Pub Date : 2026-04-01Epub Date: 2026-01-30DOI: 10.1016/j.joei.2026.102458
Yu Li , Lei Wang , Cheng Shen , Xin Liu , Bo Xiong , Zuojun Li , Jie Chen , Laihong Shen
The existence of H2S results in sulfurization of oxygen carrier materials, poisoning and deactivating them during chemical looping combustion. Sulfur-related reactions over the CoFe2O4 (100) surface were deeply explored by density functional theory and thermodynamic calculations. Adsorption intensity for sulfur species is in the order of S* > HS* > H2S* on CoFe2O4. The step of HS* + * → S* + H* acts as the rate-controlling stage for H2S dissociation. The separated H atoms may react with surface O atoms and generate gaseous H2O, which is activated by 2.31 eV. The S atom will fill the oxygen vacancies and made CoFe2O4 inactivated. The dissociated S atoms may seize the surface oxygen that was originally intended for reacting with the fuel molecules, leading to SO2 formation, and the corresponding energy barrier is 1.07 eV. Kinetically, SO2 formation is significantly easier than H2O formation during sulfur-related reactions upon CoFe2O4. Sulfur impurities in CLC not only contaminate the oxygen carrier but also reduce the conversion efficiency.
{"title":"Study on sulfur-related reactions with Co-Fe spinel during chemical looping: A mechanistic research","authors":"Yu Li , Lei Wang , Cheng Shen , Xin Liu , Bo Xiong , Zuojun Li , Jie Chen , Laihong Shen","doi":"10.1016/j.joei.2026.102458","DOIUrl":"10.1016/j.joei.2026.102458","url":null,"abstract":"<div><div>The existence of H<sub>2</sub>S results in sulfurization of oxygen carrier materials, poisoning and deactivating them during chemical looping combustion. Sulfur-related reactions over the CoFe<sub>2</sub>O<sub>4</sub> (100) surface were deeply explored by density functional theory and thermodynamic calculations. Adsorption intensity for sulfur species is in the order of S* > HS* > H<sub>2</sub>S* on CoFe<sub>2</sub>O<sub>4</sub>. The step of HS* + * → S* + H* acts as the rate-controlling stage for H<sub>2</sub>S dissociation. The separated H atoms may react with surface O atoms and generate gaseous H<sub>2</sub>O, which is activated by 2.31 eV. The S atom will fill the oxygen vacancies and made CoFe<sub>2</sub>O<sub>4</sub> inactivated. The dissociated S atoms may seize the surface oxygen that was originally intended for reacting with the fuel molecules, leading to SO<sub>2</sub> formation, and the corresponding energy barrier is 1.07 eV. Kinetically, SO<sub>2</sub> formation is significantly easier than H<sub>2</sub>O formation during sulfur-related reactions upon CoFe<sub>2</sub>O<sub>4</sub>. Sulfur impurities in CLC not only contaminate the oxygen carrier but also reduce the conversion efficiency.</div></div>","PeriodicalId":17287,"journal":{"name":"Journal of The Energy Institute","volume":"125 ","pages":"Article 102458"},"PeriodicalIF":6.2,"publicationDate":"2026-04-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146188709","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: 2025-12-24DOI: 10.1016/j.joei.2025.102427
Reza Mirzaei, Omid Tavakoli
Hydrogen is recognized as a sustainable source of fuel. In this work, hydrogen production from food waste was explored using subcritical and supercritical water gasification. A representative food waste mixture (rice, orange peel, chicken meat, and lettuce) was gasified in a batch reactor. The influence of temperature (350–400 °C), biomass concentration (5–15 wt%), and reaction time (30–60 min) on hydrogen generation was examined. To evaluate the process and determine the conditions that maximize hydrogen generation, a response surface methodology was employed. Key operating parameters' independent and combined effects on total gas yield and hydrogen mole fraction in final gases were determined. Under optimal conditions at 400 °C, 5 wt% feedstock, and 60 min, the maximum total gas yield (8.3 mmol/g), hydrogen yield (2.44 mmol/g), H2 mole fraction (29.5 %), and hydrogen selectivity (41.84 %) were obtained. Temperature exhibited the strongest influence, while feed concentration and residence time had comparatively lesser effects. The catalytic effect of Co3O4 and MnO2 at different loadings was evaluated at optimal conditions. Co3O4 exhibited a superior performance, enhancing H2 content, hydrogen yield, and hydrogen selectivity to 36.1 %, 3.36 mmol/g, and 56.49 %, respectively. Finally, a comprehensive study on the reaction mechanism of food waste was proposed to explain its conversion route into valuable products.
{"title":"Sustainable hydrogen production via subcritical and supercritical water gasification of food waste: An optimization and reaction pathway study","authors":"Reza Mirzaei, Omid Tavakoli","doi":"10.1016/j.joei.2025.102427","DOIUrl":"10.1016/j.joei.2025.102427","url":null,"abstract":"<div><div>Hydrogen is recognized as a sustainable source of fuel. In this work, hydrogen production from food waste was explored using subcritical and supercritical water gasification. A representative food waste mixture (rice, orange peel, chicken meat, and lettuce) was gasified in a batch reactor. The influence of temperature (350–400 °C), biomass concentration (5–15 wt%), and reaction time (30–60 min) on hydrogen generation was examined. To evaluate the process and determine the conditions that maximize hydrogen generation, a response surface methodology was employed. Key operating parameters' independent and combined effects on total gas yield and hydrogen mole fraction in final gases were determined. Under optimal conditions at 400 °C, 5 wt% feedstock, and 60 min, the maximum total gas yield (8.3 mmol/g), hydrogen yield (2.44 mmol/g), H<sub>2</sub> mole fraction (29.5 %), and hydrogen selectivity (41.84 %) were obtained. Temperature exhibited the strongest influence, while feed concentration and residence time had comparatively lesser effects. The catalytic effect of Co<sub>3</sub>O<sub>4</sub> and MnO<sub>2</sub> at different loadings was evaluated at optimal conditions. Co<sub>3</sub>O<sub>4</sub> exhibited a superior performance, enhancing H<sub>2</sub> content, hydrogen yield, and hydrogen selectivity to 36.1 %, 3.36 mmol/g, and 56.49 %, respectively. Finally, a comprehensive study on the reaction mechanism of food waste was proposed to explain its conversion route into valuable products.</div></div>","PeriodicalId":17287,"journal":{"name":"Journal of The Energy Institute","volume":"125 ","pages":"Article 102427"},"PeriodicalIF":6.2,"publicationDate":"2026-04-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146078303","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.2026.102462
Daoxuan Sun , Weidong Nie , Shue Tian , Dong Han , Laizhi Sun , Lei Chen , Shuangxia Yang , Tianjin Li , Zhiguo Dong , Baofeng Zhao , Meirong Xu , Xinping Xie , Hongyu Si , Dongliang Hua
The catalytic pyrolysis of high-density polyethylene (HDPE) over the Zn modified ZSM-5 zeolite catalysts was systematically examined to improve the yield of aromatic hydrocarbons. The Zn/ZSM-5 catalysts with different zinc loadings were synthesized by the incipient wetness impregnation method and thoroughly characterized by the BET, XRD, NH3-TPD, SEM, and TG techniques. The influences of the Zn content, the reaction temperature, and the catalyst-to-feedstock mass ratio on the distribution of products and the selectivity of aromatics were investigated. The results indicated that under the optimized conditions of 5 % Zn loading, the reaction temperature of 450 °C, and the catalyst-to-feedstock mass ratio of 2/1, the selectivity of monocyclic aromatic hydrocarbons (MAHs) reached 85.65 %, while the selectivity of benzene, toluene, ethylbenzene, and xylene (BTEX) was as high as 62.06 %. The 5 % Zn/ZSM-5 catalyst also exhibited the excellent structural stability and retained about 85 % selectivity of MAHs after 10 successive cycles. The characterization analyses confirmed that the incorporation of Zn metal altered the pore environment and the acidity profile of the ZSM-5, thereby enhancing the dehydrogenation and aromatization of the pyrolytic intermediates. A reaction mechanism of the catalytic pyrolysis of HDPE over the Zn/ZSM-5 was proposed, suggesting that the generation of the aromatic hydrocarbons was promoted through the hydrogen-transfer, oligomerization, and cyclization pathways. These findings demonstrated that the Zn/ZSM-5 catalysts provide a promising strategy for the selective conversion of plastic waste into the value-added aromatic hydrocarbons.
{"title":"Catalytic pyrolysis of plastic to produce aromatic hydrocarbons over the Zn modified ZSM-5 catalysts","authors":"Daoxuan Sun , Weidong Nie , Shue Tian , Dong Han , Laizhi Sun , Lei Chen , Shuangxia Yang , Tianjin Li , Zhiguo Dong , Baofeng Zhao , Meirong Xu , Xinping Xie , Hongyu Si , Dongliang Hua","doi":"10.1016/j.joei.2026.102462","DOIUrl":"10.1016/j.joei.2026.102462","url":null,"abstract":"<div><div>The catalytic pyrolysis of high-density polyethylene (HDPE) over the Zn modified ZSM-5 zeolite catalysts was systematically examined to improve the yield of aromatic hydrocarbons. The Zn/ZSM-5 catalysts with different zinc loadings were synthesized by the incipient wetness impregnation method and thoroughly characterized by the BET, XRD, NH<sub>3</sub>-TPD, SEM, and TG techniques. The influences of the Zn content, the reaction temperature, and the catalyst-to-feedstock mass ratio on the distribution of products and the selectivity of aromatics were investigated. The results indicated that under the optimized conditions of 5 % Zn loading, the reaction temperature of 450 °C, and the catalyst-to-feedstock mass ratio of 2/1, the selectivity of monocyclic aromatic hydrocarbons (MAHs) reached 85.65 %, while the selectivity of benzene, toluene, ethylbenzene, and xylene (BTEX) was as high as 62.06 %. The 5 % Zn/ZSM-5 catalyst also exhibited the excellent structural stability and retained about 85 % selectivity of MAHs after 10 successive cycles. The characterization analyses confirmed that the incorporation of Zn metal altered the pore environment and the acidity profile of the ZSM-5, thereby enhancing the dehydrogenation and aromatization of the pyrolytic intermediates. A reaction mechanism of the catalytic pyrolysis of HDPE over the Zn/ZSM-5 was proposed, suggesting that the generation of the aromatic hydrocarbons was promoted through the hydrogen-transfer, oligomerization, and cyclization pathways. These findings demonstrated that the Zn/ZSM-5 catalysts provide a promising strategy for the selective conversion of plastic waste into the value-added aromatic hydrocarbons.</div></div>","PeriodicalId":17287,"journal":{"name":"Journal of The Energy Institute","volume":"125 ","pages":"Article 102462"},"PeriodicalIF":6.2,"publicationDate":"2026-04-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146078405","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: 2026-01-07DOI: 10.1016/j.joei.2026.102445
Sai Wang , Xinsheng Jiang , Binbin Yu , Keyu Lin , Run Li , Yunxiong Cai
In the construction of diesel surrogates, selecting excessive light or heavy hydrocarbons can not precisely represent the true properties of real fuels, thus can not successfully capture subsequent in-cylinder atomization, ignition and combustion characteristics. Towards higher-accuracy property prediction of actual diesel, this research targets to develop a five-component skeletal mechanism containing moderate amounts of light and heavy hydrocarbons. By selecting the appropriate hydrocarbons, optimizing the composition with seven properties as optimized target, and comparing with recently available diesel surrogates from literature, a diesel surrogate model consisting of 22.9 % n-hexadecane (HXN), 16.8 % iso-octane, 6.5 % 2,2,4,4,6,8,8-heptamethylnonane (HMN), 20.6 % decalin and 33.2 % toluene by mole fraction was formulated. Then, a skeletal mechanism was developed via decoupling methodology, involving a skeletal C0-C3 mechanism and skeletal sub-mechanisms of HXN, iso-octane, HMN, decalin and toluene. An optimized mechanism was obtained by optimizing the rate constant based on the sensitivity analysis of ignition delay times (IDTs) and laminar flame speed (LFS). After that, the skeletal mechanism was widely verified against experimental data such as IDTs, species concentration profile and LFS of five components and actual fuel. Finally, the feasibility of the mechanism in computational fluid dynamic (CFD) simulations is further verified by experimental data. Results suggested that the simulations were in accordance with the data measured in fundamental combustion experiment and engine in-cylinder combustion, indicating that the mechanism can be adopted for simulating auto-ignition and oxidation of real diesel and modeling of practical engines.
{"title":"Development of a skeletal mechanism for five-component diesel surrogate model by emulating physical and chemical properties","authors":"Sai Wang , Xinsheng Jiang , Binbin Yu , Keyu Lin , Run Li , Yunxiong Cai","doi":"10.1016/j.joei.2026.102445","DOIUrl":"10.1016/j.joei.2026.102445","url":null,"abstract":"<div><div>In the construction of diesel surrogates, selecting excessive light or heavy hydrocarbons can not precisely represent the true properties of real fuels, thus can not successfully capture subsequent in-cylinder atomization, ignition and combustion characteristics. Towards higher-accuracy property prediction of actual diesel, this research targets to develop a five-component skeletal mechanism containing moderate amounts of light and heavy hydrocarbons. By selecting the appropriate hydrocarbons, optimizing the composition with seven properties as optimized target, and comparing with recently available diesel surrogates from literature, a diesel surrogate model consisting of 22.9 % n-hexadecane (HXN), 16.8 % iso-octane, 6.5 % 2,2,4,4,6,8,8-heptamethylnonane (HMN), 20.6 % decalin and 33.2 % toluene by mole fraction was formulated. Then, a skeletal mechanism was developed via decoupling methodology, involving a skeletal C<sub>0</sub>-C<sub>3</sub> mechanism and skeletal sub-mechanisms of HXN, iso-octane, HMN, decalin and toluene. An optimized mechanism was obtained by optimizing the rate constant based on the sensitivity analysis of ignition delay times (IDTs) and laminar flame speed (LFS). After that, the skeletal mechanism was widely verified against experimental data such as IDTs, species concentration profile and LFS of five components and actual fuel. Finally, the feasibility of the mechanism in computational fluid dynamic (CFD) simulations is further verified by experimental data. Results suggested that the simulations were in accordance with the data measured in fundamental combustion experiment and engine in-cylinder combustion, indicating that the mechanism can be adopted for simulating auto-ignition and oxidation of real diesel and modeling of practical engines.</div></div>","PeriodicalId":17287,"journal":{"name":"Journal of The Energy Institute","volume":"125 ","pages":"Article 102445"},"PeriodicalIF":6.2,"publicationDate":"2026-04-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145927012","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: 2025-12-16DOI: 10.1016/j.joei.2025.102424
Youliu Huang , Cangsu Xu , Yuntang Li , Hongwei Li , Zhihao Gu , Hongjian Deng , Francis Oppong , Xiaolu Li
This study aims to characterize the premixed combustion of ammonia, a promising zero-carbon fuel, under oxygen-enriched conditions to guide its application in clean energy systems. Laminar burning velocity (LBV) was measured using the constant pressure method of the spherically expanding flame across a range of oxygen concentrations (25 %, 30 %), equivalence ratios (0.8–1.2), initial temperatures (313–373 K), and pressures (1–3 bar). The results indicate that LBV is significantly enhanced under oxygen enriched conditions, with the promoting effect of oxygen enrichment being even more pronounced at higher pressures. The oxygen enriched condition accelerates the dominant reaction pathway NH3 → NH2 → NH → N → N2, leading to increased NOX emissions. However, high pressure reduces NOX emissions by promoting NO consumption, while elevated temperature slightly increases NOX formation. Emissions reach a minimum at an equivalence ratio of ϕ = 1.2. The combined analysis of LBV and emission characteristics confirms the feasibility of employing oxygen-enriched combustion strategies for ammonia in practical high-temperature and high-pressure applications. An increase in oxygen content, initial temperature, and initial pressure all reduce flame thickness and raise the adiabatic flame temperature, thereby intensifying hydrodynamic instability. Nevertheless, thermal diffusion stabilizes the flame surface front. Buoyancy instability becomes significant under low flame speeds and can be suppressed by high oxygen concentration, high temperature, and lean-fuel mixture conditions, whereas high pressure and rich mixtures promote its development. These findings provide a theoretical foundation for designing and optimizing future engine technologies using ammonia combustion, demonstrating how to balance high performance with low emissions and advancing the development of zero-carbon power technology.
{"title":"Enhancing ammonia combustion: Study of laminar burning velocity, flame instability, and NOx emissions under oxygen-enriched conditions","authors":"Youliu Huang , Cangsu Xu , Yuntang Li , Hongwei Li , Zhihao Gu , Hongjian Deng , Francis Oppong , Xiaolu Li","doi":"10.1016/j.joei.2025.102424","DOIUrl":"10.1016/j.joei.2025.102424","url":null,"abstract":"<div><div>This study aims to characterize the premixed combustion of ammonia, a promising zero-carbon fuel, under oxygen-enriched conditions to guide its application in clean energy systems. Laminar burning velocity (LBV) was measured using the constant pressure method of the spherically expanding flame across a range of oxygen concentrations (25 %, 30 %), equivalence ratios (0.8–1.2), initial temperatures (313–373 K), and pressures (1–3 bar). The results indicate that LBV is significantly enhanced under oxygen enriched conditions, with the promoting effect of oxygen enrichment being even more pronounced at higher pressures. The oxygen enriched condition accelerates the dominant reaction pathway NH<sub>3</sub> → NH<sub>2</sub> → NH → N → N<sub>2</sub>, leading to increased NO<sub>X</sub> emissions. However, high pressure reduces NO<sub>X</sub> emissions by promoting NO consumption, while elevated temperature slightly increases NO<sub>X</sub> formation. Emissions reach a minimum at an equivalence ratio of <em>ϕ</em> = 1.2. The combined analysis of LBV and emission characteristics confirms the feasibility of employing oxygen-enriched combustion strategies for ammonia in practical high-temperature and high-pressure applications. An increase in oxygen content, initial temperature, and initial pressure all reduce flame thickness and raise the adiabatic flame temperature, thereby intensifying hydrodynamic instability. Nevertheless, thermal diffusion stabilizes the flame surface front. Buoyancy instability becomes significant under low flame speeds and can be suppressed by high oxygen concentration, high temperature, and lean-fuel mixture conditions, whereas high pressure and rich mixtures promote its development. These findings provide a theoretical foundation for designing and optimizing future engine technologies using ammonia combustion, demonstrating how to balance high performance with low emissions and advancing the development of zero-carbon power technology.</div></div>","PeriodicalId":17287,"journal":{"name":"Journal of The Energy Institute","volume":"125 ","pages":"Article 102424"},"PeriodicalIF":6.2,"publicationDate":"2026-04-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145771902","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}
Hydrogen blending combustion of natural gas represents a promising strategy for carbon reduction in the gas sector. However, the conversion mechanism of nitrogen oxides (NOx) caused by hydrogen blending combustion remains unclear. In this study, we employed in-situ image spectroscopy measurement technology coupled with a McKenna flat-flame burner to investigate the nitrogen conversion mechanisms in hydrogen-blended natural gas combustion. The experimental setup allowed for the spatial distribution analysis of key excited-state radicals (NH∗, CN∗, OH∗, CH∗, C2∗) as well as the emission characteristics of nitrogen oxide (NO) throughout the combustion process. Combined with the chemical reaction kinetics analysis, the key elemental reactions involved in nitrogen conversion were identified. The results indicate that hydrogen blending reduces the emissions of excited-state radicals and NO. In particular, hydrogen blending promotes the NNH mechanism NO while diminishing other NO formation routes. The reduction in prompt NO formation can primarily be attributed to the decrease in hydrocarbon fuels following hydrogen blending. Moreover, the thinning of the flame front, which results in a shorter residence time in the high-temperature zone, coupled with a diminished tendency for O atoms to react with N2, further contributes to the reduction of thermal NO and N2O mechanism NO formation. From lean to stoichiometric to rich combustion, NO emissions exhibit an initial increase before decreasing. Thermal NO and NNH mechanism NO first intensify and then diminish, while the prompt NO significantly increases and the N2O route weakens. The research provides both theoretical and empirical insights into the optimization of hydrogen-blended natural gas combustion.
{"title":"Influence of H2 blending on NOx formation mechanism in natural gas laminar premixed flames","authors":"Guangchi Zhou , Meirong Dong , Youcai Liang , Jidong Lu","doi":"10.1016/j.joei.2026.102470","DOIUrl":"10.1016/j.joei.2026.102470","url":null,"abstract":"<div><div>Hydrogen blending combustion of natural gas represents a promising strategy for carbon reduction in the gas sector. However, the conversion mechanism of nitrogen oxides (NO<sub>x</sub>) caused by hydrogen blending combustion remains unclear. In this study, we employed in-situ image spectroscopy measurement technology coupled with a McKenna flat-flame burner to investigate the nitrogen conversion mechanisms in hydrogen-blended natural gas combustion. The experimental setup allowed for the spatial distribution analysis of key excited-state radicals (NH∗, CN∗, OH∗, CH∗, C<sub>2</sub>∗) as well as the emission characteristics of nitrogen oxide (NO) throughout the combustion process. Combined with the chemical reaction kinetics analysis, the key elemental reactions involved in nitrogen conversion were identified. The results indicate that hydrogen blending reduces the emissions of excited-state radicals and NO. In particular, hydrogen blending promotes the NNH mechanism NO while diminishing other NO formation routes. The reduction in prompt NO formation can primarily be attributed to the decrease in hydrocarbon fuels following hydrogen blending. Moreover, the thinning of the flame front, which results in a shorter residence time in the high-temperature zone, coupled with a diminished tendency for O atoms to react with N<sub>2</sub>, further contributes to the reduction of thermal NO and N<sub>2</sub>O mechanism NO formation. From lean to stoichiometric to rich combustion, NO emissions exhibit an initial increase before decreasing. Thermal NO and NNH mechanism NO first intensify and then diminish, while the prompt NO significantly increases and the N<sub>2</sub>O route weakens. The research provides both theoretical and empirical insights into the optimization of hydrogen-blended natural gas combustion.</div></div>","PeriodicalId":17287,"journal":{"name":"Journal of The Energy Institute","volume":"125 ","pages":"Article 102470"},"PeriodicalIF":6.2,"publicationDate":"2026-04-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146188620","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}
The blending of gasoline with ammonia is increasingly recognized for its potential to enhance fuel efficiency and reduce emissions. The integration of gasoline and ammonia, along with the addition of hydrogen, presents as a viable approach for advancing sustainable fuel technologies. Experiments for laminar burning velocity (LBV) at atmospheric pressure were performed for a fuel blend involving gasoline, ammonia and hydrogen for 5 % energy fraction of ammonia (ENH3 = 0.05) on an externally heated diverging channel setup re-modified to include combined fuel mixtures of gaseous and liquid fuels and was performed for a temperature range from 350 K up to 600 K and for equivalence ratios 0.8–1.2. A mechanism consisting of hydrocarbon-ammonia interaction reactions for each surrogate component, was merged using a newly developed code, TIRAMISU, by Timothée Fages [31]. The reliability of merged mechanisms against laminar burning velocity experimental data taken from literature at atmospheric pressure for pure fuel at various inlet temperatures such as 358 K, 373 K, and existing literature data on TRF/NH3/air mixtures at 400 K between equivalence ratios 0.7 to 1.4 were tested. The numerical results aligned well with experimental data and satisfactory results were obtained from both the analysis with less than 10 % error. The chosen blend of gasoline–ammonia–hydrogen blends revealed a marginal decrease of about ±10 cm/s across the study temperature range, with reduced gasoline (∼34 % mole fraction) and higher ammonia concentration (∼46 % mole fraction). This indicates that the blend achieves comparable combustion performance to pure gasoline. Most significant reactions responsible for affecting LBV value and for existing discrepancies were identified conducting sensitivity analysis.
{"title":"Experimental and numerical analysis of laminar burning velocity for gasoline, ammonia, and hydrogen blends","authors":"Aneesha Nair , Shawnam S , Paramvir Singh , Vikas Sharma , Angad Panesar , Sudarshan Kumar","doi":"10.1016/j.joei.2026.102442","DOIUrl":"10.1016/j.joei.2026.102442","url":null,"abstract":"<div><div>The blending of gasoline with ammonia is increasingly recognized for its potential to enhance fuel efficiency and reduce emissions. The integration of gasoline and ammonia, along with the addition of hydrogen, presents as a viable approach for advancing sustainable fuel technologies. Experiments for laminar burning velocity (LBV) at atmospheric pressure were performed for a fuel blend involving gasoline, ammonia and hydrogen for 5 % energy fraction of ammonia (ENH<sub>3</sub> = 0.05) on an externally heated diverging channel setup re-modified to include combined fuel mixtures of gaseous and liquid fuels and was performed for a temperature range from 350 K up to 600 K and for equivalence ratios 0.8–1.2. A mechanism consisting of hydrocarbon-ammonia interaction reactions for each surrogate component, was merged using a newly developed code, TIRAMISU, by Timothée Fages [31]. The reliability of merged mechanisms against laminar burning velocity experimental data taken from literature at atmospheric pressure for pure fuel at various inlet temperatures such as 358 K, 373 K, and existing literature data on TRF/NH<sub>3</sub>/air mixtures at 400 K between equivalence ratios 0.7 to 1.4 were tested. The numerical results aligned well with experimental data and satisfactory results were obtained from both the analysis with less than 10 % error. The chosen blend of gasoline–ammonia–hydrogen blends revealed a marginal decrease of about ±10 cm/s across the study temperature range, with reduced gasoline (∼34 % mole fraction) and higher ammonia concentration (∼46 % mole fraction). This indicates that the blend achieves comparable combustion performance to pure gasoline. Most significant reactions responsible for affecting LBV value and for existing discrepancies were identified conducting sensitivity analysis.</div></div>","PeriodicalId":17287,"journal":{"name":"Journal of The Energy Institute","volume":"125 ","pages":"Article 102442"},"PeriodicalIF":6.2,"publicationDate":"2026-04-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145978028","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: 2026-01-10DOI: 10.1016/j.joei.2026.102447
Carine T. Alves , Francisco Maldonado-Martín , Alejandro Lete , Seyed Emad Hashemnezhad , Lucía García , Jude A. Onwudili
The conversion of glycerol through aqueous phase reforming (APR) presents an important opportunity for sustainable chemical and fuel production. This study explores the APR of glycerol using three catalysts (nickel supported on alumina (NiAl), copper supported on alumina (CuAl), and bimetallic nickel-iron supported on alumina (NiAlFe)), synthesized via the coprecipitation method. The APR experiments were conducted in both batch and fixed-bed reactors. In the batch reactor, a 75 mL Parr reactor was utilised, operating at 238 °C and 5 bar initial nitrogen pressure with 20 mL of a 5 wt% glycerol solution and 0.3 g of catalyst (catalyst/glycerol mass ratio = 0.3). The fixed-bed reactor was made of a stainless steel tube loaded with 2 g of catalyst, operating at 238 °C and 37 bar, with a continuous feed of 5 wt% glycerol solution, equivalent to catalyst/glycerol mass ratio of 0.33. NiAl produced the highest conversion of glycerol to gases and the highest yield of hydrogen (230 mg H2/mol C fed). However, among the tested catalysts, NiAlFe demonstrated superior performance, achieving a carbon yield to total products (liquid and gases) of approximately 80 % in the batch reactor as well as a relatively high hydrogen yield (141 mg H2/mol C fed). These results underscore the promising potential of the NiAlFe catalyst for efficient glycerol conversion in APR processes, paving the way for advancements in sustainable fuel and chemical production.
通过水相重整（APR）转化甘油为可持续的化学品和燃料生产提供了重要的机会。本研究采用共沉淀法合成了三种催化剂（氧化铝负载镍（NiAl）、氧化铝负载铜（CuAl）和氧化铝负载镍铁双金属（NiAlFe）），探讨了甘油的APR。在间歇式反应器和固定床反应器中进行了APR实验。在间歇式反应器中，使用75 mL Parr反应器，在238℃和5 bar初始氮压下运行，20 mL 5 wt%的甘油溶液和0.3 g催化剂（催化剂/甘油质量比= 0.3）。固定床反应器由一根不锈钢管制成，负载2g催化剂，在238℃和37 bar下工作，连续进料5 wt%的甘油溶液，相当于催化剂/甘油质量比为0.33。NiAl产生最高的甘油气体转化率和最高的氢气产量（230 mg H2/mol C）。然而，在测试的催化剂中，NiAlFe表现出优异的性能，在间歇反应器中实现了总产物（液体和气体）的碳收率约为80%，以及相对较高的氢气收率（141 mg H2/mol C）。这些结果强调了NiAlFe催化剂在APR过程中有效转化甘油的潜力，为可持续燃料和化学品生产的进步铺平了道路。
{"title":"Comparative study of the effects of reactor system and catalysts on glycerol valorisation via aqueous-phase reforming","authors":"Carine T. Alves , Francisco Maldonado-Martín , Alejandro Lete , Seyed Emad Hashemnezhad , Lucía García , Jude A. Onwudili","doi":"10.1016/j.joei.2026.102447","DOIUrl":"10.1016/j.joei.2026.102447","url":null,"abstract":"<div><div>The conversion of glycerol through aqueous phase reforming (APR) presents an important opportunity for sustainable chemical and fuel production. This study explores the APR of glycerol using three catalysts (nickel supported on alumina (NiAl), copper supported on alumina (CuAl), and bimetallic nickel-iron supported on alumina (NiAlFe)), synthesized via the coprecipitation method. The APR experiments were conducted in both batch and fixed-bed reactors. In the batch reactor, a 75 mL Parr reactor was utilised, operating at 238 °C and 5 bar initial nitrogen pressure with 20 mL of a 5 wt% glycerol solution and 0.3 g of catalyst (catalyst/glycerol mass ratio = 0.3). The fixed-bed reactor was made of a stainless steel tube loaded with 2 g of catalyst, operating at 238 °C and 37 bar, with a continuous feed of 5 wt% glycerol solution, equivalent to catalyst/glycerol mass ratio of 0.33. NiAl produced the highest conversion of glycerol to gases and the highest yield of hydrogen (230 mg H<sub>2</sub>/mol C fed). However, among the tested catalysts, NiAlFe demonstrated superior performance, achieving a carbon yield to total products (liquid and gases) of approximately 80 % in the batch reactor as well as a relatively high hydrogen yield (141 mg H<sub>2</sub>/mol C fed). These results underscore the promising potential of the NiAlFe catalyst for efficient glycerol conversion in APR processes, paving the way for advancements in sustainable fuel and chemical production.</div></div>","PeriodicalId":17287,"journal":{"name":"Journal of The Energy Institute","volume":"125 ","pages":"Article 102447"},"PeriodicalIF":6.2,"publicationDate":"2026-04-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145978149","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: 2026-01-17DOI: 10.1016/j.joei.2026.102456
Huijia Liang , Jie Yang , Juan Hou , Changye Han , Lizhuo Peng , Junjie Shi , Liping Ma
Chemical looping technology (CLT) produces flue gas enriched with carbon dioxide, which can then be captured, utilized, or stored. The oxygen carrier (OC) plays a central role in the chemical looping process, but its low activity and short lifespan hinder its industrial application. The existing review literature on CLT primarily focuses on the application of specific OCs and their developmental trends, but lacks a comprehensive summary of OC activity and cycle life. To address the gaps in existing literature, this paper explores the activity and recycling lifespan of OCs in relation to their defects. Furthermore, strategies to improve OC reactivity are discussed, beginning with the selection of active species aided by Ellingham diagrams. The advantages of non-metallic and solid waste-based OCs in chemical looping reactions are compared, along with a summary of strategies to enhance their activity. To prolong the service life of OCs, this paper outlines the primary mechanisms of carrier failure, which are primarily attributed to the combined effects of wear and stress. For different types of stress, targeted solutions are proposed: a supported carrier approach for chemical stress, a core-shell structure for mechanical stress, and elemental doping for thermal stress. Finally, the paper explores the application prospects of solid waste-based OCs and their development towards achieving a tripartite stress equilibrium, thus opening new avenues for the practical application of OCs. These studies contribute to advancing the efficient utilization of chemical looping systems in environmental protection and sustainable energy supply.
{"title":"Reactivity and stability optimization of oxygen carriers in chemical looping systems","authors":"Huijia Liang , Jie Yang , Juan Hou , Changye Han , Lizhuo Peng , Junjie Shi , Liping Ma","doi":"10.1016/j.joei.2026.102456","DOIUrl":"10.1016/j.joei.2026.102456","url":null,"abstract":"<div><div>Chemical looping technology (CLT) produces flue gas enriched with carbon dioxide, which can then be captured, utilized, or stored. The oxygen carrier (OC) plays a central role in the chemical looping process, but its low activity and short lifespan hinder its industrial application. The existing review literature on CLT primarily focuses on the application of specific OCs and their developmental trends, but lacks a comprehensive summary of OC activity and cycle life. To address the gaps in existing literature, this paper explores the activity and recycling lifespan of OCs in relation to their defects. Furthermore, strategies to improve OC reactivity are discussed, beginning with the selection of active species aided by Ellingham diagrams. The advantages of non-metallic and solid waste-based OCs in chemical looping reactions are compared, along with a summary of strategies to enhance their activity. To prolong the service life of OCs, this paper outlines the primary mechanisms of carrier failure, which are primarily attributed to the combined effects of wear and stress. For different types of stress, targeted solutions are proposed: a supported carrier approach for chemical stress, a core-shell structure for mechanical stress, and elemental doping for thermal stress. Finally, the paper explores the application prospects of solid waste-based OCs and their development towards achieving a tripartite stress equilibrium, thus opening new avenues for the practical application of OCs. These studies contribute to advancing the efficient utilization of chemical looping systems in environmental protection and sustainable energy supply.</div></div>","PeriodicalId":17287,"journal":{"name":"Journal of The Energy Institute","volume":"125 ","pages":"Article 102456"},"PeriodicalIF":6.2,"publicationDate":"2026-04-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146034580","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: 2026-01-07DOI: 10.1016/j.joei.2026.102441
Da Cui , Xinpei Zhou , Shuang Wu , Hon Man Luk , Qiuyun Lu , Jingru Bai , Bin Liu , Xiangming Xu , Shuo Pan , Qing Wang , Xuehua Zhang
Co-supercritical water gasification (co-SCWG) of biomass and waste plastics addresses waste management and energy production simultaneously. Using cellulose and polystyrene as model feeds, we couple ReaxFF molecular dynamics (MD) with density functional theory (DFT) to elucidate co-SCWG mechanisms and synergistic effect from 2000 to 4400 K. Products are classified by carbon number and type into 4 different fractions, including heavy oil fraction (C14-C40), light oil fraction (C5-C13), small-molecule gases (C1-C4), and inorganic gases (H2, CO, CO2). In the individual SCWG of cellulose, no heavy oil fraction is produced, and the light oil fraction disappears near 2800 K while production of inorganic gases increase. Individual SCWG of polystyrene shows occurrence of aromatic ring opening above 3200 K. In co-SCWG, the heavy oil fraction disappears by 2800 K and is reduced only 1.1 wt% at 2000 K compared with 4.5 wt% for polystyrene, indicating faster decomposition and pronounced synergistic effects. Product-tracking shows that cellulose acts as an oxygen donor, whereas polystyrene serves as a hydrogen source and releases •H, together boosting H2 production and overall syngas yield. Synergy quantified by deviations between simulated and theoretical yields can be divided into three regimes: at 2000–2400 K, light hydrocarbons exhibit negative synergy and inorganic gases demonstrate slightly positive synergy; at 2600–3400 K both groups are predominantly negative; at 3600–4400 K H2 and CO become increasingly positive, hydrocarbon synergy peaks around 3800–4000 K and then declines, and CO2 remains negative overall. An optimal temperature of 3600 K is identified. DFT calculated energy barriers confirm the rate-determining step under co-SCWG are less energy demanding, with the H2 formation pathway being the most favorable, while the CO2 route is suppressed by hydrogen-radical reduction. These results define key channels and rate-limiting steps at the molecular scale and provide quantitative guidance for maximizing hydrogen production while reducing carbon emissions.
{"title":"Synergistic mechanism and radicals interaction of the Co-SCWG of cellulose and polystyrene based on ReaxFF-MD and DFT","authors":"Da Cui , Xinpei Zhou , Shuang Wu , Hon Man Luk , Qiuyun Lu , Jingru Bai , Bin Liu , Xiangming Xu , Shuo Pan , Qing Wang , Xuehua Zhang","doi":"10.1016/j.joei.2026.102441","DOIUrl":"10.1016/j.joei.2026.102441","url":null,"abstract":"<div><div>Co-supercritical water gasification (co-SCWG) of biomass and waste plastics addresses waste management and energy production simultaneously. Using cellulose and polystyrene as model feeds, we couple ReaxFF molecular dynamics (MD) with density functional theory (DFT) to elucidate co-SCWG mechanisms and synergistic effect from 2000 to 4400 K. Products are classified by carbon number and type into 4 different fractions, including heavy oil fraction (C<sub>14</sub>-C<sub>40</sub>), light oil fraction (C<sub>5</sub>-C<sub>13</sub>), small-molecule gases (C<sub>1</sub>-C<sub>4</sub>), and inorganic gases (H<sub>2</sub>, CO, CO<sub>2</sub>). In the individual SCWG of cellulose, no heavy oil fraction is produced, and the light oil fraction disappears near 2800 K while production of inorganic gases increase. Individual SCWG of polystyrene shows occurrence of aromatic ring opening above 3200 K. In co-SCWG, the heavy oil fraction disappears by 2800 K and is reduced only 1.1 wt% at 2000 K compared with 4.5 wt% for polystyrene, indicating faster decomposition and pronounced synergistic effects. Product-tracking shows that cellulose acts as an oxygen donor, whereas polystyrene serves as a hydrogen source and releases •H, together boosting H<sub>2</sub> production and overall syngas yield. Synergy quantified by deviations between simulated and theoretical yields can be divided into three regimes: at 2000–2400 K, light hydrocarbons exhibit negative synergy and inorganic gases demonstrate slightly positive synergy; at 2600–3400 K both groups are predominantly negative; at 3600–4400 K H<sub>2</sub> and CO become increasingly positive, hydrocarbon synergy peaks around 3800–4000 K and then declines, and CO<sub>2</sub> remains negative overall. An optimal temperature of 3600 K is identified. DFT calculated energy barriers confirm the rate-determining step under co-SCWG are less energy demanding, with the H2 formation pathway being the most favorable, while the CO2 route is suppressed by hydrogen-radical reduction. These results define key channels and rate-limiting steps at the molecular scale and provide quantitative guidance for maximizing hydrogen production while reducing carbon emissions.</div></div>","PeriodicalId":17287,"journal":{"name":"Journal of The Energy Institute","volume":"125 ","pages":"Article 102441"},"PeriodicalIF":6.2,"publicationDate":"2026-04-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145927011","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}
扫码关注我们
求助内容：
应助结果提醒方式：
京公网安备 11010802042870号