Journal of The Energy Institute最新文献_第9页

Experimental study on NO emission characteristics during oxy-fuel combustion of semi-coke in a pressurized fluidized bed 加压流化床半焦炭全氧燃烧NO排放特性实验研究

IF 6.2 2区工程技术 Q2 ENERGY & FUELS

Journal of The Energy Institute

Pub Date : 2026-02-01 Epub Date: 2025-10-17 DOI: 10.1016/j.joei.2025.102350

Hengbing Ye , Qinwen Liu , Wenqi Zhong , Yonghua Gu , Guanwen Zhou , Yiwei Zhang , Qian Liu

Pressurized oxy-fuel combustion (POFC) represents a clean and efficient combustion technology. To facilitate cascade utilization of fuel chemical energy and promote cleaner coal combustion, this study integrates coal staged conversion with POFC. Semi-coke, a high-calorific-value fuel produced during coal pyrolysis/gasification, exhibits notably reduced volatile content post-conversion, rendering it challenging to ignite under conventional air conditions. The elevated pressure and enriched oxygen environment of POFC compensate for the higher ignition threshold of semi-coke. Despite these advantages, the pathways and mechanisms underlying NO formation from semi-coke combustion remain poorly understood. In this research, semi-coke was generated via partial gasification in a pressurized tubular furnace reactor. We examined changes in the transformation characteristics of nitrogen (N) functional groups, surface pore structure of the semi-coke, and their Impact on NO emissions during combustion. POFC experiments (oxy-30) were conducted in a bespoke pressurized fluidized bed reactor for investigating the effects of pressure, semi-coke type, temperature and H₂O concentration on NO emissions. The findings indicate that increasing the pressure from 0.1 MPa to 0.5 MPa reduces the NO emission concentration from semi-coke combustion by 60.4 %. When compared to the direct combustion of bituminous coal, semi-coke offers superior NO reduction capabilities under pressurized oxy-fuel conditions. The augmented presence of highly stable N-containing groups, such as N-6 and N-Q, in semi-coke leads to reduced NO emissions during combustion. Elevated temperatures result in higher NO emissions; however, under increased pressure, the extent of NO reduction becomes more pronounced with rising temperatures. A rise in water vapor concentration leads to a reduction in NO emissions, and pressure enhances such an inhibitory effect.

加压全氧燃烧（POFC）是一种清洁、高效的燃烧技术。为了促进燃料化学能的梯级利用，促进煤炭的清洁燃烧，本研究将煤炭分级转化与POFC相结合。半焦是煤热解/气化过程中产生的高热值燃料，转化后挥发分含量显著降低，在常规空气条件下难以点燃。POFC的高压和富氧环境弥补了半焦较高的着火阈值。尽管有这些优点，半焦燃烧生成NO的途径和机制仍然知之甚少。在加压管式反应器中，通过部分气化生成半焦。研究了半焦中氮(N)官能团的转化特征、表面孔隙结构的变化及其对燃烧过程中NO排放的影响。在定制的加压流化床反应器中进行了POFC实验（氧-30），研究了压力、半焦类型、温度和水浓度对NO排放的影响。结果表明，将压力从0.1 MPa提高到0.5 MPa，可使半焦燃烧时NO排放浓度降低60.4%。与直接燃烧烟煤相比，半焦在加压氧燃料条件下具有优越的NO还原能力。在半焦中增加高稳定的含n基团，如N-6和N-Q，导致燃烧过程中NO排放减少。气温升高导致一氧化氮排放量增加；然而，在压力增加的情况下，随着温度的升高，NO减少的程度变得更加明显。水蒸气浓度的升高导致NO排放的减少，而压力增强了这种抑制作用。

{"title":"Experimental study on NO emission characteristics during oxy-fuel combustion of semi-coke in a pressurized fluidized bed","authors":"Hengbing Ye , Qinwen Liu , Wenqi Zhong , Yonghua Gu , Guanwen Zhou , Yiwei Zhang , Qian Liu","doi":"10.1016/j.joei.2025.102350","DOIUrl":"10.1016/j.joei.2025.102350","url":null,"abstract":"<div><div>Pressurized oxy-fuel combustion (POFC) represents a clean and efficient combustion technology. To facilitate cascade utilization of fuel chemical energy and promote cleaner coal combustion, this study integrates coal staged conversion with POFC. Semi-coke, a high-calorific-value fuel produced during coal pyrolysis/gasification, exhibits notably reduced volatile content post-conversion, rendering it challenging to ignite under conventional air conditions. The elevated pressure and enriched oxygen environment of POFC compensate for the higher ignition threshold of semi-coke. Despite these advantages, the pathways and mechanisms underlying NO formation from semi-coke combustion remain poorly understood. In this research, semi-coke was generated via partial gasification in a pressurized tubular furnace reactor. We examined changes in the transformation characteristics of nitrogen (N) functional groups, surface pore structure of the semi-coke, and their Impact on NO emissions during combustion. POFC experiments (oxy-30) were conducted in a bespoke pressurized fluidized bed reactor for investigating the effects of pressure, semi-coke type, temperature and H<sub>2</sub>O concentration on NO emissions. The findings indicate that increasing the pressure from 0.1 MPa to 0.5 MPa reduces the NO emission concentration from semi-coke combustion by 60.4 %. When compared to the direct combustion of bituminous coal, semi-coke offers superior NO reduction capabilities under pressurized oxy-fuel conditions. The augmented presence of highly stable N-containing groups, such as N-6 and N-Q, in semi-coke leads to reduced NO emissions during combustion. Elevated temperatures result in higher NO emissions; however, under increased pressure, the extent of NO reduction becomes more pronounced with rising temperatures. A rise in water vapor concentration leads to a reduction in NO emissions, and pressure enhances such an inhibitory effect.</div></div>","PeriodicalId":17287,"journal":{"name":"Journal of The Energy Institute","volume":"124 ","pages":"Article 102350"},"PeriodicalIF":6.2,"publicationDate":"2026-02-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145681401","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

Towards enhanced hydrocarbons from catalytic co-pyrolysis of pinewood and polypropylene with CaO/ZSM-5 CaO/ZSM-5对松木和聚丙烯催化共热解增强型烃的研究

IF 6.2 2区工程技术 Q2 ENERGY & FUELS

Journal of The Energy Institute

Pub Date : 2026-02-01 Epub Date: 2025-11-07 DOI: 10.1016/j.joei.2025.102362

Jiawei Wu , Zhiwei Wang , Na Guo , Mengju Zhang , Zaifeng Li , Shuhua Yang , Tingzhou Lei

The catalytic co-pyrolysis of biomass and plastic waste is one of highly effective approaches for the production of hydrocarbons. However, the yield of hydrocarbons is still very low. The combination of CaO and ZSM-5 can improve the quality of hydrocarbon fuels. CaO/ZSM-5 catalyst was prepared by wet impregnation method. Material characterizations such as FTIR, XRD and SEM were carried out to examine the CaO/ZSM-5 catalyst. Catalytic co-pyrolysis experiments were conducted on pinewood and polypropylene (PP) using Py-GC/MS. The pyrolysis temperature was 500–700 °C. The sample mass was 0.1 ± 0.01 mg. During the pyrolysis of pinewood alone, the addition of CaO increased the yields of aldehydes, ketones, furans, aromatic hydrocarbons and aliphatic hydrocarbons, and decreased the yields of phenols, esters, acids, alcohols and N-compounds compared with that without catalysts. The addition of ZSM-5 decreased the yield of phenols and increased the yield of aromatic hydrocarbons. CaO/ZSM-5 can increase the yield of hydrocarbons, the order of influencing factors from high to low on hydrocarbons production was blend ratio of CaO to ZSM-5 > temperature > reaction time > blend ratio of raw material to catalyst. With the sufficient CaO loading, oxygen-containing compounds can be converted into to hydrocarbons. The yield of aliphatic hydrocarbon first increased and then decreased with the increasing of CaO loading. When pinewood: PP: CaO/ZSM-5 = 1:1:5, the highest yields of aliphatic hydrocarbons and aromatic hydrocarbons were 90.91 % and 5.05 %. It can reduce the discarding of plastic and the burning of biomass. These results provide some practical insights on hydrocarbons production from mixtures of pinewood and polypropylene using co-pyrolysis technology. The composition of liquid phase products in the co-pyrolysis of Pinewood and PP is relatively complex. How to efficiently separate and purify the high value-added chemicals and fuels is a research direction for the next step.

生物质与塑料废弃物的催化共热解是生产碳氢化合物的有效途径之一。然而，碳氢化合物的产率仍然很低。CaO与ZSM-5混合可提高碳氢燃料的质量。采用湿浸渍法制备了CaO/ZSM-5催化剂。对CaO/ZSM-5催化剂进行了FTIR、XRD、SEM等表征。采用Py-GC/MS对松木和聚丙烯（PP）进行了催化共热解实验。热解温度为500 ~ 700℃。样品质量为0.1±0.01 mg。在松木单独热解过程中，CaO的加入使醛类、酮类、呋喃类、芳香烃和脂肪烃的产率提高，酚类、酯类、酸类、醇类和n化合物的产率降低。ZSM-5的加入降低了苯酚的产率，提高了芳烃的产率。CaO/ZSM-5能提高烃类收率，影响烃类收率的因素由高到低依次为CaO与ZSM-5的掺合比>；温度>；反应时间>；原料与催化剂的掺合比。在CaO负荷充足的情况下，含氧化合物可转化为烃类。随着CaO负荷的增加，脂肪烃的产率先升高后降低。当松木：PP: CaO/ZSM-5 = 1:1:5时，脂肪烃和芳烃的收率最高，分别为90.91%和5.05%。它可以减少塑料的丢弃和生物质的燃烧。这些结果为松木和聚丙烯共热解生产碳氢化合物提供了一些实用的见解。松木与PP共热解液相产物的组成比较复杂。如何高效分离和净化高附加值化学品和燃料是下一步的研究方向。

{"title":"Towards enhanced hydrocarbons from catalytic co-pyrolysis of pinewood and polypropylene with CaO/ZSM-5","authors":"Jiawei Wu , Zhiwei Wang , Na Guo , Mengju Zhang , Zaifeng Li , Shuhua Yang , Tingzhou Lei","doi":"10.1016/j.joei.2025.102362","DOIUrl":"10.1016/j.joei.2025.102362","url":null,"abstract":"<div><div>The catalytic co-pyrolysis of biomass and plastic waste is one of highly effective approaches for the production of hydrocarbons. However, the yield of hydrocarbons is still very low. The combination of CaO and ZSM-5 can improve the quality of hydrocarbon fuels. CaO/ZSM-5 catalyst was prepared by wet impregnation method. Material characterizations such as FTIR, XRD and SEM were carried out to examine the CaO/ZSM-5 catalyst. Catalytic co-pyrolysis experiments were conducted on pinewood and polypropylene (PP) using Py-GC/MS. The pyrolysis temperature was 500–700 °C. The sample mass was 0.1 ± 0.01 mg. During the pyrolysis of pinewood alone, the addition of CaO increased the yields of aldehydes, ketones, furans, aromatic hydrocarbons and aliphatic hydrocarbons, and decreased the yields of phenols, esters, acids, alcohols and N-compounds compared with that without catalysts. The addition of ZSM-5 decreased the yield of phenols and increased the yield of aromatic hydrocarbons. CaO/ZSM-5 can increase the yield of hydrocarbons, the order of influencing factors from high to low on hydrocarbons production was blend ratio of CaO to ZSM-5 > temperature > reaction time > blend ratio of raw material to catalyst. With the sufficient CaO loading, oxygen-containing compounds can be converted into to hydrocarbons. The yield of aliphatic hydrocarbon first increased and then decreased with the increasing of CaO loading. When pinewood: PP: CaO/ZSM-5 = 1:1:5, the highest yields of aliphatic hydrocarbons and aromatic hydrocarbons were 90.91 % and 5.05 %. It can reduce the discarding of plastic and the burning of biomass. These results provide some practical insights on hydrocarbons production from mixtures of pinewood and polypropylene using co-pyrolysis technology. The composition of liquid phase products in the co-pyrolysis of Pinewood and PP is relatively complex. How to efficiently separate and purify the high value-added chemicals and fuels is a research direction for the next step.</div></div>","PeriodicalId":17287,"journal":{"name":"Journal of The Energy Institute","volume":"124 ","pages":"Article 102362"},"PeriodicalIF":6.2,"publicationDate":"2026-02-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145517263","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

Pyrolysis behaviors of coal under NH3-blending conditions and combustion kinetics of co-pyrolyzed char nh3掺合条件下煤的热解行为及共热解焦的燃烧动力学

IF 6.2 2区工程技术 Q2 ENERGY & FUELS

Journal of The Energy Institute

Pub Date : 2026-02-01 Epub Date: 2025-11-25 DOI: 10.1016/j.joei.2025.102401

Renjie Zou, Wencong Qiu, Guangqian Luo, Mingda Li, Yi Xiao, Chunhui Sun, Tianyu Zhao, Haoyu Zhang, Jinfeng Zhou, Xian Li, Hong Yao

The retrofitting of traditional coal-fired power plants with ammonia co-combustion technology has the potential for rapidly reducing CO₂ emissions. This study investigated the pyrolysis behaviors of coal under NH₃-blending conditions and the combustion kinetics of co-pyrolyzed char. It was found that NH₃ inhibited the release of CO₂ and H₂ during the pyrolysis of coal. NH₃ and its fragments interacted with the char and caused the migration of hydrogen and nitrogen elements to the char. The formation of additional micropores in the co-pyrolyzed coal char resulted in an enhanced specific surface area. Combustion kinetics experiments were conducted using a micro-fluidized bed coupled with a mass spectrometer (MFB-MS). The early-stage reaction rate of the co-pyrolyzed char exhibited a notable increase. At pyrolysis temperatures of 900–1000 °C, the combustion reactivity of the co-pyrolyzed char was higher than that of the sole-pyrolyzed char. However, the promotion of NH₃ on the ordering of the carbon skeleton structure increased at 1200 °C, resulting in a reduction in char reactivity. The char pyrolyzed with a 5 % NH₃ concentration exhibited the optimal combustion reactivity. The activation energies of the co-pyrolyzed char ranged from 100.24 to 129.37 kJ/mol, which decreased by 9.41–38.98 kJ/mol compared with that of sole-pyrolyzed char.

采用氨共燃技术对传统燃煤电厂进行改造，具有快速减少二氧化碳排放的潜力。研究了煤在nh3混合条件下的热解行为以及共热解焦的燃烧动力学。结果表明，NH3对煤热解过程中CO2和H2的释放有抑制作用。NH3及其碎片与焦炭相互作用，导致氢、氮元素向焦炭迁移。在共热解的煤焦中形成额外的微孔，导致比表面积增加。采用微流化床联用质谱仪（MFB-MS）进行了燃烧动力学实验。共热解焦的早期反应速率明显提高。在900 ~ 1000℃的热解温度下，共热解炭的燃烧反应活性高于单热解炭。而在1200℃时，NH3对碳骨架结构有序性的促进作用增强，导致炭的反应性降低。当NH3浓度为5%时，热解后的炭表现出最佳的燃烧反应活性。共热解炭的活化能范围为100.24 ~ 129.37 kJ/mol，比单热解炭的活化能降低了9.41 ~ 38.98 kJ/mol。

{"title":"Pyrolysis behaviors of coal under NH3-blending conditions and combustion kinetics of co-pyrolyzed char","authors":"Renjie Zou, Wencong Qiu, Guangqian Luo, Mingda Li, Yi Xiao, Chunhui Sun, Tianyu Zhao, Haoyu Zhang, Jinfeng Zhou, Xian Li, Hong Yao","doi":"10.1016/j.joei.2025.102401","DOIUrl":"10.1016/j.joei.2025.102401","url":null,"abstract":"<div><div>The retrofitting of traditional coal-fired power plants with ammonia co-combustion technology has the potential for rapidly reducing CO<sub>2</sub> emissions. This study investigated the pyrolysis behaviors of coal under NH<sub>3</sub>-blending conditions and the combustion kinetics of co-pyrolyzed char. It was found that NH<sub>3</sub> inhibited the release of CO<sub>2</sub> and H<sub>2</sub> during the pyrolysis of coal. NH<sub>3</sub> and its fragments interacted with the char and caused the migration of hydrogen and nitrogen elements to the char. The formation of additional micropores in the co-pyrolyzed coal char resulted in an enhanced specific surface area. Combustion kinetics experiments were conducted using a micro-fluidized bed coupled with a mass spectrometer (MFB-MS). The early-stage reaction rate of the co-pyrolyzed char exhibited a notable increase. At pyrolysis temperatures of 900–1000 °C, the combustion reactivity of the co-pyrolyzed char was higher than that of the sole-pyrolyzed char. However, the promotion of NH<sub>3</sub> on the ordering of the carbon skeleton structure increased at 1200 °C, resulting in a reduction in char reactivity. The char pyrolyzed with a 5 % NH<sub>3</sub> concentration exhibited the optimal combustion reactivity. The activation energies of the co-pyrolyzed char ranged from 100.24 to 129.37 kJ/mol, which decreased by 9.41–38.98 kJ/mol compared with that of sole-pyrolyzed char.</div></div>","PeriodicalId":17287,"journal":{"name":"Journal of The Energy Institute","volume":"124 ","pages":"Article 102401"},"PeriodicalIF":6.2,"publicationDate":"2026-02-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145786497","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

Carbon-based catalysts for methane dry reforming: Advances, challenges, and prospects 甲烷干重整碳基催化剂：进展、挑战和前景

IF 6.2 2区工程技术 Q2 ENERGY & FUELS

Journal of The Energy Institute

Pub Date : 2026-02-01 Epub Date: 2025-10-15 DOI: 10.1016/j.joei.2025.102342

Guangbing Zhao , Dong Shen , Shihua Zheng , Jiuhong Wei , Ying Wang , Yuqiong Zhao , Jun Liu , Guoqiang Li , Guojie Zhang

Dry reforming of methane (DRM) is a promising catalytic process that converts two major greenhouse gases—methane (CH₄), and carbon dioxide (CO₂)—into syngas with a near-unity H₂/CO ratio, offering both environmental and economic benefits. As a key technology in China's "dual carbon" strategy, DRM faces challenges from catalyst deactivation due to coking and sintering of active metal sites. Carbon-based materials are promising supports for DRM catalysts due to their high surface area, porous structure, and corrosion resistance. These materials help prevent sintering by dispersing active metal nanoparticles, while their surface electronic effects enhance CH₄ activation and reduce carbon deposition. This review discusses the structural and physicochemical properties of various carbon materials—such as activated carbon, carbon nanotubes, biochar, graphene, and hydrochar—and their roles in DRM. It also covers strategies for metal loading, support modifications (e.g., heteroatom doping and defect engineering), composite synergies, and the influence of preparation methods like microwave-assisted synthesis and solid-state techniques on catalyst performance. Finally, it addresses key challenges such as high-temperature stability and long-term coke resistance, offering insights and future directions for advancing carbon-based catalysts in DRM applications.

甲烷干重整（DRM）是一种很有前途的催化过程，它将两种主要的温室气体——甲烷（CH4）和二氧化碳（CO2）——转化为H2/CO比接近统一的合成气，具有环境和经济效益。作为中国“双碳”战略的关键技术，DRM面临着由于活性金属位点的焦化和烧结导致催化剂失活的挑战。碳基材料因其高表面积、多孔结构和耐腐蚀性而成为DRM催化剂的有希望的支撑材料。这些材料通过分散活性金属纳米颗粒来防止烧结，同时它们的表面电子效应增强了CH4的活化，减少了碳沉积。本文综述了活性炭、碳纳米管、生物炭、石墨烯和碳氢化合物等各种碳材料的结构和物理化学性质及其在DRM中的作用。它还涵盖了金属负载策略，支持修饰（例如，杂原子掺杂和缺陷工程），复合材料协同作用，以及微波辅助合成和固态技术等制备方法对催化剂性能的影响。最后，它解决了高温稳定性和长期抗焦性等关键挑战，为推进碳基催化剂在DRM应用中的应用提供了见解和未来方向。

{"title":"Carbon-based catalysts for methane dry reforming: Advances, challenges, and prospects","authors":"Guangbing Zhao , Dong Shen , Shihua Zheng , Jiuhong Wei , Ying Wang , Yuqiong Zhao , Jun Liu , Guoqiang Li , Guojie Zhang","doi":"10.1016/j.joei.2025.102342","DOIUrl":"10.1016/j.joei.2025.102342","url":null,"abstract":"<div><div>Dry reforming of methane (DRM) is a promising catalytic process that converts two major greenhouse gases—methane (CH<sub>4</sub>), and carbon dioxide (CO<sub>2</sub>)—into syngas with a near-unity H<sub>2</sub>/CO ratio, offering both environmental and economic benefits. As a key technology in China's \"dual carbon\" strategy, DRM faces challenges from catalyst deactivation due to coking and sintering of active metal sites. Carbon-based materials are promising supports for DRM catalysts due to their high surface area, porous structure, and corrosion resistance. These materials help prevent sintering by dispersing active metal nanoparticles, while their surface electronic effects enhance CH<sub>4</sub> activation and reduce carbon deposition. This review discusses the structural and physicochemical properties of various carbon materials—such as activated carbon, carbon nanotubes, biochar, graphene, and hydrochar—and their roles in DRM. It also covers strategies for metal loading, support modifications (e.g., heteroatom doping and defect engineering), composite synergies, and the influence of preparation methods like microwave-assisted synthesis and solid-state techniques on catalyst performance. Finally, it addresses key challenges such as high-temperature stability and long-term coke resistance, offering insights and future directions for advancing carbon-based catalysts in DRM applications.</div></div>","PeriodicalId":17287,"journal":{"name":"Journal of The Energy Institute","volume":"124 ","pages":"Article 102342"},"PeriodicalIF":6.2,"publicationDate":"2026-02-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145327359","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

Morphology-engineered Y2O3 nanostructures for boosting the RWGS reaction performance over Cu-based catalysts 形态工程Y2O3纳米结构在cu基催化剂上提高RWGS反应性能

IF 6.2 2区工程技术 Q2 ENERGY & FUELS

Journal of The Energy Institute

Pub Date : 2026-02-01 Epub Date: 2025-11-11 DOI: 10.1016/j.joei.2025.102381

Peng Zhang , Guang-Hui Liu , Yao-Shun Wen , Yu-Hong Kang , Yang-Fan Yin , Sheng Li , Zhi-Xin Li , Zhi-Hao Ma

Morphology engineering plays a pivotal role in boosting catalytic performance over heterogeneous catalysis. However, although Y₂O₃ (a rare earth oxide) has been found to possess various morphologies, including nanoplate (NP), nanosphere (NS) and nanorod (NR), the lack of understanding of its catalytic mechanism still limits its further application. Herein, catalytic mechanism of Y₂O₃ morphologies in reverse water-gas shift (RWGS) reaction over Cu-based catalysts was systematically investigated. Although Y₂O₃ morphologies don't affect CO selectivity, it has a significant impact on CO₂ conversion and stability. Systematic characterization reveals that Y₂O₃ morphologies not only can optimize the CO₂ adsorption capacity and Cu nanoparticles size to enhance catalytic activity, but also can regulate the metal-support interaction to improve catalytic stability. The order of activity and stability of the Cu/Y₂O₃ catalysts from high to low is: Cu/_NPY₂O₃ > Cu/_NRY₂O₃ > Cu/_NSY₂O₃. This work clarifies the morphological-performance relationship in rare earth oxide-Y₂O₃, providing a new approach for the design of high-performance Cu-based catalysts for RWGS reaction and promoting the application of morphology engineering in heterogeneous catalysis.

形态学工程在提高多相催化性能方面起着关键作用。然而，尽管Y2O3（一种稀土氧化物）已经被发现具有多种形态，包括纳米板（NP）、纳米球（NS）和纳米棒（NR），但对其催化机理的缺乏了解仍然限制了它的进一步应用。本文系统研究了Y2O3形态在cu基催化剂上催化水气反变换反应的机理。虽然Y2O3的形貌不影响CO的选择性，但对CO2的转化率和稳定性有显著影响。系统表征表明，Y2O3形态不仅可以优化CO2吸附能力和Cu纳米颗粒尺寸，提高催化活性，还可以调节金属-载体相互作用，提高催化稳定性。Cu/Y2O3催化剂的活性和稳定性由高到低的顺序为：Cu/NPY2O3 >； Cu/NRY2O3 > Cu/NSY2O3。本研究阐明了稀土氧化物- y2o3的形态-性能关系，为设计高性能cu基RWGS反应催化剂提供了新途径，促进了形态工程在多相催化中的应用。

{"title":"Morphology-engineered Y2O3 nanostructures for boosting the RWGS reaction performance over Cu-based catalysts","authors":"Peng Zhang , Guang-Hui Liu , Yao-Shun Wen , Yu-Hong Kang , Yang-Fan Yin , Sheng Li , Zhi-Xin Li , Zhi-Hao Ma","doi":"10.1016/j.joei.2025.102381","DOIUrl":"10.1016/j.joei.2025.102381","url":null,"abstract":"<div><div>Morphology engineering plays a pivotal role in boosting catalytic performance over heterogeneous catalysis. However, although Y<sub>2</sub>O<sub>3</sub> (a rare earth oxide) has been found to possess various morphologies, including nanoplate (NP), nanosphere (NS) and nanorod (NR), the lack of understanding of its catalytic mechanism still limits its further application. Herein, catalytic mechanism of Y<sub>2</sub>O<sub>3</sub> morphologies in reverse water-gas shift (RWGS) reaction over Cu-based catalysts was systematically investigated. Although Y<sub>2</sub>O<sub>3</sub> morphologies don't affect CO selectivity, it has a significant impact on CO<sub>2</sub> conversion and stability. Systematic characterization reveals that Y<sub>2</sub>O<sub>3</sub> morphologies not only can optimize the CO<sub>2</sub> adsorption capacity and Cu nanoparticles size to enhance catalytic activity, but also can regulate the metal-support interaction to improve catalytic stability. The order of activity and stability of the Cu/Y<sub>2</sub>O<sub>3</sub> catalysts from high to low is: Cu/<sub>NP</sub>Y<sub>2</sub>O<sub>3</sub> > Cu/<sub>NR</sub>Y<sub>2</sub>O<sub>3</sub> > Cu/<sub>NS</sub>Y<sub>2</sub>O<sub>3</sub>. This work clarifies the morphological-performance relationship in rare earth oxide-Y<sub>2</sub>O<sub>3</sub>, providing a new approach for the design of high-performance Cu-based catalysts for RWGS reaction and promoting the application of morphology engineering in heterogeneous catalysis.</div></div>","PeriodicalId":17287,"journal":{"name":"Journal of The Energy Institute","volume":"124 ","pages":"Article 102381"},"PeriodicalIF":6.2,"publicationDate":"2026-02-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145569224","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

Research on performance improvement of ammonia engine based on optimization of active pre-chamber hydrogen injection strategy 基于主动预室喷氢策略优化的氨发动机性能提升研究

IF 6.2 2区工程技术 Q2 ENERGY & FUELS

Journal of The Energy Institute

Pub Date : 2026-02-01 Epub Date: 2025-11-19 DOI: 10.1016/j.joei.2025.102383

Liming Wang , Fangxi Xie , Linghai Han , Yanfeng Gong , Hanshi Qu , Zhe Zhao , Xiangyang Wang

Ammonia is a zero-carbon fuel with broad application prospects, yet it faces challenges such as difficulty in ignition and slow flame propagation speed. Active pre-chamber hydrogen jet ignition represents a highly promising technical approach to overcoming the combustion challenges of ammonia. In this experiment, the effects of pre-chamber hydrogen injection parameters on engine combustion, fuel economy, and emission characteristics were investigated. The results indicate that a hydrogen energy ratio (HER) around 6.6 % yields the most concentrated combustion, significantly increases the peak heat release rate, and shortens the combustion duration. The brake thermal efficiency (BTE) shows a non-monotonic relationship with HER, achieving its maximum value at HER = 6.6 %, which is 3.62 % higher than at HER = 1.8 %. Regarding emissions, increasing HER reduces unburned NH₃ but increases NO_x emissions. Excessively advanced or retarded hydrogen injection timing (HIT) delays the combustion phasing, reduces the indicated mean effective pressure (IMEP), and increases NH₃ emissions. Combustion performance are optimal when HIT is between 75°CA BTDC and 100°CA BTDC. In comparison, HIP exhibits a minor influence on engine performance, with 1 MPa yielding superior performance in IMEP and BTE while maintaining the coefficient of variation of IMEP (COV_IMEP) below 2.3 %. This work establishes optimized injection parameter ranges for active pre-chamber ammonia engines, providing critical insights for scaling up hydrogen-enhanced ammonia combustion systems.

氨是一种具有广泛应用前景的零碳燃料，但它也面临着点火困难、火焰传播速度慢等挑战。主动预室氢喷射点火是克服氨燃烧挑战的一种非常有前途的技术方法。本试验研究了预室喷氢参数对发动机燃烧、燃油经济性和排放特性的影响。结果表明，当氢能比（HER）为6.6%左右时，燃烧最集中，峰值放热率显著提高，燃烧持续时间缩短。制动热效率（BTE）与HER呈非单调关系，在HER = 6.6%时达到最大值，比HER = 1.8%时高出3.62%。在排放方面，增加HER减少了未燃烧的NH3，但增加了NOx排放。过度提前或延迟的氢喷射时间（HIT）会延迟燃烧阶段，降低指示的平均有效压力（IMEP），并增加NH3排放。燃烧性能在75°CA下止点到100°CA下止点之间最佳。相比之下，低压力对发动机性能的影响较小，当压力为1 MPa时，发动机在IMEP和BTE方面表现优异，同时IMEP的变异系数（COVIMEP）保持在2.3%以下。这项工作为主动预室氨发动机建立了优化的喷射参数范围，为扩大氢增强氨燃烧系统提供了重要见解。

{"title":"Research on performance improvement of ammonia engine based on optimization of active pre-chamber hydrogen injection strategy","authors":"Liming Wang , Fangxi Xie , Linghai Han , Yanfeng Gong , Hanshi Qu , Zhe Zhao , Xiangyang Wang","doi":"10.1016/j.joei.2025.102383","DOIUrl":"10.1016/j.joei.2025.102383","url":null,"abstract":"<div><div>Ammonia is a zero-carbon fuel with broad application prospects, yet it faces challenges such as difficulty in ignition and slow flame propagation speed. Active pre-chamber hydrogen jet ignition represents a highly promising technical approach to overcoming the combustion challenges of ammonia. In this experiment, the effects of pre-chamber hydrogen injection parameters on engine combustion, fuel economy, and emission characteristics were investigated. The results indicate that a hydrogen energy ratio (HER) around 6.6 % yields the most concentrated combustion, significantly increases the peak heat release rate, and shortens the combustion duration. The brake thermal efficiency (BTE) shows a non-monotonic relationship with HER, achieving its maximum value at HER = 6.6 %, which is 3.62 % higher than at HER = 1.8 %. Regarding emissions, increasing HER reduces unburned NH<sub>3</sub> but increases NO<sub>x</sub> emissions. Excessively advanced or retarded hydrogen injection timing (HIT) delays the combustion phasing, reduces the indicated mean effective pressure (IMEP), and increases NH<sub>3</sub> emissions. Combustion performance are optimal when HIT is between 75°CA BTDC and 100°CA BTDC. In comparison, HIP exhibits a minor influence on engine performance, with 1 MPa yielding superior performance in IMEP and BTE while maintaining the coefficient of variation of IMEP (COV<sub>IMEP</sub>) below 2.3 %. This work establishes optimized injection parameter ranges for active pre-chamber ammonia engines, providing critical insights for scaling up hydrogen-enhanced ammonia combustion systems.</div></div>","PeriodicalId":17287,"journal":{"name":"Journal of The Energy Institute","volume":"124 ","pages":"Article 102383"},"PeriodicalIF":6.2,"publicationDate":"2026-02-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145569225","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

Effect of nitrogen-containing functional groups on the oxidation characteristics of polycyclic aromatic hydrocarbons: A combined study of ReaxFF MD simulations and quantum chemical calculations 含氮官能团对多环芳烃氧化特性的影响：ReaxFF MD模拟和量子化学计算的结合研究

IF 6.2 2区工程技术 Q2 ENERGY & FUELS

Journal of The Energy Institute

Pub Date : 2026-02-01 Epub Date: 2025-11-24 DOI: 10.1016/j.joei.2025.102391

Qingyang Liu, Haoye Liu, Tianyou Wang

In this study, the effect of nitrogen-containing functional groups introduced by nitrogen-containing species on the oxidation characteristics of polycyclic aromatic hydrocarbons (PAHs) was explored with reactive force field molecule dynamics (ReaxFF MD) simulations and quantum chemical calculations. The results of oxidation degrees indicate nitrogen-containing functional groups promote the oxidation of PAHs to varying extents. The evolution of the number of aromatic rings further demonstrates that nitrogen-containing functional groups accelerate oxidative cleavage of aromatic rings into chain molecules more effectively than isoelectronic hydrocarbon functional groups. Reaction mechanism analysis indicates that nitrogen-containing functional groups have higher reactivity, making them more likely to react with O₂ and active radicals (O and OH radicals). Energy barrier analysis shows that the energy barrier for the H-abstraction by O₂ involving the amino group is lower than that of isoelectronic hydrocarbon functional groups. Meanwhile, the amino group lowers the energy barriers for both H-abstraction and O-addition reactions on the aromatic ring, greatly reducing the difficulty for active radicals to attack the aromatic ring. Overall, nitrogen-containing functional groups affect the oxidation characteristics of PAHs through two main effects: (1) Nitrogen-containing functional groups exhibit high reactivity, making them prone to rapid oxidation reactions with O₂ and active radicals; (2) Nitrogen-containing functional groups reduce the energy barriers of key oxidation reactions involving the aromatic ring, or maintain it at a lower level, facilitating the attack of active radicals on the aromatic rings. The synergistic effect of these two factors makes PAHs with nitrogen-containing functional groups more susceptible to oxidation.

本研究通过反应力场分子动力学（ReaxFF MD）模拟和量子化学计算，探讨了含氮物种引入的含氮官能团对多环芳烃（PAHs）氧化特性的影响。氧化度结果表明含氮官能团对多环芳烃的氧化有不同程度的促进作用。芳烃环数的演化进一步表明，含氮官能团比等电子烃官能团更能促进芳烃环氧化裂解成链状分子。反应机理分析表明，含氮官能团具有较高的反应活性，更容易与O2和活性自由基（O和OH自由基）发生反应。能量势垒分析表明，氧对氨基的吸氢势垒低于对等电子烃官能团的吸氢势垒。同时，氨基降低了芳烃环上吸h和o加成反应的能垒，大大降低了活性自由基攻击芳烃环的难度。综上所述，含氮官能团通过两个主要作用影响多环芳烃的氧化特性：(1)含氮官能团具有较高的反应活性，容易与O2和活性自由基发生快速氧化反应；(2)含氮官能团使涉及芳环的关键氧化反应的能垒降低或维持在较低水平，有利于活性自由基对芳环的攻击。这两个因素的协同作用使得含氮官能团的多环芳烃更容易被氧化。

{"title":"Effect of nitrogen-containing functional groups on the oxidation characteristics of polycyclic aromatic hydrocarbons: A combined study of ReaxFF MD simulations and quantum chemical calculations","authors":"Qingyang Liu, Haoye Liu, Tianyou Wang","doi":"10.1016/j.joei.2025.102391","DOIUrl":"10.1016/j.joei.2025.102391","url":null,"abstract":"<div><div>In this study, the effect of nitrogen-containing functional groups introduced by nitrogen-containing species on the oxidation characteristics of polycyclic aromatic hydrocarbons (PAHs) was explored with reactive force field molecule dynamics (ReaxFF MD) simulations and quantum chemical calculations. The results of oxidation degrees indicate nitrogen-containing functional groups promote the oxidation of PAHs to varying extents. The evolution of the number of aromatic rings further demonstrates that nitrogen-containing functional groups accelerate oxidative cleavage of aromatic rings into chain molecules more effectively than isoelectronic hydrocarbon functional groups. Reaction mechanism analysis indicates that nitrogen-containing functional groups have higher reactivity, making them more likely to react with O<sub>2</sub> and active radicals (O and OH radicals). Energy barrier analysis shows that the energy barrier for the H-abstraction by O<sub>2</sub> involving the amino group is lower than that of isoelectronic hydrocarbon functional groups. Meanwhile, the amino group lowers the energy barriers for both H-abstraction and O-addition reactions on the aromatic ring, greatly reducing the difficulty for active radicals to attack the aromatic ring. Overall, nitrogen-containing functional groups affect the oxidation characteristics of PAHs through two main effects: (1) Nitrogen-containing functional groups exhibit high reactivity, making them prone to rapid oxidation reactions with O<sub>2</sub> and active radicals; (2) Nitrogen-containing functional groups reduce the energy barriers of key oxidation reactions involving the aromatic ring, or maintain it at a lower level, facilitating the attack of active radicals on the aromatic rings. The synergistic effect of these two factors makes PAHs with nitrogen-containing functional groups more susceptible to oxidation.</div></div>","PeriodicalId":17287,"journal":{"name":"Journal of The Energy Institute","volume":"124 ","pages":"Article 102391"},"PeriodicalIF":6.2,"publicationDate":"2026-02-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145614596","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 : 2026-02-01 Epub 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":"2026-02-01","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

Experimental study on the combustion characteristics and pollutant properties of coal/ammonia/biomass co-combustion based on a 90 kW one-dimensional furnace 基于90kw一维炉的煤/氨/生物质共燃燃烧特性及污染物特性实验研究

IF 6.2 2区工程技术 Q2 ENERGY & FUELS

Journal of The Energy Institute

Pub Date : 2026-02-01 Epub Date: 2025-11-25 DOI: 10.1016/j.joei.2025.102389

Jingwen Liu, Kunquan He, Qiwei Wu, Hao Zhou

One of the core paths to reduce carbon emissions globally is to promote the low-carbon transition of the traditional coal power industry, in which the co-firing of coal with zero-carbon fuels (e.g., biomass, ammonia) for power generation has become a key technology direction. This study conducted an experimental study of biomass and bituminous coal/ammonia at different co-firing ratios based on a 90 kW one-dimensional combustion furnace. The effects of different biomass proportions (0 %–30 %) on combustion temperature, flue gas composition, unburned carbon, and fly ash characteristics of coal and coal/ammonia ratio of 4:1 co-firing system were investigated. The study found that the addition of biomass in coal and coal/ammonia co-firing systems led to an increase in furnace temperature, while combustion stability exhibited slight fluctuations but remained within an acceptable range. As the biomass co-firing ratio increased from 0 % to 30 %, NO_x concentrations decreased from 429.6 ppm to 263.1 ppm in the coal-biomass system, and from 465.8 ppm to 395.0 ppm in the coal-ammonia-biomass system. Concurrently, SO₂ emissions exhibited a declining trend across both fuel combinations. The fuel burnout characteristics were improved. The particle size of fly ash decreased after the co-combustion of pulverized coal and ammonia, and the addition of biomass could improve this phenomenon, but it was more prone to ash and slagging. An investigation into the effect of air staging on pollutant emissions revealed that the coal/ammonia/biomass mixture achieved the lowest NO_x emissions at a 20 % air staging ratio. This study establishes the feasibility of coal/ammonia/biomass co-combustion, supplying supporting data for reducing both pollutant and carbon emissions from coal-fired units.

全球范围内减少碳排放的核心路径之一是推动传统煤电行业的低碳转型，其中煤炭与零碳燃料（如生物质、氨）共烧发电已成为关键技术方向。本研究在90kw一维燃烧炉上对生物质和烟煤/氨在不同共燃比下进行了实验研究。研究了不同生物质比例（0% ~ 30%）对煤和煤氨比为4:1共烧系统燃烧温度、烟气组成、未燃碳和飞灰特性的影响。研究发现，煤和煤/氨共烧系统中添加生物质导致炉温升高，燃烧稳定性略有波动，但仍在可接受的范围内。随着生物质共烧比从0%增加到30%，煤-生物质系统的NOx浓度从429.6 ppm降低到263.1 ppm，煤-氨-生物质系统的NOx浓度从465.8 ppm降低到395.0 ppm。同时，两种燃料组合的二氧化硫排放量均呈现下降趋势。燃料燃尽特性得到改善。煤粉与氨气共燃后，粉煤灰粒径减小，生物质的加入可以改善这一现象，但更容易结灰结渣。一项关于空气分级对污染物排放影响的调查显示，当空气分级比例为20%时，煤/氨/生物质混合物的氮氧化物排放量最低。本研究确立了煤/氨/生物质共燃的可行性，为减少燃煤机组污染物和碳排放提供了支持数据。

{"title":"Experimental study on the combustion characteristics and pollutant properties of coal/ammonia/biomass co-combustion based on a 90 kW one-dimensional furnace","authors":"Jingwen Liu, Kunquan He, Qiwei Wu, Hao Zhou","doi":"10.1016/j.joei.2025.102389","DOIUrl":"10.1016/j.joei.2025.102389","url":null,"abstract":"<div><div>One of the core paths to reduce carbon emissions globally is to promote the low-carbon transition of the traditional coal power industry, in which the co-firing of coal with zero-carbon fuels (e.g., biomass, ammonia) for power generation has become a key technology direction. This study conducted an experimental study of biomass and bituminous coal/ammonia at different co-firing ratios based on a 90 kW one-dimensional combustion furnace. The effects of different biomass proportions (0 %–30 %) on combustion temperature, flue gas composition, unburned carbon, and fly ash characteristics of coal and coal/ammonia ratio of 4:1 co-firing system were investigated. The study found that the addition of biomass in coal and coal/ammonia co-firing systems led to an increase in furnace temperature, while combustion stability exhibited slight fluctuations but remained within an acceptable range. As the biomass co-firing ratio increased from 0 % to 30 %, NO<sub>x</sub> concentrations decreased from 429.6 ppm to 263.1 ppm in the coal-biomass system, and from 465.8 ppm to 395.0 ppm in the coal-ammonia-biomass system. Concurrently, SO<sub>2</sub> emissions exhibited a declining trend across both fuel combinations. The fuel burnout characteristics were improved. The particle size of fly ash decreased after the co-combustion of pulverized coal and ammonia, and the addition of biomass could improve this phenomenon, but it was more prone to ash and slagging. An investigation into the effect of air staging on pollutant emissions revealed that the coal/ammonia/biomass mixture achieved the lowest NO<sub>x</sub> emissions at a 20 % air staging ratio. This study establishes the feasibility of coal/ammonia/biomass co-combustion, supplying supporting data for reducing both pollutant and carbon emissions from coal-fired units.</div></div>","PeriodicalId":17287,"journal":{"name":"Journal of The Energy Institute","volume":"124 ","pages":"Article 102389"},"PeriodicalIF":6.2,"publicationDate":"2026-02-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145614631","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

Oxidation of n-heptane under CO2/O2: Quantum chemistry and SVUV-PIMS experiment CO2/O2下正庚烷的氧化：量子化学和SVUV-PIMS实验

IF 6.2 2区工程技术 Q2 ENERGY & FUELS

Journal of The Energy Institute

Pub Date : 2026-02-01 Epub Date: 2025-11-24 DOI: 10.1016/j.joei.2025.102398

Yongfeng Liu , Yuanchao Shao , Jiahao Zhang , Shengzhuo Yao , Zhandong Wang , Bin Guan , Zijian Zhou , Hua Sun

To investigate the oxidation of n-heptane (C₇H₁₆) under CO₂/O₂ atmosphere, an oxidation model (COO model) is developed using quantum chemistry and Synchrotron Vacuum Ultraviolet Photoionization Mass Spectrometry (SVUV-PIMS) technology. Electrostatic potential (ESP) and Fukui-function analyses identify reaction sites for CO₂ with OH, H, CH₃, and CH₂ radicals and reveal reaction pathways. Oxidation experiment of C₇H₁₆ under CO₂/O₂ atmosphere is conducted using a jet-stirred reactor (JSR) developed with SVUV-PIMS, and the oxidation products at an equivalence ratio of 2/3, temperature range of 700–1000 K, and 1 atm are quantitatively analyzed. The results show that the COO model is applicable for the oxidation of C₇H₁₆ under CO₂/O₂ atmosphere, with a maximum error of 8.9 % in the oxidation of C₇H₁₆. A total of 29 oxidation products are identified, with C₂H₄ having the highest peak molar fraction of 1.7 × 10⁻². The Negative Temperature Coefficient (NTC) region for C₇H₁₆ oxidation under CO₂/O₂ atmosphere is delayed by 125 K compared to O₂, with the maximum reaction rate occurring at 750 K. CO₂ primarily inhibits the formation of OH and other radicals before 800 K and also reacts minimally with radicals such as OH, H, CH₃, and CH₂, thereby delaying the NTC temperature region of C₇H₁₆. In the reaction pathways CO₂+H→CO + OH and CO₂+OH→CO + HO₂, the highest intermediate energies are 1.75 kcal/mol higher and 73.17 kcal/mol lower than the reactants, respectively. In the pathways CO₂+CH₃→CO + H₂O + CH and CO₂+CH₂→CH₂O + CO, the highest intermediate energies are 147.65 kcal/mol higher and 64.13 kcal/mol lower than the reactants.

为了研究正庚烷（C7H16）在CO2/O2气氛下的氧化反应，利用量子化学和同步加速器真空紫外光电离质谱（SVUV-PIMS）技术建立了氧化模型（COO模型）。静电电位（ESP）和Fukui-function分析确定了CO2与OH、H、CH3和CH2自由基的反应位点，揭示了反应途径。采用SVUV-PIMS研制的射流搅拌反应器（JSR）对C7H16在CO2/O2气氛下进行了氧化实验，并对当量比为2/3、温度范围为700-1000 K、1atm下的氧化产物进行了定量分析。结果表明，COO模型适用于C7H16在CO2/O2气氛下的氧化过程，C7H16氧化过程的最大误差为8.9%。共鉴定出29种氧化产物，其中C2H4的峰摩尔分数最高，为1.7 × 10−2。C7H16在CO2/O2气氛下氧化的负温度系数（NTC）区比O2延迟125 K，最大反应速率出现在750 K。在800 K之前，CO2主要抑制OH等自由基的形成，并且与OH、H、CH3、CH2等自由基的反应最小，从而延缓了C7H16的NTC温区。在CO2+H→CO +OH和CO2+OH→CO + HO2反应途径中，中间能最高分别比反应物高1.75 kcal/mol和低73.17 kcal/mol。在CO2+CH3→CO + H2O +CH和CO2+CH2→CH2O + CO两种反应途径中，中间能分别比反应物高147.65 kcal/mol和低64.13 kcal/mol。

{"title":"Oxidation of n-heptane under CO2/O2: Quantum chemistry and SVUV-PIMS experiment","authors":"Yongfeng Liu , Yuanchao Shao , Jiahao Zhang , Shengzhuo Yao , Zhandong Wang , Bin Guan , Zijian Zhou , Hua Sun","doi":"10.1016/j.joei.2025.102398","DOIUrl":"10.1016/j.joei.2025.102398","url":null,"abstract":"<div><div>To investigate the oxidation of n-heptane (C<sub>7</sub>H<sub>16</sub>) under CO<sub>2</sub>/O<sub>2</sub> atmosphere, an oxidation model (COO model) is developed using quantum chemistry and Synchrotron Vacuum Ultraviolet Photoionization Mass Spectrometry (SVUV-PIMS) technology. Electrostatic potential (ESP) and Fukui-function analyses identify reaction sites for CO<sub>2</sub> with OH, H, CH<sub>3</sub>, and CH<sub>2</sub> radicals and reveal reaction pathways. Oxidation experiment of C<sub>7</sub>H<sub>16</sub> under CO<sub>2</sub>/O<sub>2</sub> atmosphere is conducted using a jet-stirred reactor (JSR) developed with SVUV-PIMS, and the oxidation products at an equivalence ratio of 2/3, temperature range of 700–1000 K, and 1 atm are quantitatively analyzed. The results show that the COO model is applicable for the oxidation of C<sub>7</sub>H<sub>16</sub> under CO<sub>2</sub>/O<sub>2</sub> atmosphere, with a maximum error of 8.9 % in the oxidation of C<sub>7</sub>H<sub>16</sub>. A total of 29 oxidation products are identified, with C<sub>2</sub>H<sub>4</sub> having the highest peak molar fraction of 1.7 × 10<sup>−2</sup>. The Negative Temperature Coefficient (NTC) region for C<sub>7</sub>H<sub>16</sub> oxidation under CO<sub>2</sub>/O<sub>2</sub> atmosphere is delayed by 125 K compared to O<sub>2</sub>, with the maximum reaction rate occurring at 750 K. CO<sub>2</sub> primarily inhibits the formation of OH and other radicals before 800 K and also reacts minimally with radicals such as OH, H, CH<sub>3</sub>, and CH<sub>2</sub>, thereby delaying the NTC temperature region of C<sub>7</sub>H<sub>16</sub>. In the reaction pathways CO<sub>2</sub>+H→CO + OH and CO<sub>2</sub>+OH→CO + HO<sub>2</sub>, the highest intermediate energies are 1.75 kcal/mol higher and 73.17 kcal/mol lower than the reactants, respectively. In the pathways CO<sub>2</sub>+CH<sub>3</sub>→CO + H<sub>2</sub>O + CH and CO<sub>2</sub>+CH<sub>2</sub>→CH<sub>2</sub>O + CO, the highest intermediate energies are 147.65 kcal/mol higher and 64.13 kcal/mol lower than the reactants.</div></div>","PeriodicalId":17287,"journal":{"name":"Journal of The Energy Institute","volume":"124 ","pages":"Article 102398"},"PeriodicalIF":6.2,"publicationDate":"2026-02-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145614633","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