Journal of The Energy Institute最新文献

Effects of H2O on NH3 combustion in air: A reactive molecular dynamics study 水对空气中NH3燃烧的影响：反应性分子动力学研究

IF 5.6 2区工程技术

Journal of The Energy Institute Pub Date : 2025-06-18 DOI: 10.1016/j.joei.2025.102184

Tong Li , Jing Wang , Yingshan Hong , Yuqing Liu , Jianyong Zhu , Xi Zhuo Jiang

{"title":"Effects of H2O on NH3 combustion in air: A reactive molecular dynamics study","authors":"Tong Li , Jing Wang , Yingshan Hong , Yuqing Liu , Jianyong Zhu , Xi Zhuo Jiang","doi":"10.1016/j.joei.2025.102184","DOIUrl":"10.1016/j.joei.2025.102184","url":null,"abstract":"<div><div>Ammonia (NH<sub>3</sub>) emerges as a new clean energy alternative to fossil fuels, with incomplete combustion resulting in the formation of nitrogen oxides (NOx). The present study investigates the potential of water (H<sub>2</sub>O) to mitigate NOx emissions during the NH<sub>3</sub> combustion. Reactive force field molecular dynamics simulations are employed to systematically analyze the impact of H<sub>2</sub>O on NH<sub>3</sub> combustion in air, and the results are compared with the oxidation of NH<sub>3</sub> under dry air conditions. The research systematically analyzes the effects of H<sub>2</sub>O blending ratios on NH<sub>3</sub> consumption rates, intermediate species, and NOx formation, with a particular focus on the influence of H<sub>2</sub>O on the NOx formation pathways. Key findings reveal that the addition of H<sub>2</sub>O significantly enhances the oxidation rate of NH<sub>3</sub> in the temperature range of 2400–2800 K, while the promotional effect can be neglected at high temperatures. Optimal H<sub>2</sub>O/NH<sub>3</sub> blending ratios (0.5–0.75) effectively promote the generation of OH radicals, thereby accelerating the oxidation of NH<sub>3</sub>. Notably, the introduction of H<sub>2</sub>O initiates new nitrogen transformation pathways, modifying the NOx formation mechanism and influencing the NOx emissions. Detailed analysis indicates that the optimal H<sub>2</sub>O/NH<sub>3</sub> mixing ratios suppress the NOx emissions by inhibiting the HNO-to-NO conversion. This study provides theoretical support and scientific insights into the regulation of NOx emissions through H<sub>2</sub>O modulation in NH<sub>3</sub> combustion processes.</div></div>","PeriodicalId":17287,"journal":{"name":"Journal of The Energy Institute","volume":"121 ","pages":"Article 102184"},"PeriodicalIF":5.6,"publicationDate":"2025-06-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144312711","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

Steam reforming mechanism of methane using thermodynamics and molecular dynamics 甲烷蒸汽重整机理的热力学和分子动力学研究

IF 5.6 2区工程技术

Journal of The Energy Institute Pub Date : 2025-06-14 DOI: 10.1016/j.joei.2025.102181

Kejiang Li , Qingsong Zou , Jianliang Zhang , Chunhe Jiang , Zeng Liang

{"title":"Steam reforming mechanism of methane using thermodynamics and molecular dynamics","authors":"Kejiang Li , Qingsong Zou , Jianliang Zhang , Chunhe Jiang , Zeng Liang","doi":"10.1016/j.joei.2025.102181","DOIUrl":"10.1016/j.joei.2025.102181","url":null,"abstract":"<div><div>With the growing influence of the greenhouse effect, achieving carbon neutrality has become an urgent priority. Methane has garnered significant attention due to its characteristics as a greenhouse gas and high hydrogen content. Nickel-based catalysts are widely used for methane cracking, but carbon deposition significantly deactivates nickel, thereby hindering the future development of steam reforming of methane. This study investigates the effects of temperature, pressure, and feed ratio on reaction through thermodynamic calculations and molecular dynamics simulations. The results indicate the concentrations of target gases composed of hydrogen and carbon monoxide, as well as the carbon deposition amount, are inversely proportional to pressure and feed ratio. As the temperature increases, the target gas content rises, whereas carbon deposition decreases. According to the carbon resistance of the catalyst, it was proposed to choose low temperature and low pressure (1073K, 1atm) for high-performance catalyst, and high temperature and medium pressure (1200K, 5atm) for ordinary performance catalyst. Methane and water gradually remove hydrogen atoms, and the resulting intermediate product reacts to form CHO and then CO. At high temperatures, increasing the amount of water has a significant effect on reducing carbon deposition. By elucidating the reaction mechanism and quantifying carbon deposition, theoretical foundations are provided to promote industrial development.</div></div>","PeriodicalId":17287,"journal":{"name":"Journal of The Energy Institute","volume":"121 ","pages":"Article 102181"},"PeriodicalIF":5.6,"publicationDate":"2025-06-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144297626","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

Layered transition metal chalcogenides for the removal of elemental mercury from flue gas: a review 层状过渡金属硫属化物去除烟气中单质汞的研究进展

IF 5.6 2区工程技术

Journal of The Energy Institute Pub Date : 2025-06-14 DOI: 10.1016/j.joei.2025.102177

Siyuan Liu , Yanhua Zhang , Yijun Wu , Zheng Ji , Ruitao Zhang , Dan Zhang , Mei Ma , Min Li , Jiang Wu , Yang Ling

{"title":"Layered transition metal chalcogenides for the removal of elemental mercury from flue gas: a review","authors":"Siyuan Liu , Yanhua Zhang , Yijun Wu , Zheng Ji , Ruitao Zhang , Dan Zhang , Mei Ma , Min Li , Jiang Wu , Yang Ling","doi":"10.1016/j.joei.2025.102177","DOIUrl":"10.1016/j.joei.2025.102177","url":null,"abstract":"<div><div>Mercury and its compounds pose a significant threat to both ecological systems and human health due to their high toxicity and persistence in the environment. Controlling mercury emissions from flue gas, a major source of mercury pollutants, is considered a key task in ecological and environmental management and has garnered extensive research attention. Compared to traditional metal sulfide elemental mercury removal adsorbents, layered transition metal chalcogenides demonstrate superior performance in flue gas mercury removal due to their unique structure, which provides more abundant sulfur active sites. In this context, this study describes transition metal chalcogenides with layered structures used for flue gas mercury removal. In order to better utilize the structural advantages of layered transition metal chalcogenides, the modification methods of the adsorbents are discussed. Subsequently, the performance of the adsorbents for elemental mercury removal in complex flue gas environments was analyzed, along with a discussion of their recovery methods and regeneration performance. To further understand the underlying principles of elemental mercury removal by adsorbents, this article explores the mechanism of mercury removal from layered transition metal chalcogenide adsorbents based on experiments and machine learning to analyze possible reaction processes and adsorption pathways. However, overall, there are still areas for improvement in the study of elemental mercury removal by adsorbents of layered transition metal chalcogenide adsorbents. Therefore, this study presents several strategies to enhance their adsorption capacity for elemental mercury. This study serves as a reference for the design and development of adsorbents for elemental mercury removal using layered transition metal chalcogenides.</div></div>","PeriodicalId":17287,"journal":{"name":"Journal of The Energy Institute","volume":"121 ","pages":"Article 102177"},"PeriodicalIF":5.6,"publicationDate":"2025-06-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144312710","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

Insights into the reaction mechanisms and pathways of shale oil sludge hydrothermal liquefaction 页岩油泥热液液化反应机理及途径研究

IF 5.6 2区工程技术

Journal of The Energy Institute Pub Date : 2025-06-13 DOI: 10.1016/j.joei.2025.102178

Da Cui , Yaodong Xing , Shuang Wu , Bin Liu , Wei Wang , Jingru Bai , Ji Li , Qing Wang , Jinghui Zhang

{"title":"Insights into the reaction mechanisms and pathways of shale oil sludge hydrothermal liquefaction","authors":"Da Cui , Yaodong Xing , Shuang Wu , Bin Liu , Wei Wang , Jingru Bai , Ji Li , Qing Wang , Jinghui Zhang","doi":"10.1016/j.joei.2025.102178","DOIUrl":"10.1016/j.joei.2025.102178","url":null,"abstract":"<div><div>Shale oil sludge (SOS), composed of shale dust, wastewater, and residual shale oil, is an industrial waste that is notoriously difficult to treat. This investigation explores the potential of subcritical water processing as an innovative and sustainable treatment methodology for SOS. HTL experiments of SOS were conducted at various temperatures and reaction times. The results indicate that the reaction temperature increased from 240 °C to 300 °C, and the energy recovery rate (ER) of hydrothermal oil (HTO) increased from 55.52 % to 65.64 % at a sludge-to-water ratio of 1:5 and a reaction time of 60 min. Through characterization of SOS and products, we found that HTL breaks up the emulsification state of SOS and achieves dehydration and oil extraction of SOS. SOS gradually generated HTO, hydrochar, and water through depolymerization and demulsification. A total of 12 types of reactions that may occur in HTO during hydrothermal reaction were identified, such as depolymerization, aromatization, pyrolysis, hydration and others. Finally, the causal relationships between hydrothermal processing parameters and the resulting composition and structure of HTO are explained. The reaction pathways of HTO components and the hydrothermal reaction mechanism of SOS are also reported. This paper provides an important basis for the harmless use of SOS and other oily sludge as resources.</div></div>","PeriodicalId":17287,"journal":{"name":"Journal of The Energy Institute","volume":"121 ","pages":"Article 102178"},"PeriodicalIF":5.6,"publicationDate":"2025-06-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144281028","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

N2O formation pathways in swirl-stabilised NH3/CH4 and NH3/Biogas combustion 旋流稳定NH3/CH4和NH3/沼气燃烧中N2O的生成途径

IF 5.6 2区工程技术

Journal of The Energy Institute Pub Date : 2025-06-12 DOI: 10.1016/j.joei.2025.102176

Xu Zhao , Yongcai Zhang , Guo Ren Mong , Jong Boon Ooi , Keng Yinn Wong , Chun Kit Ang , Wei Hong Lim , Meng-Choung Chiong

{"title":"N2O formation pathways in swirl-stabilised NH3/CH4 and NH3/Biogas combustion","authors":"Xu Zhao , Yongcai Zhang , Guo Ren Mong , Jong Boon Ooi , Keng Yinn Wong , Chun Kit Ang , Wei Hong Lim , Meng-Choung Chiong","doi":"10.1016/j.joei.2025.102176","DOIUrl":"10.1016/j.joei.2025.102176","url":null,"abstract":"<div><div>This study examines the effects of inlet temperature and CO<sub>2</sub> dilution on the N<sub>2</sub>O formation mechanisms in NH<sub>3</sub>/CH<sub>4</sub> and NH<sub>3</sub>/biogas swirl combustion. Key reactions governing N<sub>2</sub>O kinetics include the formation pathways NH + NO ⇌ N<sub>2</sub>O + H and NNH + O ⇌ N<sub>2</sub>O + H, as well as the primary consumption pathway N<sub>2</sub>O + H ⇌ N<sub>2</sub> + OH. At a global equivalence ratio (<em>φ</em><sub><em>G</em></sub>) of 0.8, the introduction of CO<sub>2</sub> effectively suppresses N<sub>2</sub>O formation in NH<sub>3</sub> flames by reducing the concentrations of H, O, and OH radicals. In contrast, increasing the inlet temperature accelerates the N<sub>2</sub>O formation rate, enhancing its retention in the flame. Under fuel-rich conditions (<em>φ</em><sub><em>G</em></sub> = 1.1), CO<sub>2</sub> dilution generally reduces N<sub>2</sub>O emissions and exhibits a trend dependent on NH<sub>3</sub> blending levels and temperature, with elevated inlet temperatures consistently suppressing N<sub>2</sub>O formation. The findings indicate that effective control of N<sub>2</sub>O emissions can be achieved by optimizing the CO<sub>2</sub> dilution ratio and inlet temperature based on the ammonia blending ratio. The results contribute to the advancement of clean energy technologies by informing the design of low-emission fuel strategies involving ammonia and renewable fuel mixtures.</div></div>","PeriodicalId":17287,"journal":{"name":"Journal of The Energy Institute","volume":"121 ","pages":"Article 102176"},"PeriodicalIF":5.6,"publicationDate":"2025-06-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144291296","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 low-temperature NH3-SCR performance via acid-modified CuCeO catalysts with balanced redox and acidity 通过平衡氧化还原和酸性的酸修饰CuCeO催化剂提高低温NH3-SCR性能

IF 5.6 2区工程技术

Journal of The Energy Institute Pub Date : 2025-06-11 DOI: 10.1016/j.joei.2025.102179

Jiaxuan Liu , Bin Jia , Jiuhong Wei , Jun Liu , Xiaoqing Liu , Ying Wang , Yuqiong Zhao , Guoqiang Li , Guojie Zhang

{"title":"Enhanced low-temperature NH3-SCR performance via acid-modified CuCeO catalysts with balanced redox and acidity","authors":"Jiaxuan Liu , Bin Jia , Jiuhong Wei , Jun Liu , Xiaoqing Liu , Ying Wang , Yuqiong Zhao , Guoqiang Li , Guojie Zhang","doi":"10.1016/j.joei.2025.102179","DOIUrl":"10.1016/j.joei.2025.102179","url":null,"abstract":"<div><div>Nitrogen oxide (NO<sub>x</sub>) is one of the major sources of air pollution, and the development of efficient and stable catalysts for low-temperature selective catalytic reduction (SCR) of NO<sub>x</sub> is still a major challenge. In this paper, we prepared acid-treated CuCeO catalysts by precipitation and wet impregnation methods. The experimental results showed that although the sulfuric acid treatment led to a decrease in the number of oxygen vacancies of the CuCeO catalyst and hindered the adsorption of NO, the quantity and intensity of the Brønsted acid sites of the catalyst were significantly enhanced, and the balance between the redox capacity and the acidity allowed the H<sub>2</sub>SO<sub>4</sub>-treated CuCeO catalysts to exhibit a 100 % NO<sub>x</sub> conversion and N<sub>2</sub> selectivity. Meanwhile, sulfuric acid treatment attenuated the peroxidation of NH<sub>3</sub>, resulting in improved both high-temperature catalytic performance and selectivity. Additionally, in situ DRIFTS results showed that the H<sub>2</sub>SO<sub>4</sub>-treated CuCeO catalysts primarily operated via the L-H mechanism at lower temperatures, whereas at higher temperatures, they followed the E-R mechanism. This research offers both experimental findings and theoretical perspectives that contribute to the advancement of high-performance CuCe-based catalysts for NH<sub>3</sub>-SCR applications.</div></div>","PeriodicalId":17287,"journal":{"name":"Journal of The Energy Institute","volume":"121 ","pages":"Article 102179"},"PeriodicalIF":5.6,"publicationDate":"2025-06-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144281029","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

Heavy metals migration and ash slagging/fouling behaviors during co-combustion of coal slime and biomass 煤泥与生物质共燃过程中重金属迁移与灰结渣/结垢行为

IF 5.6 2区工程技术

Journal of The Energy Institute Pub Date : 2025-06-06 DOI: 10.1016/j.joei.2025.102169

Xiufen Ma , Xianjun Xing , Peiyong Ma

{"title":"Heavy metals migration and ash slagging/fouling behaviors during co-combustion of coal slime and biomass","authors":"Xiufen Ma , Xianjun Xing , Peiyong Ma","doi":"10.1016/j.joei.2025.102169","DOIUrl":"10.1016/j.joei.2025.102169","url":null,"abstract":"<div><div>This study investigated the migration characteristics of heavy metals (Cr, Mn, Ni, Cu, Zn, As, Cd, and Pb) during the co-combustion of coal slime (CS) and biomass. The effects of combustion temperature, blending ratio, biomass types, and mineral additives on heavy metal behavior were examined in detail. Additionally, the risk of ash slagging and fouling was predicted, and the influence relationship of various factors on heavy metal retention rates was studied by correlation analysis. Data indicated that the co-combustion of CS and moso bamboo (MB) at high temperatures (≥1050 °C) facilitated the enrichment of Cr, Ni, and As in bottom ash but hindered that of Zn, Pb, and Cd. Interactions among heavy metal migration were observed during CS-MB co-combustion, with all different ratio samples promoting the enrichment of Cr, Ni, As, and Cd in bottom ash. A CS: MB ratio of 5:5 was recommended based on heavy metal retention rates and interaction effects. The influence of biomass types on the migration of Ni, Cu, Zn, As, Cd, and Pb was insignificant. Adding Fe<sub>2</sub>O<sub>3</sub> or CaO minerals effectively increased the Cr retention rate, and 10 % Fe<sub>2</sub>O<sub>3</sub> or CaO addition was recommended to enrich heavy metals in bottom ash. CS-MB co-combustion effectively mitigated the ash slagging and fouling risks associated with MB combustion, and an MB ratio of less than 70 % was recommended to avoid ash slagging and fouling. Moreover, the combustion temperature exhibited an extremely strong negative correlation with Zn and Pb retention rates.</div></div>","PeriodicalId":17287,"journal":{"name":"Journal of The Energy Institute","volume":"121 ","pages":"Article 102169"},"PeriodicalIF":5.6,"publicationDate":"2025-06-06","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144239784","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

Impact of ammonia addition on soot particle microstructure and formation in propane diffusion flames 氨的加入对丙烷扩散火焰中烟尘颗粒微观结构及形成的影响

IF 5.6 2区工程技术

Journal of The Energy Institute Pub Date : 2025-06-06 DOI: 10.1016/j.joei.2025.102172

Yang Hua , Yiming Zhang , Liwei Xia , Yuan Zhuang , Bochao Xu , Mengyao Qi

{"title":"Impact of ammonia addition on soot particle microstructure and formation in propane diffusion flames","authors":"Yang Hua , Yiming Zhang , Liwei Xia , Yuan Zhuang , Bochao Xu , Mengyao Qi","doi":"10.1016/j.joei.2025.102172","DOIUrl":"10.1016/j.joei.2025.102172","url":null,"abstract":"<div><div>Ammonia (NH<sub>3</sub>), as a zero-carbon fuel, has drawbacks such as difficult ignition, slow combustion, and poor stability, limiting its application as a single fuel. The combined combustion of NH<sub>3</sub> and hydrocarbons is a feasible solution, but inevitably brings soot particle emission problem. This work investigated the effects of NH<sub>3</sub> addition to propane (C<sub>3</sub>H<sub>8</sub>) on soot particle microstructure and formation experimentally and numerically. The results showed that NH<sub>3</sub> addition shift the flame orange-yellow region downstream, reduces its area fraction, and delays the initial soot formation. The soot concentration decreases with increasing NH<sub>3</sub> blending ratio. Adding 20 %, 40 % and 60 % NH<sub>3</sub> decreases the peak mean size of primary particles by 3.78 %, 8.17 % and 23.61 %, respectively. At the nanoscale, NH<sub>3</sub>-blended flames exhibit a reduced mean fringe length, increased fringe tortuosity and inter-fringe spacing compared to pure C<sub>3</sub>H<sub>8</sub>, indicating a lower graphitization degree and enhanced oxidation reactivity. Molecular dynamics indicated that addition of NH<sub>3</sub> delays initial carbon ring formation, reduces PAHs size, and forms N-PAHs hindering collision growth of PAHs. Kinetic analysis revealed that NH<sub>3</sub> addition triggers C-N cross-reactions to form CH<sub>2</sub>NH<sub>2</sub> and CH<sub>2</sub>NH, thereby reducing the key intermediate C<sub>3</sub>H<sub>3</sub> for A1 formation, and inhibiting C<sub>2</sub>H<sub>2</sub> formation, thus hindering both C<sub>2</sub>H<sub>2</sub>→C<sub>3</sub>H<sub>3</sub>→A1 pathway and HACA mechanism to inhibit large PAHs formation.</div></div>","PeriodicalId":17287,"journal":{"name":"Journal of The Energy Institute","volume":"121 ","pages":"Article 102172"},"PeriodicalIF":5.6,"publicationDate":"2025-06-06","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144239783","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

Upgrading of sisal-derived bio-oil employing platinum-supported hierarchical HZSM-5 derived from coal fly ash silica 利用煤粉煤灰硅基衍生的铂负载分级HZSM-5对剑麻生物油进行升级改造

IF 5.6 2区工程技术

Journal of The Energy Institute Pub Date : 2025-06-06 DOI: 10.1016/j.joei.2025.102171

Erlan A. Pacheco , Sirlene B. Lima , Guilherme S. Barbosa , George M. de Lima , Edinilson R. Camelo , Cesário F. das Virgens , Carlos Augusto de M. Pires , Maria do Carmo Rangel

{"title":"Upgrading of sisal-derived bio-oil employing platinum-supported hierarchical HZSM-5 derived from coal fly ash silica","authors":"Erlan A. Pacheco , Sirlene B. Lima , Guilherme S. Barbosa , George M. de Lima , Edinilson R. Camelo , Cesário F. das Virgens , Carlos Augusto de M. Pires , Maria do Carmo Rangel","doi":"10.1016/j.joei.2025.102171","DOIUrl":"10.1016/j.joei.2025.102171","url":null,"abstract":"<div><div>This study evaluates sisal residue-derived bio-oil hydrodeoxygenation (HDO) using platinum-impregnated, hierarchically structured HZSM-5 zeolites synthesized from coal fly ash silica. The silica extraction achieved a 35 wt% yield with 97 % purity. Zeolites were hierarchized via desilication (0.05–0.20 M NaOH) and loaded with 1 wt% Pt. The HZ05Pt catalyst (moderate desilication) exhibited superior performance, increasing hydrocarbon yield to 68.8 %, with enhanced selectivity for C<sub>9</sub>–C<sub>12</sub> (15.89 %) and C<sub>13</sub>–C<sub>20</sub> (30.86 %) fractions, and reducing oxygen content to 14.26 wt% (O/C = 0.15). In contrast, excessive desilication (HZ20Pt) led to reduced activity and higher oxygen retention (25.03 wt%), indicating structural degradation. Nitrogen-containing compounds remained largely unconverted, suggesting limited hydrodenitrogenation. The results highlight the synergistic effect of moderate hierarchization and platinum incorporation in producing stable, energy-dense biofuels. Additionally, using coal fly ash as a silica source reinforces the process's sustainability and circular economy potential.</div></div>","PeriodicalId":17287,"journal":{"name":"Journal of The Energy Institute","volume":"121 ","pages":"Article 102171"},"PeriodicalIF":5.6,"publicationDate":"2025-06-06","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144312712","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

High-value monocyclic aromatic hydrocarbons produced by a catalytic pyrolysis of oil shale 油页岩催化热解制备高价值单环芳烃

IF 5.6 2区工程技术

Journal of The Energy Institute Pub Date : 2025-06-06 DOI: 10.1016/j.joei.2025.102170

Zhaoyang Ren , Jian-Zheng Su , Junjie Wang , Xiang-Long Meng , Guangwei Geng , Guojing Xu , Zhenpeng Wang , Penglei Chen

{"title":"High-value monocyclic aromatic hydrocarbons produced by a catalytic pyrolysis of oil shale","authors":"Zhaoyang Ren , Jian-Zheng Su , Junjie Wang , Xiang-Long Meng , Guangwei Geng , Guojing Xu , Zhenpeng Wang , Penglei Chen","doi":"10.1016/j.joei.2025.102170","DOIUrl":"10.1016/j.joei.2025.102170","url":null,"abstract":"<div><div>The expeditious exhaustion of conventional fossil resources of limited reserves strongly calls for new routes for the manufacture of monoaromatic hydrocarbons (MAHs), especially methyl-benzenes such as benzene, toluene, xylene (BTX), which are amongst the top 15 commodity petrochemicals and account for 30% of petrochemical products. Taking sulfated <em>γ</em>-alumina catalyst as a proof-of-concept example, we herein report our efforts <em>via</em> a catalyst-assisted pyrolysis of oil shale (OS), which is strategic unconventional fossil resources of huge reserves. We find that upon introduction of sulfated <em>γ</em>-alumina into OS pyrolyses, the MAHs proportion in the as-produced petroleum-like fuels (PLFs) increases by 275.0%, where the content of methyl-benzenes, BTX and xylene increases by 232.1%, 443.8% and 1220.0%, respectively. Besides, the catalyst could promote evident improvements in pyrolyzates quality, where the respective content of heteroatomic compounds and hydrocarbons displays 31.5% decrease and 51.2% increase, and the respective proportion of short-chain and long-chain hydrocarbons exhibits 82.4% rise and 81.0% drop. Moreover, the content of pyrroles and thiophenes, which are usually undesired species for PLFs, but are valuable heterocyclic aromatics widely used as feedstocks in numerous important industrial/scientific fields, is enriched by 253.8% and 75.9%, respectively. It is unveiled that the concentration and strength of the Brønsted acids of our sulfated <em>γ</em>-alumina are respectively larger and stronger than those of its Lewis acids such that their collaborate-competition actions confer it with fascinating catalytic attributes. Our work likely launches new opportunities for manufacturing MAHs, and it might provide guidance for designing sophisticated catalyst of much more satisfactory performances.</div></div>","PeriodicalId":17287,"journal":{"name":"Journal of The Energy Institute","volume":"121 ","pages":"Article 102170"},"PeriodicalIF":5.6,"publicationDate":"2025-06-06","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144253584","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