NH3-based reduction is widely employed for NO control in current research. Compared with NH3, H2 has stronger reductive activity, and introducing H2 for co-denitrification with NH3 is a highly promising strategy. However, the optimal NH3/H2 mixing ratio for NO reduction and the influence of alkali metals on this process remain unclear. Therefore, it is necessary to investigate the optimal NH3/H2 mixing ratio and the effects of alkali metal salts in different occurrence forms (NaCl, Na2CO3, NaAc, Na2SO4) on NO formation and reduction. Based on combustion experiments and reaction kinetics analysis, the effects of alkali metals on NO reduction are explored in this study. The results indicate that H2 addition promotes the formation of NH2 radicals from NH3, thereby significantly enhancing NO reduction. The optimal NO reduction effect (14.14 % improvement) is achieved at an NH3/H2 mixing ratio of 20 %/80 %. Nevertheless, alkali metal salts released during high-alkali coal combustion inhibit the NO reduction efficiency of the NH3/H2 mixture: The addition of NaCl reduces the denitrification efficiency by an average of 10.42 % by consuming H and OH free radicals. Na2CO3 and NaAc accelerate the conversion of NO2 and HNO to NO at medium-low temperatures, and promote NO formation through N2- and HNO-related reactions at high temperatures, reducing the denitrification efficiency by 8.84 % and 8.91 % respectively. Due to its stable chemical properties, the inhibitory effect of Na2SO4 on denitrification efficiency is negligible (only 0.76 %).
{"title":"Effect of alkali metals on NO reduction by NH3/H2 mixtures during high-alkali coal combustion","authors":"Xiayu Zhu , Jing Zhao , Minghui Xu , Jingde Zhao , Heng Cheng , Xiaolin Wei","doi":"10.1016/j.joei.2026.102461","DOIUrl":"10.1016/j.joei.2026.102461","url":null,"abstract":"<div><div>NH<sub>3</sub>-based reduction is widely employed for NO control in current research. Compared with NH<sub>3</sub>, H<sub>2</sub> has stronger reductive activity, and introducing H<sub>2</sub> for co-denitrification with NH<sub>3</sub> is a highly promising strategy. However, the optimal NH<sub>3</sub>/H<sub>2</sub> mixing ratio for NO reduction and the influence of alkali metals on this process remain unclear. Therefore, it is necessary to investigate the optimal NH<sub>3</sub>/H<sub>2</sub> mixing ratio and the effects of alkali metal salts in different occurrence forms (NaCl, Na<sub>2</sub>CO<sub>3</sub>, NaAc, Na<sub>2</sub>SO<sub>4</sub>) on NO formation and reduction. Based on combustion experiments and reaction kinetics analysis, the effects of alkali metals on NO reduction are explored in this study. The results indicate that H<sub>2</sub> addition promotes the formation of NH<sub>2</sub> radicals from NH<sub>3</sub>, thereby significantly enhancing NO reduction. The optimal NO reduction effect (14.14 % improvement) is achieved at an NH<sub>3</sub>/H<sub>2</sub> mixing ratio of 20 %/80 %. Nevertheless, alkali metal salts released during high-alkali coal combustion inhibit the NO reduction efficiency of the NH<sub>3</sub>/H<sub>2</sub> mixture: The addition of NaCl reduces the denitrification efficiency by an average of 10.42 % by consuming H and OH free radicals. Na<sub>2</sub>CO<sub>3</sub> and NaAc accelerate the conversion of NO<sub>2</sub> and HNO to NO at medium-low temperatures, and promote NO formation through N<sub>2</sub>- and HNO-related reactions at high temperatures, reducing the denitrification efficiency by 8.84 % and 8.91 % respectively. Due to its stable chemical properties, the inhibitory effect of Na<sub>2</sub>SO<sub>4</sub> on denitrification efficiency is negligible (only 0.76 %).</div></div>","PeriodicalId":17287,"journal":{"name":"Journal of The Energy Institute","volume":"125 ","pages":"Article 102461"},"PeriodicalIF":6.2,"publicationDate":"2026-04-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146188621","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2026-04-01Epub Date: 2026-01-27DOI: 10.1016/j.joei.2026.102457
Haiqing Sui , Xiang Wang , Wei Cheng , Xinran Wang , Lijun Wang , Zi Ming , Enxiang Ju , Haiping Yang , Hanping Chen
This study proposes an innovative methodology for utilizing the by-products of bio-oils and biochar, generated from biomass carbonization processes at rural power plants in China, to produce bio-slurry. This approach addresses several challenges associated with the standalone application of bio-oils and biochar, drawing significant attention in the field. The char content in the bio-slurry was varied from 0 to 20 wt%, and the hydrogen production during steam gasification of the bio-slurry was investigated. At 500 °C, the yields of H2, CO, and CH4 were 28.44, 70.94, and 41.58 mL/g, respectively. Increasing the temperature markedly enhanced gas production, and at 900 °C the H2, CH4, and CO yields rose to 215.60, 138.88, and 185.25 mL/g, respectively. In addition, steam was found to promote the production of CO and H2, whereas a CO2 atmosphere inhibited the generation of H2 and CH4 at 900 °C. Results showed that the activation energy during the CO2 gasification of the bio-slurry was the lowest under a rapid heating rate, and 800 °C was found to be the optimal pyrolysis temperature for producing biochar with a well-developed pore structure. The experimental gasification of bio-slurry provides quantitative gas-yield data and thermal boundary conditions, which are subsequently used to validate a reduced surrogate kinetic model for predicting bio-slurry gasification behavior under high-temperature conditions. A mixture of toluene and naphthalene was selected as a model compound for bio-oils. The high-temperature steam gasification mechanism of bio-oils was modeled using Chemkin software, leading to the development of a reaction mechanism comprising 26 species and 49 reaction equations. In addition, potential industrial challenges (slurry viscosity, heat-transfer performance, and feeding stability) are considered important considerations for future large-scale applications.
{"title":"Integrated study on gasification of bio-slurry: Experimental validation and computational modeling","authors":"Haiqing Sui , Xiang Wang , Wei Cheng , Xinran Wang , Lijun Wang , Zi Ming , Enxiang Ju , Haiping Yang , Hanping Chen","doi":"10.1016/j.joei.2026.102457","DOIUrl":"10.1016/j.joei.2026.102457","url":null,"abstract":"<div><div>This study proposes an innovative methodology for utilizing the by-products of bio-oils and biochar, generated from biomass carbonization processes at rural power plants in China, to produce bio-slurry. This approach addresses several challenges associated with the standalone application of bio-oils and biochar, drawing significant attention in the field. The char content in the bio-slurry was varied from 0 to 20 wt%, and the hydrogen production during steam gasification of the bio-slurry was investigated. At 500 °C, the yields of H<sub>2</sub>, CO, and CH<sub>4</sub> were 28.44, 70.94, and 41.58 mL/g, respectively. Increasing the temperature markedly enhanced gas production, and at 900 °C the H<sub>2</sub>, CH<sub>4</sub>, and CO yields rose to 215.60, 138.88, and 185.25 mL/g, respectively. In addition, steam was found to promote the production of CO and H<sub>2</sub>, whereas a CO<sub>2</sub> atmosphere inhibited the generation of H<sub>2</sub> and CH<sub>4</sub> at 900 °C. Results showed that the activation energy during the CO<sub>2</sub> gasification of the bio-slurry was the lowest under a rapid heating rate, and 800 °C was found to be the optimal pyrolysis temperature for producing biochar with a well-developed pore structure. The experimental gasification of bio-slurry provides quantitative gas-yield data and thermal boundary conditions, which are subsequently used to validate a reduced surrogate kinetic model for predicting bio-slurry gasification behavior under high-temperature conditions. A mixture of toluene and naphthalene was selected as a model compound for bio-oils. The high-temperature steam gasification mechanism of bio-oils was modeled using Chemkin software, leading to the development of a reaction mechanism comprising 26 species and 49 reaction equations. In addition, potential industrial challenges (slurry viscosity, heat-transfer performance, and feeding stability) are considered important considerations for future large-scale applications.</div></div>","PeriodicalId":17287,"journal":{"name":"Journal of The Energy Institute","volume":"125 ","pages":"Article 102457"},"PeriodicalIF":6.2,"publicationDate":"2026-04-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146188703","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}
From both economic and environmental perspectives, the high-value utilization of waste plastics is crucial, particularly through their conversion into carbon nanomaterials via thermochemical technologies. Currently, bimetallic catalysts are widely employed in the pyrolysis of waste plastics to produce carbon nanotubes (CNTs), with Ni-Fe catalysts being the most representative. In this work, to investigate whether increasing the Ni content in Ni-Fe catalysts significantly promotes CNTs growth, waste polyethylene (PE) was used as the carbon source precursor. Three binary metal catalysts with different Ni/Fe molar ratios were prepared by adjusting the Ni/Fe ratio. CNTs were synthesized via one-stage chemical vapor deposition (CVD), and the optimal ratio was selected. Finally, the optimal pyrolysis temperature was explored. The results indicated that Ni/Fe ratios of 1:1 and 3:1 were detrimental to CNTs growth. When the Ni/Fe ratio was 2:1, the bimetallic synergistic effect was optimal, making it more suitable for preparing CNTs with superior morphology and quality. Furthermore, comparative analysis confirms 800 °C as the optimal pyrolysis temperature for CNTs synthesis. The coexistence of Ni-Fe alloy and Fe3C within the catalyst, both acting as active sites, played a crucial synergistic catalytic role in the CNTs growth process. The presence of Ni-Fe alloy enveloping both the base and top ends of the CNTs revealed that their formation follows two concurrent growth modes. This work provided valuable insights for CNTs synthesis via waste plastic pyrolysis and offers novel perspectives on the regulating of bimetallic catalysts.
{"title":"Controlling the Ni/Fe molar ratio and temperature to convert waste plastics into high-quality carbon nanotubes","authors":"Xing Zhang, Liang Yan, Hui Zhou, Bingbing Qiu, Ruiming Fang, Huaqiang Chu","doi":"10.1016/j.joei.2026.102464","DOIUrl":"10.1016/j.joei.2026.102464","url":null,"abstract":"<div><div>From both economic and environmental perspectives, the high-value utilization of waste plastics is crucial, particularly through their conversion into carbon nanomaterials via thermochemical technologies. Currently, bimetallic catalysts are widely employed in the pyrolysis of waste plastics to produce carbon nanotubes (CNTs), with Ni-Fe catalysts being the most representative. In this work, to investigate whether increasing the Ni content in Ni-Fe catalysts significantly promotes CNTs growth, waste polyethylene (PE) was used as the carbon source precursor. Three binary metal catalysts with different Ni/Fe molar ratios were prepared by adjusting the Ni/Fe ratio. CNTs were synthesized via one-stage chemical vapor deposition (CVD), and the optimal ratio was selected. Finally, the optimal pyrolysis temperature was explored. The results indicated that Ni/Fe ratios of 1:1 and 3:1 were detrimental to CNTs growth. When the Ni/Fe ratio was 2:1, the bimetallic synergistic effect was optimal, making it more suitable for preparing CNTs with superior morphology and quality. Furthermore, comparative analysis confirms 800 °C as the optimal pyrolysis temperature for CNTs synthesis. The coexistence of Ni-Fe alloy and Fe<sub>3</sub>C within the catalyst, both acting as active sites, played a crucial synergistic catalytic role in the CNTs growth process. The presence of Ni-Fe alloy enveloping both the base and top ends of the CNTs revealed that their formation follows two concurrent growth modes. This work provided valuable insights for CNTs synthesis via waste plastic pyrolysis and offers novel perspectives on the regulating of bimetallic catalysts.</div></div>","PeriodicalId":17287,"journal":{"name":"Journal of The Energy Institute","volume":"125 ","pages":"Article 102464"},"PeriodicalIF":6.2,"publicationDate":"2026-04-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146188706","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2026-04-01Epub Date: 2026-01-06DOI: 10.1016/j.joei.2026.102446
Shuman Guo , Chunjian Zhou , Dong Liu , Jiaqi Wang , Chen Hong , Lijun Wang , Haichao Liu , Yuguo Gao , Nannan Zhang , Zhenzhong Yang
Ammonia (NH3) serves as an alternative fuel for internal combustion engines with advantages of high energy density and zero carbon emission, yet it suffers from low combustion reactivity. Blending it with dimethyl ether (DME)—a fuel with high reactivity—can effectively mitigate the defects of difficult ignition and slow combustion rate. During the combustion of NH3/DME blended fuel, increasing oxygen concentration improves the combustion performance of the mixture through multiple pathways and significantly enhances its laminar burning velocity (LBV). In this study, constant volume combustion bomb experiments combined with simulation methods were employed to investigate the effects of oxygen enrichment coefficient ( = 0.21–0.35) and DME blending ratio ( = 0–0.8) on the laminar combustion characteristics of NH3/DME mixtures, under the conditions of 298 K and 0.2 MPa. The results indicate that, the LBV, adiabatic flame temperature (AFT) of the mixture, and the concentrations of O and OH radicals in chain reactions increase with the rise of and . At = 0.35, as increases from 0 to 0.8, the LBV increases from 29.31 cm/s to 88.22 cm/s, representing an increase of 2.01 times. The chemical reaction sensitivity coefficient decreases with the increases in and , and the elementary reaction exerting the most significant impact on laminar burning velocity is identified as H + O2 = O + OH. Specifically, at = 0.6, the chemical reaction sensitivity coefficient drops from 1.0 at = 0.21 to 0.83 at = 0.35. During the combustion of NH3/DME, NO is the main emitted nitrogen oxide, and its formation rate shows a significant upward trend with the increase of and .
{"title":"Study on laminar combustion characteristics of NH3/DME blended fuel under different oxygen enrichment coefficients","authors":"Shuman Guo , Chunjian Zhou , Dong Liu , Jiaqi Wang , Chen Hong , Lijun Wang , Haichao Liu , Yuguo Gao , Nannan Zhang , Zhenzhong Yang","doi":"10.1016/j.joei.2026.102446","DOIUrl":"10.1016/j.joei.2026.102446","url":null,"abstract":"<div><div>Ammonia (NH<sub>3</sub>) serves as an alternative fuel for internal combustion engines with advantages of high energy density and zero carbon emission, yet it suffers from low combustion reactivity. Blending it with dimethyl ether (DME)—a fuel with high reactivity—can effectively mitigate the defects of difficult ignition and slow combustion rate. During the combustion of NH<sub>3</sub>/DME blended fuel, increasing oxygen concentration improves the combustion performance of the mixture through multiple pathways and significantly enhances its laminar burning velocity (LBV). In this study, constant volume combustion bomb experiments combined with simulation methods were employed to investigate the effects of oxygen enrichment coefficient (<span><math><mrow><mi>Ω</mi></mrow></math></span> = 0.21–0.35) and DME blending ratio (<span><math><mrow><msub><mi>X</mi><mtext>DME</mtext></msub></mrow></math></span> = 0–0.8) on the laminar combustion characteristics of NH<sub>3</sub>/DME mixtures, under the conditions of 298 K and 0.2 MPa. The results indicate that, the LBV, adiabatic flame temperature (AFT) of the mixture, and the concentrations of O and OH radicals in chain reactions increase with the rise of <span><math><mrow><mi>Ω</mi></mrow></math></span> and <span><math><mrow><msub><mi>X</mi><mtext>DME</mtext></msub></mrow></math></span>. At <span><math><mrow><mi>Ω</mi></mrow></math></span> = 0.35, as <span><math><mrow><msub><mi>X</mi><mtext>DME</mtext></msub></mrow></math></span> increases from 0 to 0.8, the LBV increases from 29.31 cm/s to 88.22 cm/s, representing an increase of 2.01 times. The chemical reaction sensitivity coefficient decreases with the increases in <span><math><mrow><mi>Ω</mi></mrow></math></span> and <span><math><mrow><msub><mi>X</mi><mtext>DME</mtext></msub></mrow></math></span>, and the elementary reaction exerting the most significant impact on laminar burning velocity is identified as H + O<sub>2</sub> = O + OH. Specifically, at <span><math><mrow><msub><mi>X</mi><mtext>DME</mtext></msub></mrow></math></span> = 0.6, the chemical reaction sensitivity coefficient drops from 1.0 at <span><math><mrow><mi>Ω</mi></mrow></math></span> = 0.21 to 0.83 at <span><math><mrow><mi>Ω</mi></mrow></math></span> = 0.35. During the combustion of NH<sub>3</sub>/DME, NO is the main emitted nitrogen oxide, and its formation rate shows a significant upward trend with the increase of <span><math><mrow><mi>Ω</mi></mrow></math></span> and <span><math><mrow><msub><mi>X</mi><mtext>DME</mtext></msub></mrow></math></span>.</div></div>","PeriodicalId":17287,"journal":{"name":"Journal of The Energy Institute","volume":"125 ","pages":"Article 102446"},"PeriodicalIF":6.2,"publicationDate":"2026-04-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145926937","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}
In response to the dual challenges of the lack of green resource utilization technologies for a large amount of waste insulating oil in power field scenes and the growing demand for hydrogen energy, this paper proposes a technology for hydrogen production from waste insulating oil based on DBD plasma. Taking Karamay 25# waste transformer insulating oil as the research object, through 1.5g sample-scale experiments combined with mass loss calculation, gas chromatography detection, and gas chromatography-mass spectrometry (GC-MS) full-component analysis, it systematically explores the influence of different experimental parameters on plasma degradation and hydrogen production characteristics, and studies the mass change characteristics of waste insulating oil during plasma degradation and the hydrogen production change characteristics under different experimental parameters. The research results show that under an argon atmosphere, the content of H2 in the gas products from hydrogen production by plasma treatment of waste insulating oil accounts for about 90 %; the reaction process involves chemical transformations such as cracking and dehydrogenation of hydrocarbons (e.g., C20H42). The input power (50–70W) and discharge voltage (15–19 kV) are positively correlated with hydrogen yield, while the discharge gap (8–12 mm) is negatively correlated with the yield. Reducing the reactor diameter (6–10 cm) and increasing the gas flow rate (100–300 mL/min) can significantly improve hydrogen production efficiency. Theoretical analysis shows that the theoretical H2 conversion rate of hydrocarbons represented by C20H42 after plasma cracking can reach 72 %. In the gas products, argon (background gas) accounts for about 90.12 %, and the rest are high-value components such as H2 (7.5 %) and CO (0.21 %). This study provides key experimental data and theoretical support for the application of DBD plasma technology in resource utilization of waste insulating oil for hydrogen production, and is of great significance for alleviating resource shortage and environmental pollution.
{"title":"Hydrogen production from waste insulating oil based on DBD plasma (laboratory scale)","authors":"Guozhi Zhang, Yihang Yao, Wenxiang Wang, Xiaoxing Zhang","doi":"10.1016/j.joei.2025.102280","DOIUrl":"10.1016/j.joei.2025.102280","url":null,"abstract":"<div><div>In response to the dual challenges of the lack of green resource utilization technologies for a large amount of waste insulating oil in power field scenes and the growing demand for hydrogen energy, this paper proposes a technology for hydrogen production from waste insulating oil based on DBD plasma. Taking Karamay 25# waste transformer insulating oil as the research object, through 1.5g sample-scale experiments combined with mass loss calculation, gas chromatography detection, and gas chromatography-mass spectrometry (GC-MS) full-component analysis, it systematically explores the influence of different experimental parameters on plasma degradation and hydrogen production characteristics, and studies the mass change characteristics of waste insulating oil during plasma degradation and the hydrogen production change characteristics under different experimental parameters. The research results show that under an argon atmosphere, the content of H<sub>2</sub> in the gas products from hydrogen production by plasma treatment of waste insulating oil accounts for about 90 %; the reaction process involves chemical transformations such as cracking and dehydrogenation of hydrocarbons (e.g., C<sub>20</sub>H<sub>42</sub>). The input power (50–70W) and discharge voltage (15–19 kV) are positively correlated with hydrogen yield, while the discharge gap (8–12 mm) is negatively correlated with the yield. Reducing the reactor diameter (6–10 cm) and increasing the gas flow rate (100–300 mL/min) can significantly improve hydrogen production efficiency. Theoretical analysis shows that the theoretical H<sub>2</sub> conversion rate of hydrocarbons represented by C<sub>20</sub>H<sub>42</sub> after plasma cracking can reach 72 %. In the gas products, argon (background gas) accounts for about 90.12 %, and the rest are high-value components such as H<sub>2</sub> (7.5 %) and CO (0.21 %). This study provides key experimental data and theoretical support for the application of DBD plasma technology in resource utilization of waste insulating oil for hydrogen production, and is of great significance for alleviating resource shortage and environmental pollution.</div></div>","PeriodicalId":17287,"journal":{"name":"Journal of The Energy Institute","volume":"125 ","pages":"Article 102280"},"PeriodicalIF":6.2,"publicationDate":"2026-04-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145978031","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2026-04-01Epub Date: 2026-01-28DOI: 10.1016/j.joei.2026.102467
Qinlong Hu, Haoyang Lou, Zhuqing Niu, Jiankai Zhang, Xinjia Wang, Hui Jin, Zhongming Bu, Guoneng Li, Yuanjun Tang, Chao Ye
This study systematically explores nickel-based HZSM-5 zeolite activated by NaOH treatment in different atmospheres (air and CO2), revealing the intricate synergistic mechanisms between structure, acidity, and metal active sites during the catalytic cracking of toluene. The research found that the pore structure and acid site distribution of the catalyst can be directionally tuned through the choice of atmosphere: air activation primarily expands mesopores and optimizes mass transfer, while CO2 activation finely tunes the acid sites, significantly enhancing the weak and medium-strength acid sites, thereby constructing a rich reactive interface for the adsorption and initial activation of toluene. In the reaction pathway, a significant synergistic effect between the metal and the support was observed: nickel species were reduced to highly dispersed nanoparticles, serving as the core sites for activating C-H and C-C bonds, which cooperated with the acidic centers of the zeolite to promote the cleavage of toluene molecules and the opening of the benzene ring, ultimately converting them into small molecule synthesis gas. Under conditions of 7% nickel loading and CO2 activation, the maximum toluene conversion rate reached 78.92%. The flow-mass transfer-reaction coupling model constructed using COMSOL successfully replicated the experimental trends (simulation efficiency 79%) and clarified that temperature and feed flow rate are key operational parameters affecting the cracking behavior. From the perspectives of "structure-acidity synergy" and "metal-support interaction," this study deepens the understanding of the micro-mechanism of toluene catalytic cracking, providing a theoretical basis for the rational design of catalysts and process optimization.
{"title":"A combined experimental and simulation study on toluene cracking: synergistic strategy of Ni loading, alkali treatment, and atmosphere activation on HZSM-5 zeolite","authors":"Qinlong Hu, Haoyang Lou, Zhuqing Niu, Jiankai Zhang, Xinjia Wang, Hui Jin, Zhongming Bu, Guoneng Li, Yuanjun Tang, Chao Ye","doi":"10.1016/j.joei.2026.102467","DOIUrl":"10.1016/j.joei.2026.102467","url":null,"abstract":"<div><div>This study systematically explores nickel-based HZSM-5 zeolite activated by NaOH treatment in different atmospheres (air and CO<sub>2</sub>), revealing the intricate synergistic mechanisms between structure, acidity, and metal active sites during the catalytic cracking of toluene. The research found that the pore structure and acid site distribution of the catalyst can be directionally tuned through the choice of atmosphere: air activation primarily expands mesopores and optimizes mass transfer, while CO<sub>2</sub> activation finely tunes the acid sites, significantly enhancing the weak and medium-strength acid sites, thereby constructing a rich reactive interface for the adsorption and initial activation of toluene. In the reaction pathway, a significant synergistic effect between the metal and the support was observed: nickel species were reduced to highly dispersed nanoparticles, serving as the core sites for activating C-H and C-C bonds, which cooperated with the acidic centers of the zeolite to promote the cleavage of toluene molecules and the opening of the benzene ring, ultimately converting them into small molecule synthesis gas. Under conditions of 7% nickel loading and CO<sub>2</sub> activation, the maximum toluene conversion rate reached 78.92%. The flow-mass transfer-reaction coupling model constructed using COMSOL successfully replicated the experimental trends (simulation efficiency 79%) and clarified that temperature and feed flow rate are key operational parameters affecting the cracking behavior. From the perspectives of \"structure-acidity synergy\" and \"metal-support interaction,\" this study deepens the understanding of the micro-mechanism of toluene catalytic cracking, providing a theoretical basis for the rational design of catalysts and process optimization.</div></div>","PeriodicalId":17287,"journal":{"name":"Journal of The Energy Institute","volume":"125 ","pages":"Article 102467"},"PeriodicalIF":6.2,"publicationDate":"2026-04-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146078271","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2026-04-01Epub Date: 2025-07-21DOI: 10.1016/j.joei.2025.102205
Chiagoziem C. Ukwuoma , Dongsheng Cai , Chibueze D. Ukwuoma , Chinedu I. Otuka , Ibrahim Kunle Adefarati , Huan Yang , Olusola Bamisile , Qi Huang
This study aims to enhance the accuracy, explainability, and industrial applicability of methane (CH4) and hydrogen (H2) yield predictions in supercritical water gasification (SCWG), a promising method for biofuel production. Traditional approaches often lack precision and scalability, necessitating advanced data-driven solutions. We revisit machine learning (ML) models, focusing on hyperparameter optimisation (Grid Search, Random Search, Bayesian Optimisation), model explainability (LIME, SHAP, permutation importance), and industrial implications. Using SCWG data from Yimin lignite, six ML models and two ensembles were evaluated with MAE, RMSE, and R2 metrics under 5-fold cross-validation. Random Forest outperformed others, achieving R2 values of 0.995 for CH4 and 1.00 for H2, with low errors. Explainability analyses identified temperature and CE as the most critical factors, while optimisation techniques showed minimal performance differences, supporting simpler optimisation techniques like Random search in resource-constrained settings. Williams plots confirmed robust applicability, with over 99.9 % of data points within acceptable ranges (±2 residuals and low leverage). These findings enhance SCWG process efficiency, reduce costs, and minimise environmental impacts, advancing sustainable energy solutions.
{"title":"Revisiting data-driven approaches for methane and hydrogen production prediction with emphasis on explainability, applicability, and industrial implications","authors":"Chiagoziem C. Ukwuoma , Dongsheng Cai , Chibueze D. Ukwuoma , Chinedu I. Otuka , Ibrahim Kunle Adefarati , Huan Yang , Olusola Bamisile , Qi Huang","doi":"10.1016/j.joei.2025.102205","DOIUrl":"10.1016/j.joei.2025.102205","url":null,"abstract":"<div><div>This study aims to enhance the accuracy, explainability, and industrial applicability of methane (CH<sub>4</sub>) and hydrogen (H<sub>2</sub>) yield predictions in supercritical water gasification (SCWG), a promising method for biofuel production. Traditional approaches often lack precision and scalability, necessitating advanced data-driven solutions. We revisit machine learning (ML) models, focusing on hyperparameter optimisation (Grid Search, Random Search, Bayesian Optimisation), model explainability (LIME, SHAP, permutation importance), and industrial implications. Using SCWG data from Yimin lignite, six ML models and two ensembles were evaluated with MAE, RMSE, and R<sup>2</sup> metrics under 5-fold cross-validation. Random Forest outperformed others, achieving R<sup>2</sup> values of 0.995 for CH<sub>4</sub> and 1.00 for H<sub>2</sub>, with low errors. Explainability analyses identified temperature and CE as the most critical factors, while optimisation techniques showed minimal performance differences, supporting simpler optimisation techniques like Random search in resource-constrained settings. Williams plots confirmed robust applicability, with over 99.9 % of data points within acceptable ranges (±2 residuals and low leverage). These findings enhance SCWG process efficiency, reduce costs, and minimise environmental impacts, advancing sustainable energy solutions.</div></div>","PeriodicalId":17287,"journal":{"name":"Journal of The Energy Institute","volume":"125 ","pages":"Article 102205"},"PeriodicalIF":6.2,"publicationDate":"2026-04-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146188704","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2026-04-01Epub Date: 2026-02-03DOI: 10.1016/j.joei.2026.102473
Quan Wang , Yishuang Wang , Defang Liang , Jing Liu , Mingqiang Chen , Chunyue Cheng , Xuemei Shen , Chang Li , Jun Wang , Peng Wang , Zhuowu Men
The development of Fe-based catalysts with controllable iron carbide phases and product selectivity for Fischer-Tropsch to olefins (FTO) is a research hotspot and remains some challenges. Herein, the physical mixture of as-prepared zeolites (SAPO-18 and CoAPO-18) and iron carbide (K-FeCx) catalysts was directly used for FTO. The impact of zeolites on the phase transformations, reduction behaviors, H2 and CO adsorption, and FTO performance of K-FeCx has been investigated via a series of characterization techniques. The results demonstrated zeolites promoted the conversion of Fe7C3 (the dominant phases in fresh K-FeCx) into Fe5C2 and suppressed the agglomeration of active phases during FTO. Furthermore, the addition of zeolites significantly increased the CO conversion and served as catalytic cracking sites to reduce the carbon chain growth, resulting in the components of C5+ products concentrated in C5-C16. It also revealed that the acid strengths of zeolites altered the distributions of C2=-C4= and C5+ products. Among them, K-FeCx/CoAPO-18 exhibited 25.0% selectivity for C2=-C4= products, which was higher than that over K-FeCx/SAPO-18, while K-FeCx/SAPO-18 favored the production of C5=-C10= products. Additionally, in situ FTIR revealed that physically mixed zeolites promoted the dissociation of HCOO− to CHX*, removal of O atoms and C-C coupling reactions.
{"title":"Modulation of iron carbide phases and product distribution in Fischer-Tropsch to olefins via physical mixing of K-FeCx with zeolites","authors":"Quan Wang , Yishuang Wang , Defang Liang , Jing Liu , Mingqiang Chen , Chunyue Cheng , Xuemei Shen , Chang Li , Jun Wang , Peng Wang , Zhuowu Men","doi":"10.1016/j.joei.2026.102473","DOIUrl":"10.1016/j.joei.2026.102473","url":null,"abstract":"<div><div>The development of Fe-based catalysts with controllable iron carbide phases and product selectivity for Fischer-Tropsch to olefins (FTO) is a research hotspot and remains some challenges. Herein, the physical mixture of as-prepared zeolites (SAPO-18 and CoAPO-18) and iron carbide (K-FeC<sub>x</sub>) catalysts was directly used for FTO. The impact of zeolites on the phase transformations, reduction behaviors, H<sub>2</sub> and CO adsorption, and FTO performance of K-FeC<sub>x</sub> has been investigated via a series of characterization techniques. The results demonstrated zeolites promoted the conversion of Fe<sub>7</sub>C<sub>3</sub> (the dominant phases in fresh K-FeC<sub>x</sub>) into Fe<sub>5</sub>C<sub>2</sub> and suppressed the agglomeration of active phases during FTO. Furthermore, the addition of zeolites significantly increased the CO conversion and served as catalytic cracking sites to reduce the carbon chain growth, resulting in the components of C<sub>5+</sub> products concentrated in C<sub>5</sub>-C<sub>16</sub>. It also revealed that the acid strengths of zeolites altered the distributions of C<sub>2</sub><sup>=</sup>-C<sub>4</sub><sup>=</sup> and C<sub>5+</sub> products. Among them, K-FeC<sub>x</sub>/CoAPO-18 exhibited 25.0% selectivity for C<sub>2</sub><sup>=</sup>-C<sub>4</sub><sup>=</sup> products, which was higher than that over K-FeC<sub>x</sub>/SAPO-18, while K-FeC<sub>x</sub>/SAPO-18 favored the production of C<sub>5</sub><sup>=</sup>-C<sub>10</sub><sup>=</sup> products. Additionally, in situ FTIR revealed that physically mixed zeolites promoted the dissociation of HCOO<sup>−</sup> to CH<sub>X</sub>*, removal of O atoms and C-C coupling reactions.</div></div>","PeriodicalId":17287,"journal":{"name":"Journal of The Energy Institute","volume":"125 ","pages":"Article 102473"},"PeriodicalIF":6.2,"publicationDate":"2026-04-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146188707","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2026-02-01Epub Date: 2025-10-23DOI: 10.1016/j.joei.2025.102357
Shanshan Wen , Li Liang , Junhong Zhang , Lihua Gao , Zhijun He
An environmentally friendly and economically viable process for the production of carbon-based synfuel via the co-carbonization of corn stalks (SW) and bituminous coal (BC) for sintering operations in the steel industry. The preparation parameters included a co-carbonization temperature of 700 °C, a holding time of 60 min, and a biomass-to-coal mass ratio of 5/5. Under these conditions, a composite fuel suitable for sintering production was successfully prepared, featuring a bulk density of 410 kg m−3, a solid yield of 46.52 %, and a high calorific value of 28.91 MJ kg−1. The experimental findings demonstrate that the carbon-based composite fuels underwent dynamic microstructural evolution during the co-carbonization process, manifested through the gradual decomposition of the internal ordered cellulose frameworks and the increase enhancement in the graphitic carbon phase concentration. Furthermore, the co-carbonization process significantly modulated the of surface functional group concentrations in the carbon-based synthetic fuels, wherein aromatic compounds containing C-O bonding configurations played a pivotal role in governing their reactivity profiles. This work provides valuable theoretical guidance for the application of biomass in sintering processes, while also pointing the way forward for promoting low-carbon emission production practices in the metallurgical industry.
通过将玉米秸秆(SW)和烟煤(BC)共碳化,生产碳基合成燃料的一种环保且经济可行的工艺,用于钢铁工业的烧结操作。制备参数为共碳化温度700℃,保温时间60 min,生物质与煤的质量比为5/5。在此条件下,成功制备了适合烧结生产的复合燃料,其体积密度为410 kg m−3,固体产率为46.52%,热值为28.91 MJ kg−1。实验结果表明,碳基复合燃料在共碳化过程中发生了动态的微观结构演变,表现为内部有序纤维素框架的逐渐分解和石墨碳相浓度的增强。此外,共碳化过程显著调节了碳基合成燃料中表面官能团的浓度,其中含有C-O键构型的芳香族化合物在控制其反应性方面发挥了关键作用。这项工作为生物质在烧结过程中的应用提供了有价值的理论指导,同时也为冶金行业推广低碳排放生产实践指明了前进的方向。
{"title":"Insights into sustainable carbon-based synfuel production via biomass and low-rank coal co-carbonization technology: Co-carbonization pathways regulating and decoupling combustion reactivity","authors":"Shanshan Wen , Li Liang , Junhong Zhang , Lihua Gao , Zhijun He","doi":"10.1016/j.joei.2025.102357","DOIUrl":"10.1016/j.joei.2025.102357","url":null,"abstract":"<div><div>An environmentally friendly and economically viable process for the production of carbon-based synfuel via the co-carbonization of corn stalks (SW) and bituminous coal (BC) for sintering operations in the steel industry. The preparation parameters included a co-carbonization temperature of 700 °C, a holding time of 60 min, and a biomass-to-coal mass ratio of 5/5. Under these conditions, a composite fuel suitable for sintering production was successfully prepared, featuring a bulk density of 410 kg m<sup>−3</sup>, a solid yield of 46.52 %, and a high calorific value of 28.91 MJ kg<sup>−1</sup>. The experimental findings demonstrate that the carbon-based composite fuels underwent dynamic microstructural evolution during the co-carbonization process, manifested through the gradual decomposition of the internal ordered cellulose frameworks and the increase enhancement in the graphitic carbon phase concentration. Furthermore, the co-carbonization process significantly modulated the of surface functional group concentrations in the carbon-based synthetic fuels, wherein aromatic compounds containing C-O bonding configurations played a pivotal role in governing their reactivity profiles. This work provides valuable theoretical guidance for the application of biomass in sintering processes, while also pointing the way forward for promoting low-carbon emission production practices in the metallurgical industry.</div></div>","PeriodicalId":17287,"journal":{"name":"Journal of The Energy Institute","volume":"124 ","pages":"Article 102357"},"PeriodicalIF":6.2,"publicationDate":"2026-02-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145419083","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2026-02-01Epub Date: 2025-11-24DOI: 10.1016/j.joei.2025.102394
Adam J. Stander, Marisana A. Masha, George M. Teke, Somayeh Farzad, Johannes H. Knoetze, Cara E. Schwarz, Johann F. Görgens
Pyrolysis of waste tire rubber produces three crude products: tire-derived oil (TDO), pyrolysis char and pyrolysis gas. While char and gas have diverse functional applications, crude TDO typically does not meet specifications for premium commercial fuel, due to its low quality and chemical heterogeneity. Hence, this study upgraded TDO to higher-quality fractions through a combination of thermal-desulphurization, fractional condensation of hot pyrolysis volatiles into three TDO fractions, and oxidative desulphurization (ODS). Key findings showed significant fractionation was achieved in the boiling point range of a typical crude TDO (54.41–246.23 °C), thereby separating from each other the light-cut (48.99–77.32 °C), medium-cut (74.98–225.25 °C), and heavy-cut (133.12–288.75 °C) fractions. The heaviest TDO fraction met all marine bunker oil specifications, except for sulphur content, while the medium TDO fraction met commercial diesel specifications except for flash point and sulphur content. The lightest TDO fraction would require several upgrading steps to meet the specifications of naphtha, kerosene and/or gasoline. Further decreases of 55, 62 and 48 % in the sulphur contents of the heavy, medium and light TDO fractions, respectively, could be achieved by a typical ODS combined with solvent extraction. However, further development of these processes for sulphur removal is required to meet specific commercial fuel standards.
{"title":"Upgrading of pyrolysis tire-derived oil through fractional condensation and subsequent oxidative desulphurisation","authors":"Adam J. Stander, Marisana A. Masha, George M. Teke, Somayeh Farzad, Johannes H. Knoetze, Cara E. Schwarz, Johann F. Görgens","doi":"10.1016/j.joei.2025.102394","DOIUrl":"10.1016/j.joei.2025.102394","url":null,"abstract":"<div><div>Pyrolysis of waste tire rubber produces three crude products: tire-derived oil (TDO), pyrolysis char and pyrolysis gas. While char and gas have diverse functional applications, crude TDO typically does not meet specifications for premium commercial fuel, due to its low quality and chemical heterogeneity. Hence, this study upgraded TDO to higher-quality fractions through a combination of thermal-desulphurization, fractional condensation of hot pyrolysis volatiles into three TDO fractions, and oxidative desulphurization (ODS). Key findings showed significant fractionation was achieved in the boiling point range of a typical crude TDO (54.41–246.23 °C), thereby separating from each other the light-cut (48.99–77.32 °C), medium-cut (74.98–225.25 °C), and heavy-cut (133.12–288.75 °C) fractions. The heaviest TDO fraction met all marine bunker oil specifications, except for sulphur content, while the medium TDO fraction met commercial diesel specifications except for flash point and sulphur content. The lightest TDO fraction would require several upgrading steps to meet the specifications of naphtha, kerosene and/or gasoline. Further decreases of 55, 62 and 48 % in the sulphur contents of the heavy, medium and light TDO fractions, respectively, could be achieved by a typical ODS combined with solvent extraction. However, further development of these processes for sulphur removal is required to meet specific commercial fuel standards.</div></div>","PeriodicalId":17287,"journal":{"name":"Journal of The Energy Institute","volume":"124 ","pages":"Article 102394"},"PeriodicalIF":6.2,"publicationDate":"2026-02-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145681399","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}