Pub Date : 2025-09-04DOI: 10.1016/j.fuproc.2025.108326
Pratikkumar Lakhani, Atthapon Srifa
Ni-Re bimetallic catalysts provide an excellent synergy of hydrogenation activity from Ni and oxophilic acidity from ReOX, allowing for effective conversion of biomass-derived molecules into fuels and chemicals. This review highlights recent developments in Ni-Re catalyst synthesis, structure-performance relationships, and applications in key transformations such as furfural, 5-hydroxymethylfurfural, and levulinic acid upgrading, and hydrodeoxygenation of fatty acid esters. The discussion highlights bifunctional mechanisms, hydrogen spillover, and metal-support interactions in controlling selectivity. Catalyst deactivation challenges and regeneration strategies are also addressed. Finally, future research directions are suggested with emphasis on atomic-scale catalyst design, integration of green hydrogen, and industrial use in sustainable biorefineries.
{"title":"A comprehensive review of the catalytic transformation for biomass derivatives into high-value fuels and chemicals over bimetallic Ni-Re catalysts","authors":"Pratikkumar Lakhani, Atthapon Srifa","doi":"10.1016/j.fuproc.2025.108326","DOIUrl":"10.1016/j.fuproc.2025.108326","url":null,"abstract":"<div><div>Ni-Re bimetallic catalysts provide an excellent synergy of hydrogenation activity from Ni and oxophilic acidity from ReO<sub>X</sub>, allowing for effective conversion of biomass-derived molecules into fuels and chemicals. This review highlights recent developments in Ni-Re catalyst synthesis, structure-performance relationships, and applications in key transformations such as furfural, 5-hydroxymethylfurfural, and levulinic acid upgrading, and hydrodeoxygenation of fatty acid esters. The discussion highlights bifunctional mechanisms, hydrogen spillover, and metal-support interactions in controlling selectivity. Catalyst deactivation challenges and regeneration strategies are also addressed. Finally, future research directions are suggested with emphasis on atomic-scale catalyst design, integration of green hydrogen, and industrial use in sustainable biorefineries.</div></div>","PeriodicalId":326,"journal":{"name":"Fuel Processing Technology","volume":"278 ","pages":"Article 108326"},"PeriodicalIF":7.7,"publicationDate":"2025-09-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144988771","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 : 2025-09-03DOI: 10.1016/j.fuproc.2025.108324
Jie Wang , Wei Wang , Xuheng Chen , Bowen Chen , Runsheng Xu
Iron coke has attracted attention as a low-carbon ironmaking fuel due to its high reactivity and efficient resource utilization. However, the structural characteristics of iron coke after gasification and their effect mechanisms affecting subsequent combustion remain unclear. This study investigated the effects of gasification on the carbon structure of iron coke using XRD and Raman spectroscopy, and revealed the influence mechanism of carbon structure on combustion behavior and kinetics through combined thermogravimetric analysis, ReaxFF MD, and DFT calculations. The results demonstrate that the gasification reaction catalyzed by iron/iron oxides induces more defects in the carbon structure of iron coke. The higher the gasification degree of iron coke, the greater its following combustion reactivity. Increasing the heating rate in the non-isothermal combustion process can markedly enhance the combustion performance of iron coke. ReaxFF MD simulations reveal that oxygen radicals preferentially attack and react with vacancy defects in the carbon structure, which is the primary reason for the increased reactivity of defective structures. Due to the curling effect between carbon layers, the activation energy during combustion initially increases and then decreases with rising carbon conversion. DFT calculations indicate that vacancy defects in the carbon structure play a critical role in enhancing combustion behavior. On one hand, the increased defects provide more active sites, reducing the adsorption energy for O2 molecules. On the other hand, the synergistic effect of van der Waals interactions and chemical bonds in defective carbon structures effectively reduces activation energy for the combustion reaction.
{"title":"Molecular insights into the influence mechanism of carbon structure in iron coke after gasification on its combustion behavior and kinetics: Experiments, ReaxFF MD, and DFT","authors":"Jie Wang , Wei Wang , Xuheng Chen , Bowen Chen , Runsheng Xu","doi":"10.1016/j.fuproc.2025.108324","DOIUrl":"10.1016/j.fuproc.2025.108324","url":null,"abstract":"<div><div>Iron coke has attracted attention as a low-carbon ironmaking fuel due to its high reactivity and efficient resource utilization. However, the structural characteristics of iron coke after gasification and their effect mechanisms affecting subsequent combustion remain unclear. This study investigated the effects of gasification on the carbon structure of iron coke using XRD and Raman spectroscopy, and revealed the influence mechanism of carbon structure on combustion behavior and kinetics through combined thermogravimetric analysis, ReaxFF MD, and DFT calculations. The results demonstrate that the gasification reaction catalyzed by iron/iron oxides induces more defects in the carbon structure of iron coke. The higher the gasification degree of iron coke, the greater its following combustion reactivity. Increasing the heating rate in the non-isothermal combustion process can markedly enhance the combustion performance of iron coke. ReaxFF MD simulations reveal that oxygen radicals preferentially attack and react with vacancy defects in the carbon structure, which is the primary reason for the increased reactivity of defective structures. Due to the curling effect between carbon layers, the activation energy during combustion initially increases and then decreases with rising carbon conversion. DFT calculations indicate that vacancy defects in the carbon structure play a critical role in enhancing combustion behavior. On one hand, the increased defects provide more active sites, reducing the adsorption energy for O<sub>2</sub> molecules. On the other hand, the synergistic effect of van der Waals interactions and chemical bonds in defective carbon structures effectively reduces activation energy for the combustion reaction.</div></div>","PeriodicalId":326,"journal":{"name":"Fuel Processing Technology","volume":"277 ","pages":"Article 108324"},"PeriodicalIF":7.7,"publicationDate":"2025-09-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144931866","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}
Methane dehydroaromatization (MDA) offers a promising route for converting methane into aromatics, yet rapid catalyst deactivation via coking remains a critical barrier. This study addresses this challenge through TPAOH-assisted hierarchical pore engineering of HTNU-9 zeolite. Controlled desilication (0.25 mol/L TPAOH, 24 h) generates micro-mesoporous Mo/HTNU-9-24 while retaining microporous integrity, achieving a 22 % increase in methane conversion (14.7 % vs. 11.4 % for pristine Mo/HTNU-9) at 700 °C. The hierarchical architecture enhances mass transfer and Mo dispersion via synergistic effects. Silanol-rich mesopore surfaces and mild alkalinity stabilize Mo species, selective removal of strong acid sites coupled with spatial confinement of mesopores mitigate coke accumulation. The optimized catalyst exhibits prolonged stability due to restricted Mo agglomeration and efficient carbon precursor diffusion. These findings establish a dual strategy (pore topology control and acid site modulation) to synchronize active center dynamics and coke resistance, advancing the rational design of hierarchical zeolites for industrial MDA applications.
{"title":"Hierarchical Mo/HTNU-9 boosts methane aromatization with mitigated carbon deposition","authors":"Jing Hu, Xiaodong Chen, Chunxue Yang, Jingjing Tian, Xin Kang, Xiaohui Wang, Jinglin Liu","doi":"10.1016/j.fuproc.2025.108323","DOIUrl":"10.1016/j.fuproc.2025.108323","url":null,"abstract":"<div><div>Methane dehydroaromatization (MDA) offers a promising route for converting methane into aromatics, yet rapid catalyst deactivation via coking remains a critical barrier. This study addresses this challenge through TPAOH-assisted hierarchical pore engineering of HTNU-9 zeolite. Controlled desilication (0.25 mol/L TPAOH, 24 h) generates micro-mesoporous Mo/HTNU-9-24 while retaining microporous integrity, achieving a 22 % increase in methane conversion (14.7 % vs. 11.4 % for pristine Mo/HTNU-9) at 700 °C. The hierarchical architecture enhances mass transfer and Mo dispersion via synergistic effects. Silanol-rich mesopore surfaces and mild alkalinity stabilize Mo species, selective removal of strong acid sites coupled with spatial confinement of mesopores mitigate coke accumulation. The optimized catalyst exhibits prolonged stability due to restricted Mo agglomeration and efficient carbon precursor diffusion. These findings establish a dual strategy (pore topology control and acid site modulation) to synchronize active center dynamics and coke resistance, advancing the rational design of hierarchical zeolites for industrial MDA applications.</div></div>","PeriodicalId":326,"journal":{"name":"Fuel Processing Technology","volume":"277 ","pages":"Article 108323"},"PeriodicalIF":7.7,"publicationDate":"2025-09-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144925661","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}
This study presents an intelligent plant-wide decision-support framework, MIRA (Multi-objective Integrated Resource Allocation), which integrates deep learning and thermodynamic process modeling with particle swarm optimization (PSO) to optimize hydrochar production and energy recovery from diverse waste streams. Its hybrid architecture leverages artificial neural networks (ANNs), trained on experimental data but unable to enforce mass-energy conservation, coupling with thermodynamic simulation to ensure mass and energy conservation and thermodynamic consistency. The framework models two major waste valorization pathways: (1) direct combustion with energy recovery, as demonstrated by Thailand's Phuket waste-to-energy plant, and (2) hydrothermal carbonization (HTC) followed by electricity generation. MIRA simultaneously optimizes environmental and economic outcomes by adjusting HTC temperature and hydrochar routing fraction. Scenario-based optimization was applied to three representative feedstocks, organic household waste digestate (OHWD), municipal solid waste (MSW), and agricultural residue (AGR), under CO2-focused, revenue-focused, and balanced objectives. AGR demonstrated the highest responsiveness, achieving up to 3.14 MWh of electricity and $274.2 in revenue per ton of wet feed when prioritizing energy recovery. OHWD showed moderate potential, while MSW performance was limited by high ash and moisture. Overall, MIRA offers a scalable, accurate tool for waste-to-energy optimization, with future extensions to broader thermochemical and infrastructure systems.
{"title":"An intelligent plant-wide decision-support framework for waste valorization: Optimizing hydrochar production and energy recovery","authors":"Prathana Nimmanterdwong , Atthapon Srifa , Tawach Prechthai , Nattapong Tuntiwiwattanapun , Ratchanon Piemjaiswang , Bor-Yih Yu , Phuwadej Pornaroontham , Teerawat Sema , Benjapon Chalermsinsuwan , Pornpote Piumsomboon","doi":"10.1016/j.fuproc.2025.108320","DOIUrl":"10.1016/j.fuproc.2025.108320","url":null,"abstract":"<div><div>This study presents an intelligent plant-wide decision-support framework, MIRA (Multi-objective Integrated Resource Allocation), which integrates deep learning and thermodynamic process modeling with particle swarm optimization (PSO) to optimize hydrochar production and energy recovery from diverse waste streams. Its hybrid architecture leverages artificial neural networks (ANNs), trained on experimental data but unable to enforce mass-energy conservation, coupling with thermodynamic simulation to ensure mass and energy conservation and thermodynamic consistency. The framework models two major waste valorization pathways: (1) direct combustion with energy recovery, as demonstrated by Thailand's Phuket waste-to-energy plant, and (2) hydrothermal carbonization (HTC) followed by electricity generation. MIRA simultaneously optimizes environmental and economic outcomes by adjusting HTC temperature and hydrochar routing fraction. Scenario-based optimization was applied to three representative feedstocks, organic household waste digestate (OHWD), municipal solid waste (MSW), and agricultural residue (AGR), under CO<sub>2</sub>-focused, revenue-focused, and balanced objectives. AGR demonstrated the highest responsiveness, achieving up to 3.14 MWh of electricity and $274.2 in revenue per ton of wet feed when prioritizing energy recovery. OHWD showed moderate potential, while MSW performance was limited by high ash and moisture. Overall, MIRA offers a scalable, accurate tool for waste-to-energy optimization, with future extensions to broader thermochemical and infrastructure systems.</div></div>","PeriodicalId":326,"journal":{"name":"Fuel Processing Technology","volume":"277 ","pages":"Article 108320"},"PeriodicalIF":7.7,"publicationDate":"2025-08-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144917814","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 : 2025-08-30DOI: 10.1016/j.fuproc.2025.108321
Sifan Sun , Jun Dong , Weihong Zhang , Guohao Shao , Chenlu Li , Yan Li
In recent years, CO₂ emission has been a global consensus that it is urgent to reduce CO₂ emissions and realize CO₂ resource utilization. However, current technologies for CO₂ reduction have the problems of high energy input, high operational costs, and a risk of secondary pollution. Microbial electrosynthesis (MES) combines the metabolic activities of microorganisms on electrodes with electrical energy to convert CO₂ into organics. Although MES has the advantages of mild reaction conditions, low operational cost, and potential for high-value-added products, it still confronts obstacles like low electron transfer efficiency, low conversion rate, improper reactor design and operation, etc. Therefore, this paper provided a comprehensive review of MES with CO2 conversion, aiming to identify the determinants of the process and exploit its future research directions. There are three tasks in this review: Firstly, typical fatty acid and alcohol production (3.5 to 5700 mg L−1 d−1) from MES and their metabolic pathways were introduced elaborately. Secondly, the determining factors of MES, such as reactor configuration, electrode material, cathodic potential (generally −0.8 to −1.2 V vs. Ag/AgCl), and coulombic efficiency (17.6 % to 113.6 %), were comprehensively discussed. Finally, challenges of microbial electrochemical reduction of CO₂ were discussed, and future research directions were proposed.
近年来，减少CO₂排放，实现CO₂资源化利用已成为全球共识。但是，目前的CO₂减少技术存在能源投入高、运营费用高、二次污染风险大等问题。微生物电合成（MES）将微生物在电极上的代谢活动与电能结合起来，将CO₂转化为有机物。MES虽然具有反应条件温和、运行成本低、高附加值产品潜力等优点，但仍存在电子传递效率低、转化率低、反应器设计和操作不当等障碍。因此，本文对具有CO2转化的MES进行了全面的综述，旨在找出这一过程的决定因素并探索其未来的研究方向。本文主要有三个方面的工作：首先，详细介绍了MES的典型脂肪酸和酒精产量（3.5 ~ 5700 mg L−1 d−1）及其代谢途径。其次，对反应器结构、电极材料、阴极电位（一般为−0.8 ~−1.2 V vs. Ag/AgCl）和库仑效率（17.6% ~ 113.6%）等影响MES性能的因素进行了综合讨论。最后，讨论了微生物电化学还原CO₂面临的挑战，并提出了未来的研究方向。
{"title":"Microbial electrosynthesis of CO₂ to multiple carbon products: Metabolic pathways, key factors, and sustainable prospects","authors":"Sifan Sun , Jun Dong , Weihong Zhang , Guohao Shao , Chenlu Li , Yan Li","doi":"10.1016/j.fuproc.2025.108321","DOIUrl":"10.1016/j.fuproc.2025.108321","url":null,"abstract":"<div><div>In recent years, CO₂ emission has been a global consensus that it is urgent to reduce CO₂ emissions and realize CO₂ resource utilization. However, current technologies for CO₂ reduction have the problems of high energy input, high operational costs, and a risk of secondary pollution. Microbial electrosynthesis (MES) combines the metabolic activities of microorganisms on electrodes with electrical energy to convert CO₂ into organics. Although MES has the advantages of mild reaction conditions, low operational cost, and potential for high-value-added products, it still confronts obstacles like low electron transfer efficiency, low conversion rate, improper reactor design and operation, etc. Therefore, this paper provided a comprehensive review of MES with CO<sub>2</sub> conversion, aiming to identify the determinants of the process and exploit its future research directions. There are three tasks in this review: Firstly, typical fatty acid and alcohol production (3.5 to 5700 mg L<sup>−1</sup> d<sup>−1</sup>) from MES and their metabolic pathways were introduced elaborately. Secondly, the determining factors of MES, such as reactor configuration, electrode material, cathodic potential (generally −0.8 to −1.2 V vs. Ag/AgCl), and coulombic efficiency (17.6 % to 113.6 %), were comprehensively discussed. Finally, challenges of microbial electrochemical reduction of CO₂ were discussed, and future research directions were proposed.</div></div>","PeriodicalId":326,"journal":{"name":"Fuel Processing Technology","volume":"277 ","pages":"Article 108321"},"PeriodicalIF":7.7,"publicationDate":"2025-08-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144919808","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 : 2025-08-29DOI: 10.1016/j.fuproc.2025.108315
Muhammad Mubashir , Dekui Shen , Muhammad Aurangzeb , Sheeraz Iqbal , Md Shafiullah , Aymen Flah , Habib Kraiem
The decarbonization of industrial combustion systems demands fuel strategies that reduce greenhouse gas emissions while maintaining high efficiency and operational stability. This study explores the catalytic combustion behavior of ternary CH4/H2/NH3 fuel blends using high-fidelity Large Eddy Simulation (LES) integrated with a validated reduced chemical mechanism (51 species, 420 reactions). The focus is to overcome ammonia's inherent limitations: low reactivity, high ignition temperature (> 650 °C), and elevated NOx formation, by leveraging catalytic surface interactions. A novel staged catalyst configuration based on Ni-Cu/Fe2O3 is proposed, with upstream NH3 decomposition and downstream NOx reduction zones. Parametric simulations reveal that a 30:30:40 volumetric fuel blend (CH4:H2:NH3) achieves optimal performance, yielding combustion efficiency above 97 %, NOx emissions below 30 ppm, and NH3 slip under 15 ppm. Catalyst staging improves performance over uniform coating, reducing NOx by 79.3 % and NH3 slip by 56.1 %. Stability maps indicate extended flame anchoring over a wide equivalence ratio range (0.65–1.1) and inlet velocities up to 25 m/s. A comprehensive reaction pathway analysis attributes 65 % of NOx to fuel NO, 25 % to thermal NO, and 10 % to prompt NO mechanisms. Catalytic activity proves most effective within the 550–650 K surface temperature window. The results highlight a scalable pathway for integrating catalytic combustion in low-carbon energy systems and establish a foundation for future experimental validation. This work offers practical insight for transitioning toward cleaner combustion technologies, particularly in ammonia-assisted hybrid fuels for advanced burners, reformers, and industrial heating applications.
{"title":"CFD-guided catalytic combustion optimization of CH4/H2/NH3 blends using staged Ni-based catalysts: Insights into NOx mitigation and efficiency enhancement","authors":"Muhammad Mubashir , Dekui Shen , Muhammad Aurangzeb , Sheeraz Iqbal , Md Shafiullah , Aymen Flah , Habib Kraiem","doi":"10.1016/j.fuproc.2025.108315","DOIUrl":"10.1016/j.fuproc.2025.108315","url":null,"abstract":"<div><div>The decarbonization of industrial combustion systems demands fuel strategies that reduce greenhouse gas emissions while maintaining high efficiency and operational stability. This study explores the catalytic combustion behavior of ternary CH<sub>4</sub>/H<sub>2</sub>/NH<sub>3</sub> fuel blends using high-fidelity Large Eddy Simulation (LES) integrated with a validated reduced chemical mechanism (51 species, 420 reactions). The focus is to overcome ammonia's inherent limitations: low reactivity, high ignition temperature (> 650 °C), and elevated NO<sub>x</sub> formation, by leveraging catalytic surface interactions. A novel staged catalyst configuration based on Ni-Cu/Fe<sub>2</sub>O<sub>3</sub> is proposed, with upstream NH<sub>3</sub> decomposition and downstream NO<sub>x</sub> reduction zones. Parametric simulations reveal that a 30:30:40 volumetric fuel blend (CH<sub>4</sub>:H<sub>2</sub>:NH<sub>3</sub>) achieves optimal performance, yielding combustion efficiency above 97 %, NO<sub>x</sub> emissions below 30 ppm, and NH<sub>3</sub> slip under 15 ppm. Catalyst staging improves performance over uniform coating, reducing NO<sub>x</sub> by 79.3 % and NH<sub>3</sub> slip by 56.1 %. Stability maps indicate extended flame anchoring over a wide equivalence ratio range (0.65–1.1) and inlet velocities up to 25 m/s. A comprehensive reaction pathway analysis attributes 65 % of NO<sub>x</sub> to fuel NO, 25 % to thermal NO, and 10 % to prompt NO mechanisms. Catalytic activity proves most effective within the 550–650 K surface temperature window. The results highlight a scalable pathway for integrating catalytic combustion in low-carbon energy systems and establish a foundation for future experimental validation. This work offers practical insight for transitioning toward cleaner combustion technologies, particularly in ammonia-assisted hybrid fuels for advanced burners, reformers, and industrial heating applications.</div></div>","PeriodicalId":326,"journal":{"name":"Fuel Processing Technology","volume":"277 ","pages":"Article 108315"},"PeriodicalIF":7.7,"publicationDate":"2025-08-29","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144911917","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 : 2025-08-28DOI: 10.1016/j.fuproc.2025.108317
Peng Gan, Kai Zhang, Jingli Yang, Baobin Wang, Guihua Yang, Chengcheng Qiao, Lei Zhang, Jiachuan Chen
The application of biorefinery technologies to convert xylo-oligosaccharide (XOS) from pulping process into biofuels or high-value chemicals holds significant potential for extending the value chain of the pulp and paper industry, while simultaneously promoting sustainability. In this study, a series of dual-acid functionalized covalent organic frameworks (COFs) were synthesized to catalyze the one-step liquid-phase conversion of XOS into furfural. The results indicated that TAPT-DHPA exhibited exceptional catalytic activity, achieving a furfural yield of 78.6 % at 180 °C for 3 h with 0.16 wt% catalyst. Furthermore, TAPT-DHPA demonstrated excellent stability, maintaining a furfural yield above 77 % after six reuse cycles. Bader charge analysis via VASP software revealed the presence of both Brønsted and Lewis acid active sites in TAPT-DHPA, arising from the ionization of hydrogen in phenolic hydroxyl groups and the strong electron-withdrawing nature of the triazine ring, respectively. These characteristics are key factors in TAPT-DHPA's superior catalytic performance. Density functional theory calculations confirmed that the most favorable pathway for furfural production involves a cyclic anhydride intermediate, with the rate-limiting step being the initial dehydration of D-xylose triggered by proton attack on the 2-OH group. The addition of TAPT-DHPA reduced the activation energy of this rate-limiting step by 54.43 %.
{"title":"Catalytic conversion of eucalyptus pre-hydrolysis liquor-derived xylo-oligosaccharides to furfural using dual-acidic functionalized covalent organic frameworks","authors":"Peng Gan, Kai Zhang, Jingli Yang, Baobin Wang, Guihua Yang, Chengcheng Qiao, Lei Zhang, Jiachuan Chen","doi":"10.1016/j.fuproc.2025.108317","DOIUrl":"10.1016/j.fuproc.2025.108317","url":null,"abstract":"<div><div>The application of biorefinery technologies to convert xylo-oligosaccharide (XOS) from pulping process into biofuels or high-value chemicals holds significant potential for extending the value chain of the pulp and paper industry, while simultaneously promoting sustainability. In this study, a series of dual-acid functionalized covalent organic frameworks (COFs) were synthesized to catalyze the one-step liquid-phase conversion of XOS into furfural. The results indicated that TAPT-DHPA exhibited exceptional catalytic activity, achieving a furfural yield of 78.6 % at 180 °C for 3 h with 0.16 wt% catalyst. Furthermore, TAPT-DHPA demonstrated excellent stability, maintaining a furfural yield above 77 % after six reuse cycles. Bader charge analysis via VASP software revealed the presence of both Brønsted and Lewis acid active sites in TAPT-DHPA, arising from the ionization of hydrogen in phenolic hydroxyl groups and the strong electron-withdrawing nature of the triazine ring, respectively. These characteristics are key factors in TAPT-DHPA's superior catalytic performance. Density functional theory calculations confirmed that the most favorable pathway for furfural production involves a cyclic anhydride intermediate, with the rate-limiting step being the initial dehydration of D-xylose triggered by proton attack on the 2-OH group. The addition of TAPT-DHPA reduced the activation energy of this rate-limiting step by 54.43 %.</div></div>","PeriodicalId":326,"journal":{"name":"Fuel Processing Technology","volume":"277 ","pages":"Article 108317"},"PeriodicalIF":7.7,"publicationDate":"2025-08-28","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144911916","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 : 2025-08-28DOI: 10.1016/j.fuproc.2025.108316
Thomas Bertus , Jérôme Lémonon , F. Javier Escudero Sanz , Sylvain Salvador
Particle boards, wastes made out of wood particles bonded with nitrogen-rich adhesives, produce high NOx emissions during combustion, requiring control in biomass grate furnaces. However, the diversity of particle board feedstocks has often been overlooked, and the specific effects of different types have not been studied, despite accounting for over 10 % of the total volume.
This work analyzes nitrogen behavior during combustion of standard, moisture-resistant, and fire-retardant particle boards. The combustion process was investigated as a whole, but also by proceeding separately to pyrolysis and char oxidation experiments. Thermogravimetric analysis and experiments conducted in a cross-fired fixed bed reactor were performed under both air and inert (N2) atmospheres. The nitrogen content in various combustion products (incondensable gases, condensates, and residual solids) was quantified to assess the impact of chemical treatments on nitrogen fate.
Results showed that standard and moisture-resistant particle boards showed comparable combustion behaviors. Notable differences emerged during the combustion of fire-retardant particle boards, likely due to the influence of fire-retardant agents. In these cases, a slower heating rate within the bed and reduced hydrogen cyanide (HCN) emissions were observed compared to the other two types. Across all experiments, most of the nitrogen released was found in condensates
{"title":"Impact of the type of particle boards on the nitrogen fate during their pyrolysis and combustion","authors":"Thomas Bertus , Jérôme Lémonon , F. Javier Escudero Sanz , Sylvain Salvador","doi":"10.1016/j.fuproc.2025.108316","DOIUrl":"10.1016/j.fuproc.2025.108316","url":null,"abstract":"<div><div>Particle boards, wastes made out of wood particles bonded with nitrogen-rich adhesives, produce high NOx emissions during combustion, requiring control in biomass grate furnaces. However, the diversity of particle board feedstocks has often been overlooked, and the specific effects of different types have not been studied, despite accounting for over 10 % of the total volume.</div><div>This work analyzes nitrogen behavior during combustion of standard, moisture-resistant, and fire-retardant particle boards. The combustion process was investigated as a whole, but also by proceeding separately to pyrolysis and char oxidation experiments. Thermogravimetric analysis and experiments conducted in a cross-fired fixed bed reactor were performed under both air and inert (N2) atmospheres. The nitrogen content in various combustion products (incondensable gases, condensates, and residual solids) was quantified to assess the impact of chemical treatments on nitrogen fate.</div><div>Results showed that standard and moisture-resistant particle boards showed comparable combustion behaviors. Notable differences emerged during the combustion of fire-retardant particle boards, likely due to the influence of fire-retardant agents. In these cases, a slower heating rate within the bed and reduced hydrogen cyanide (HCN) emissions were observed compared to the other two types. Across all experiments, most of the nitrogen released was found in condensates</div></div>","PeriodicalId":326,"journal":{"name":"Fuel Processing Technology","volume":"277 ","pages":"Article 108316"},"PeriodicalIF":7.7,"publicationDate":"2025-08-28","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144907505","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 : 2025-08-27DOI: 10.1016/j.fuproc.2025.108314
Shahenda Mahran , Maria Centeno , Attia Attia , Basudeb Saha
The utilisation of heterogeneous catalysts in producing fatty acid monomers can minimise the separation cost and hence reduce the price of the fatty acid monomers. This study reports for the first time a novel, environmentally benign, highly active copper oxide-silica oxide/reduced graphene oxide (CuO-SiO2/RGO), heterogeneous nano-catalyst derived from waste pomegranate peels, for the one-pot, low-temperature synthesis of fatty acid monomers from high-acid-value waste vegetable oil (WVO). The synthesised nano-catalyst was extensively characterised using XRD, FT-IR, TEM, SEM, EDX and TGA-DTA. Further, it was utilised to synthesise fatty acid-rich oleic phenoxypropyl acrylate (OPA) monomer from high acid value WVO via a single-step reaction. The process parameters for the synthesis of OPA monomer using CuO-SiO2/RGO catalyst have been optimised using response surface methodology (RSM) and found to be 8.5:1 reactant molar ratio, 3.5 % (w/w) catalyst loading, 54 °C temperature, and 9.5 h reaction time, where the highest OPA monomer yield was 95.73 % under optimum conditions. The CuO-SiO2/RGO exhibited stable catalytic performance after regeneration with an OPA yield of 93.1 ± 0.37 % after five consecutive runs. The plausible reaction mechanism unveiled that the direct synthesis of OPA monomer from high acid value WVO occurred through both transesterification and esterification reactions simultaneously on the surface of CuO and SiO2 catalyst supported on RGO sheets. The adaptation of waste pomegranate peels into a high-value CuO-SiO2/RGO nano-catalyst offers a new direction for clean, one-pot and low-temperature production of sustainable fatty acid monomers from high-acid-value WVO.
{"title":"Upcycling Waste to Wealth: CuO-SiO₂/reduced graphene nanocomposite from pomegranate peels for one-pot low-temperature conversion of waste oils into valuable fatty acid monomers","authors":"Shahenda Mahran , Maria Centeno , Attia Attia , Basudeb Saha","doi":"10.1016/j.fuproc.2025.108314","DOIUrl":"10.1016/j.fuproc.2025.108314","url":null,"abstract":"<div><div>The utilisation of heterogeneous catalysts in producing fatty acid monomers can minimise the separation cost and hence reduce the price of the fatty acid monomers. This study reports for the first time a novel, environmentally benign, highly active copper oxide-silica oxide/reduced graphene oxide (CuO-SiO<sub>2</sub>/RGO), heterogeneous nano-catalyst derived from waste pomegranate peels, for the one-pot, low-temperature synthesis of fatty acid monomers from high-acid-value waste vegetable oil (WVO). The synthesised nano-catalyst was extensively characterised using XRD, FT-IR, TEM, SEM, EDX and TGA-DTA. Further, it was utilised to synthesise fatty acid-rich oleic phenoxypropyl acrylate (OPA) monomer from high acid value WVO via a single-step reaction. The process parameters for the synthesis of OPA monomer using CuO-SiO<sub>2</sub>/RGO catalyst have been optimised using response surface methodology (RSM) and found to be 8.5:1 reactant molar ratio, 3.5 % (<em>w</em>/w) catalyst loading, 54 °C temperature, and 9.5 h reaction time, where the highest OPA monomer yield was 95.73 % under optimum conditions. The CuO-SiO<sub>2</sub>/RGO exhibited stable catalytic performance after regeneration with an OPA yield of 93.1 ± 0.37 % after five consecutive runs. The plausible reaction mechanism unveiled that the direct synthesis of OPA monomer from high acid value WVO occurred through both transesterification and esterification reactions simultaneously on the surface of CuO and SiO2 catalyst supported on RGO sheets. The adaptation of waste pomegranate peels into a high-value CuO-SiO<sub>2</sub>/RGO nano-catalyst offers a new direction for clean, one-pot and low-temperature production of sustainable fatty acid monomers from high-acid-value WVO.</div></div>","PeriodicalId":326,"journal":{"name":"Fuel Processing Technology","volume":"277 ","pages":"Article 108314"},"PeriodicalIF":7.7,"publicationDate":"2025-08-27","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144903089","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 : 2025-08-27DOI: 10.1016/j.fuproc.2025.108319
Wenxuan Zhou , Yinhu Kang , Jiuyi Zhang , Haoran Wang , Xiaomei Huang , Xiaofeng Lu
Ammonia and hydrogen are two most promising carbon-free fuels emerging in recent years, and their co-combustion is well recognized as an efficient approach to solve the issues associated with ammonia's poor combustion behaviors. This study emphasizes fundamentally the combustion properties, particularly the stretch-induced extinction limit as well as the underlying physical mechanism of the NH3/H2/air laminar counterflow premixed flames by carrying out simulations with detailed fuel chemistry and transport models. The results demonstrate that hydrogen addition significantly extends the ammonia flame extinction strain rate, with the equivalence ratio corresponding to the maximum extinction strain rate shifting toward leaner stoichiometry as hydrogen addition increases. The combination of thermal, chemical, and transport effects of hydrogen enhances the NH3/H2 premixed flame stability. More specifically, the contribution of thermal effect to extinction prevails under the fuel-rich condition, decreasing with the decrement of equivalence ratio. The effective Lewis number of the premixture is responsible for the distinct thermal effect response behaviors in fuel-lean condition compared with the stoichiometric and rich conditions. By comparatively analyzing chemical kinetics and flame structure between the strongly-stable and near-extinction flames, it elucidates the governing chemical pathways and critical radical interactions responsible for the NH3/H2 stretched premixed flame extinction.
{"title":"Numerical study on stretch extinction mechanism of NH3/H2/air laminar counterflow premixed flames","authors":"Wenxuan Zhou , Yinhu Kang , Jiuyi Zhang , Haoran Wang , Xiaomei Huang , Xiaofeng Lu","doi":"10.1016/j.fuproc.2025.108319","DOIUrl":"10.1016/j.fuproc.2025.108319","url":null,"abstract":"<div><div>Ammonia and hydrogen are two most promising carbon-free fuels emerging in recent years, and their co-combustion is well recognized as an efficient approach to solve the issues associated with ammonia's poor combustion behaviors. This study emphasizes fundamentally the combustion properties, particularly the stretch-induced extinction limit as well as the underlying physical mechanism of the NH<sub>3</sub>/H<sub>2</sub>/air laminar counterflow premixed flames by carrying out simulations with detailed fuel chemistry and transport models. The results demonstrate that hydrogen addition significantly extends the ammonia flame extinction strain rate, with the equivalence ratio corresponding to the maximum extinction strain rate shifting toward leaner stoichiometry as hydrogen addition increases. The combination of thermal, chemical, and transport effects of hydrogen enhances the NH<sub>3</sub>/H<sub>2</sub> premixed flame stability. More specifically, the contribution of thermal effect to extinction prevails under the fuel-rich condition, decreasing with the decrement of equivalence ratio. The effective Lewis number of the premixture is responsible for the distinct thermal effect response behaviors in fuel-lean condition compared with the stoichiometric and rich conditions. By comparatively analyzing chemical kinetics and flame structure between the strongly-stable and near-extinction flames, it elucidates the governing chemical pathways and critical radical interactions responsible for the NH<sub>3</sub>/H<sub>2</sub> stretched premixed flame extinction.</div></div>","PeriodicalId":326,"journal":{"name":"Fuel Processing Technology","volume":"277 ","pages":"Article 108319"},"PeriodicalIF":7.7,"publicationDate":"2025-08-27","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144907504","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}
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