存在选择性差，因结焦而快速失活，或对生物油中存在的复杂含氧物的抵抗力不足的问题。本研究通过微胶囊化技术，研究了新型介孔硅基锰、铈功能化微球催化剂对生物质衍生生物油的催化升级，从而提高了金属的分散性和氧化还原性能。催化活性测试在400℃常压下进行，使用模型生物油混合物（糠醛、甲酸和羟丙醇）以70:30的体积比与乙醇共投。结果表明，锰功能化介孔二氧化硅微球（SMC）的转化率为94%，异石蜡选择性高（71%）。此外，Ce的协同掺入除了显著抑制焦炭形成外，还引入了增强的氧化还原行为和氧空位，焦炭形成从~ 22 wt%（未改性SMC）下降到1.4 wt% （5Ce@5Mn-SMC）。这些结果表明，Mn和ce功能化二氧化硅微球具有较高的催化活性和长期稳定性，可以更好地将富氧生物油转化为高质量的碳氢燃料。

{"title":"Synergistic Mn–Ce modification of mesoporous silica microspheres for deoxygenation of bio-oil to biofuel","authors":"Birce Pekmezci Karaman , Nuray Oktar , Fatih Güleç","doi":"10.1016/j.joei.2025.102399","DOIUrl":"10.1016/j.joei.2025.102399","url":null,"abstract":"<div><div>Achieving a net-zero carbon future necessitates the development of sustainable biofuels as alternatives to fossil-derived transportation fuels. However, the direct use of raw bio-oil is limited by its high oxygen content, chemical instability, and corrosiveness, making catalytic upgrading to hydrocarbon-rich fuels essential. Conventional catalysts for bio-oil upgrading often suffer from poor selectivity, rapid deactivation due to coke formation, or insufficient resistance to the complex oxygenates present in bio-oil. This study investigates the catalytic upgrading of biomass-derived bio-oil using novel mesoporous silica-based microsphere catalysts functionalized with manganese (Mn) and cerium (Ce) via a microencapsulation technique, which enhances metal dispersion and redox properties. Catalytic activity tests were carried out at 400 °C under atmospheric pressure using a model bio-oil mixture (furfural, formic acid, and hydroxypropanol) co-fed with ethanol at a 70:30 volumetric ratio. The results show that Mn-functionalized mesoporous silica microspheres (SMC) achieve 94 % conversion and high isoparaffin selectivity (71 %). Moreover, the synergistic incorporation of Ce introduces enhanced redox behavior and oxygen-vacancy sites in addition to drastically suppressing coke formation, which decreased from ∼22 wt% (unmodified SMC) to 1.4 wt% (5Ce@5Mn-SMC). These results indicate that Mn- and Ce-functionalized silica microspheres exhibit high catalytic activity and long-term stability, providing better performance in converting oxygen-rich bio-oil into high-quality hydrocarbon fuels.</div></div>","PeriodicalId":17287,"journal":{"name":"Journal of The Energy Institute","volume":"124 ","pages":"Article 102399"},"PeriodicalIF":6.2,"publicationDate":"2025-11-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145614597","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

The effect of the pre-decomposition of NH3 on its combustion performance: A ReaxFF study NH3预分解对其燃烧性能影响的ReaxFF研究

IF 6.2 2区工程技术 Q2 ENERGY & FUELS

Journal of The Energy Institute

Pub Date : 2025-11-26 DOI: 10.1016/j.joei.2025.102390

Yutong Hu, Hai Zhang, Wenyang Liu, Kai Wang, Chuanjin Zhao, Weidong Fan

Ammonia combustion is crucial due to its promise as a renewable energy source and its ability to curb greenhouse gas emissions in power generation sector. The pre-decomposition of NH₃ is evidenced to be an important modification for the improvement of the NH₃ combustion. However, the detailed mechanisms behind this improvement remains unclear. In this work, focus is directed on the enhancement mechanisms of the pre-decomposition of NH₃ based on the application of the Reactive Force Field Molecular Dynamics (ReaxFF MD) modelling through comprehensive understanding on the effect of temperature (T = 2500–3500 K), excess air coefficient (λ = 1.0–1.3), staged ratio (α = 0.2–0.8), and decomposition ratio (β = 0.5–0.9) on the encompassed kinetics and mechanisms. The results show that pre-decomposition reduces combustion time (notably at β < 0.7) and lowers activation energy. A trade-off between H₂O and NO_x emissions emerges, where H₂O suppresses NO via OH-mediated inhibition of N₂+O→NO + N. Increasing β (0.5 → 0.9, α = 0.2) boosts HNO→NO but amplifies NO→N₂ and H₂N₂→N₂, yielding net NO reduction. Raising α to 0.5 suppresses HNO→NO while enhancing NH₃→NH₂ and NH₂→N₂, favoring N₂ stability. Besides, pre-decomposed combustion effectively suppresses NO_x emissions.The results from the present work will provide great support for the industrial adjustable strategies with efficient and low-NO_x combustion of NH₃.

氨燃烧是至关重要的，因为它作为一种可再生能源的前景，以及它在发电部门遏制温室气体排放的能力。NH3的预分解是改善NH3燃烧的重要修饰。然而，这种改进背后的详细机制尚不清楚。本文通过对温度（T = 2500-3500 K）、过量空气系数（λ = 1.0-1.3）、阶段比（α = 0.2-0.8）和分解比（β = 0.5-0.9）对NH3预分解动力学和机理的影响的综合理解，重点研究了基于反作用力场分子动力学（ReaxFF MD）模型的NH3预分解增强机理。结果表明，预分解缩短了燃烧时间（特别是在β <； 0.7处），降低了活化能。H2O和NOx排放之间存在权衡，其中H2O通过oh介导的抑制N2+O→NO + n来抑制NO，增加β（0.5→0.9,α = 0.2）促进HNO→NO，但放大NO→N2和H2N2→N2，产生净NO还原。α升高至0.5抑制HNO→NO，增强NH3→NH2和NH2→N2，有利于N2稳定性。预分解燃烧能有效抑制NOx的排放。本研究结果将为NH3高效低nox燃烧的工业调节策略提供有力支持。

{"title":"The effect of the pre-decomposition of NH3 on its combustion performance: A ReaxFF study","authors":"Yutong Hu, Hai Zhang, Wenyang Liu, Kai Wang, Chuanjin Zhao, Weidong Fan","doi":"10.1016/j.joei.2025.102390","DOIUrl":"10.1016/j.joei.2025.102390","url":null,"abstract":"<div><div>Ammonia combustion is crucial due to its promise as a renewable energy source and its ability to curb greenhouse gas emissions in power generation sector. The pre-decomposition of NH<sub>3</sub> is evidenced to be an important modification for the improvement of the NH<sub>3</sub> combustion. However, the detailed mechanisms behind this improvement remains unclear. In this work, focus is directed on the enhancement mechanisms of the pre-decomposition of NH<sub>3</sub> based on the application of the Reactive Force Field Molecular Dynamics (ReaxFF MD) modelling through comprehensive understanding on the effect of temperature (T = 2500–3500 K), excess air coefficient (λ = 1.0–1.3), staged ratio (α = 0.2–0.8), and decomposition ratio (β = 0.5–0.9) on the encompassed kinetics and mechanisms. The results show that pre-decomposition reduces combustion time (notably at β < 0.7) and lowers activation energy. A trade-off between H<sub>2</sub>O and NO<sub>x</sub> emissions emerges, where H<sub>2</sub>O suppresses NO via OH-mediated inhibition of N<sub>2</sub>+O→NO + N. Increasing β (0.5 → 0.9, α = 0.2) boosts HNO→NO but amplifies NO→N<sub>2</sub> and H<sub>2</sub>N<sub>2</sub>→N<sub>2</sub>, yielding net NO reduction. Raising α to 0.5 suppresses HNO→NO while enhancing NH<sub>3</sub>→NH<sub>2</sub> and NH<sub>2</sub>→N<sub>2</sub>, favoring N<sub>2</sub> stability. Besides, pre-decomposed combustion effectively suppresses NO<sub>x</sub> emissions.The results from the present work will provide great support for the industrial adjustable strategies with efficient and low-NO<sub>x</sub> combustion of NH<sub>3</sub>.</div></div>","PeriodicalId":17287,"journal":{"name":"Journal of The Energy Institute","volume":"124 ","pages":"Article 102390"},"PeriodicalIF":6.2,"publicationDate":"2025-11-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145614632","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