Pub Date : 2024-11-29DOI: 10.1016/j.fuel.2024.133897
Nelly Pérez-Rangel , Christian Coronado , Jorge Ancheyta
The hydrotreating (HDT) process is increasingly implemented due to its versatility in producing renewable diesel and its flexibility with various raw materials. Impurities in vegetable oils can disrupt the HDT process, necessitating a pretreatment stage to ensure optimal performance, catalyst and equipment preservation, and achieve high yields. While laboratory-scale studies often overlook pretreatment due to minimal impacts on production costs and the use of pre-refined oils, industrial processes are designed and tailored to optimize the purification step for efficiency and cost-effectiveness. This study discusses the effect of impurities such as phospholipids, metals, and free fatty acids (FFA) on HDT and outlines effective pretreatment methods. Removing impurities is critical as they can deactivate sulfur-based catalysts, promote coke formation, and initiate oligomerization. The introduction of dimethyl disulfide (DMDS) and co-processing with sulfur-containing petroleum fractions are examined for their effectiveness in mitigating catalyst deactivation. The two-stage HDT, or pre-HDT, which is emphasized for lowering coke formation and increasing hydrogen availability, is also covered. The study emphasizes the importance of tailored pretreatment strategies for different raw material, including used cooking oil (UCO), to enhance HDT efficiency and extend catalyst life.
{"title":"Approaches to conditioning of vegetable oil feedstock for hydrotreating to produce renewable diesel","authors":"Nelly Pérez-Rangel , Christian Coronado , Jorge Ancheyta","doi":"10.1016/j.fuel.2024.133897","DOIUrl":"10.1016/j.fuel.2024.133897","url":null,"abstract":"<div><div>The hydrotreating (HDT) process is increasingly implemented due to its versatility in producing renewable diesel and its flexibility with various raw materials. Impurities in vegetable oils can disrupt the HDT process, necessitating a pretreatment stage to ensure optimal performance, catalyst and equipment preservation, and achieve high yields. While laboratory-scale studies often overlook pretreatment due to minimal impacts on production costs and the use of pre-refined oils, industrial processes are designed and tailored to optimize the purification step for efficiency and cost-effectiveness. This study discusses the effect of impurities such as phospholipids, metals, and free fatty acids (FFA) on HDT and outlines effective pretreatment methods. Removing impurities is critical as they can deactivate sulfur-based catalysts, promote coke formation, and initiate oligomerization. The introduction of dimethyl disulfide (DMDS) and co-processing with sulfur-containing petroleum fractions are examined for their effectiveness in mitigating catalyst deactivation. The two-stage HDT, or pre-HDT, which is emphasized for lowering coke formation and increasing hydrogen availability, is also covered. The study emphasizes the importance of tailored pretreatment strategies for different raw material, including used cooking oil (UCO), to enhance HDT efficiency and extend catalyst life.</div></div>","PeriodicalId":325,"journal":{"name":"Fuel","volume":"383 ","pages":"Article 133897"},"PeriodicalIF":6.7,"publicationDate":"2024-11-29","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142744822","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"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 : 2024-11-29DOI: 10.1016/j.fuel.2024.133889
Botao He, Yong Xue, Xi Lu, Liang Zhao, Chunlin Jin, Peng Wang, Pei Li, Wenhao Liu, Wenping Yin, Tao Yuan
Methane (CH4) ranks as the second most abundant greenhouse gas globally, following carbon dioxide (CO2), constituting approximately one-sixth of total greenhouse gas emissions. While CH4 levels in the atmosphere are lower compared to CO2, the warming potential of CH4 greatly surpasses that of CO2. With a relatively short atmospheric lifespan of approximately 12 years, mitigating CH4 emissions presents a viable means to alleviate the impacts of climate change on human populations within a concise timeframe. The atmospheric sources of CH4 primarily stem from two categories: natural and anthropogenic. A small number of super-emitters frequently contribute significantly to the overall regional emissions. Monitoring and repairing leaks from super emitters of CH4 is a low-cost and effective way to slow down the greenhouse effect. Remote sensing satellites have gradually become an effective means of monitoring CH4 leakage due to their low cost and large coverage. There is a range of satellites that can be used to monitor CH4 concentrations and emissions, such as Sentinel-5P, GOSAT, GHGSat, Sentinel-2, GaoFen-5, Landsat, and so on. Because the pixel resolution is rough (about 7 km), Sentinel-5P (S5P) can only identify high-value CH4 anomalies in some areas, making it difficult to identify and monitor point source CH4 emission plumes. Sentinel-2(S2) can accurately detect CH4 leakage in band-11 and band-12 with high pixel resolution (about 20 m) but with every 5-day revisit time. In this paper, we monitored and quantified oil and gas field CH4 leakage using a combination of S5P and S2 data by taking advantage of the high temporal resolution (daily) of S5P and high spatial resolution (20 m) of S2. We used S5P data to find CH4 anomalies. Then we used S2 to zoom in on this location to find CH4 plumes. We used three different methods: Single-band–multi-pass (SBMP), Multi-band–single-pass (MBSP), and Multi-band-multi-pass (MBMP) to identify CH4 plumes. Using these methods, we successfully monitored three emission source cases (Algeria, Mexico, and Turkmenistan) and discussed them. Through the above three cases, we can conclude that the MBMP method has higher stability in identifying S2 CH4 plumes.
{"title":"Monitoring oil and gas field CH4 leaks by Sentinel-5P and Sentinel-2","authors":"Botao He, Yong Xue, Xi Lu, Liang Zhao, Chunlin Jin, Peng Wang, Pei Li, Wenhao Liu, Wenping Yin, Tao Yuan","doi":"10.1016/j.fuel.2024.133889","DOIUrl":"10.1016/j.fuel.2024.133889","url":null,"abstract":"<div><div>Methane (CH<sub>4</sub>) ranks as the second most abundant greenhouse gas globally, following carbon dioxide (CO<sub>2</sub>), constituting approximately one-sixth of total greenhouse gas emissions. While CH<sub>4</sub> levels in the atmosphere are lower compared to CO<sub>2</sub>, the warming potential of CH<sub>4</sub> greatly surpasses that of CO<sub>2</sub>. With a relatively short atmospheric lifespan of approximately 12 years, mitigating CH<sub>4</sub> emissions presents a viable means to alleviate the impacts of climate change on human populations within a concise timeframe. The atmospheric sources of CH<sub>4</sub> primarily stem from two categories: natural and anthropogenic. A small number of super-emitters frequently contribute significantly to the overall regional emissions. Monitoring and repairing leaks from super emitters of CH<sub>4</sub> is a low-cost and effective way to slow down the greenhouse effect. Remote sensing satellites have gradually become an effective means of monitoring CH<sub>4</sub> leakage due to their low cost and large coverage. There is a range of satellites that can be used to monitor CH<sub>4</sub> concentrations and emissions, such as Sentinel-5P, GOSAT, GHGSat, Sentinel-2, GaoFen-5, Landsat, and so on. Because the pixel resolution is rough (about 7 km), Sentinel-5P (S5P) can only identify high-value CH<sub>4</sub> anomalies in some areas, making it difficult to identify and monitor point source CH<sub>4</sub> emission plumes. Sentinel-2(S2) can accurately detect CH<sub>4</sub> leakage in band-11 and band-12 with high pixel resolution (about 20 m) but with every 5-day revisit time. In this paper, we monitored and quantified oil and gas field CH<sub>4</sub> leakage using a combination of S5P and S2 data by taking advantage of the high temporal resolution (daily) of S5P and high spatial resolution (20 m) of S2. We used S5P data to find CH<sub>4</sub> anomalies. Then we used S2 to zoom in on this location to find CH<sub>4</sub> plumes. We used three different methods: Single-band–multi-pass (SBMP), Multi-band–single-pass (MBSP), and Multi-band-multi-pass (MBMP) to identify CH<sub>4</sub> plumes. Using these methods, we successfully monitored three emission source cases (Algeria, Mexico, and Turkmenistan) and discussed them. Through the above three cases, we can conclude that the MBMP method has higher stability in identifying S2 CH<sub>4</sub> plumes.</div></div>","PeriodicalId":325,"journal":{"name":"Fuel","volume":"383 ","pages":"Article 133889"},"PeriodicalIF":6.7,"publicationDate":"2024-11-29","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142744650","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"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 : 2024-11-29DOI: 10.1016/j.fuel.2024.133903
Nazli Kesan Celik , Sena Yasyerli , Huseyin Arbag , H.Mehmet Tasdemir , Nail Yasyerli
In this study, alumina-supported bimetallic Ni-Cu and trimetallic Ni-Cu-Ce catalysts were synthesized to improve catalysts resistant to coke formation and sulfur poisoning for dry reforming of methane (DRM). The effects of parameters such as feed composition, synthesis method, and H2S concentration using the catalyst with the best activity were also investigated. To determine the physical and chemical properties of the synthesized catalysts, XRD, N2 adsorption–desorption, TGA-DTA, ICP-OES, SEM-EDX, XPS, and DRIFTS analyses were performed. XRD analysis showed that the fresh Ni-Cu catalysts have elemental nickel and γ-alumina phases in their structures. In addition to these structures, the CeO2 crystal structure was determined for the Ni-Cu-Ce catalyst. Type IV isotherm with H1 hysteresis indicating uniform mesoporous structure was obtained with all the catalysts. The activities of the synthesized catalysts in DRM were performed in the presence of different concentrations of H2S (2 ppm, 50 ppm, and 500 ppm) in a fixed bed reactor at 750 °C using a gas chromatography-equipped system. The alumina-supported 8Ni-3Cu-8Ce catalyst prepared by the impregnation method exhibited a higher and more stable activity comparing the bimetallic Ni-Cu catalyst in the presence of H2S. Adding copper and cerium to the nickel catalyst has a curative effect on resistance to coke formation and sulfur poisoning. Excess CO2 in the feed stream increased the H2S poisoning resistance of the catalyst. To analyze the reactor exit stream in catalytic activity using different feed stream compositions such as H2S+He, H2S+CO2+He, and H2S+CO2+CH4+He, FTIR with a gas cell was used. The formation of carbonyl sulfide (COS) and H2O, which occurs due to the possible reaction between CO2 and H2S, was observed. Regeneration studies showed that the catalyst could undergo regeneration with a low oxygen concentration (0.3 % O2 in He). 8Ni-3Cu-8Ce@SGA, which gave 71 % CH4 conversion in the first minute of the reaction test in the presence of 50 ppm H2S, was regenerated after completely losing its activity at the end of 5 h. 66 % CH4 conversion was achieved when tested again in the absence of H2S (CH4/CO2/Ar:1/1/1). The 8Ni-3Cu-8Ce@SGA catalyst was deemed worthy of investigation for industrial applications.
{"title":"Regenerable nickel catalysts strengthened against H2S poisoning in dry reforming of methane","authors":"Nazli Kesan Celik , Sena Yasyerli , Huseyin Arbag , H.Mehmet Tasdemir , Nail Yasyerli","doi":"10.1016/j.fuel.2024.133903","DOIUrl":"10.1016/j.fuel.2024.133903","url":null,"abstract":"<div><div>In this study, alumina-supported bimetallic Ni-Cu and trimetallic Ni-Cu-Ce catalysts were synthesized to improve catalysts resistant to coke formation and sulfur poisoning for dry reforming of methane (DRM). The effects of parameters such as feed composition, synthesis method, and H<sub>2</sub>S concentration using the catalyst with the best activity were also investigated. To determine the physical and chemical properties of the synthesized catalysts, XRD, N<sub>2</sub> adsorption–desorption, TGA-DTA, ICP-OES, SEM-EDX, XPS, and DRIFTS analyses were performed. XRD analysis showed that the fresh Ni-Cu catalysts have elemental nickel and γ-alumina phases in their structures. In addition to these structures, the CeO<sub>2</sub> crystal structure was determined for the Ni-Cu-Ce catalyst. Type IV isotherm with H1 hysteresis indicating uniform mesoporous structure was obtained with all the catalysts. The activities of the synthesized catalysts in DRM were performed in the presence of different concentrations of H<sub>2</sub>S (2 ppm, 50 ppm, and 500 ppm) in a fixed bed reactor at 750 °C using a gas chromatography-equipped system. The alumina-supported 8Ni-3Cu-8Ce catalyst prepared by the impregnation method exhibited a higher and more stable activity comparing the bimetallic Ni-Cu catalyst in the presence of H<sub>2</sub>S. Adding copper and cerium to the nickel catalyst has a curative effect on resistance to coke formation and sulfur poisoning. Excess CO<sub>2</sub> in the feed stream increased the H<sub>2</sub>S poisoning resistance of the catalyst. To analyze the reactor exit stream in catalytic activity using different feed stream compositions such as H<sub>2</sub>S+He, H<sub>2</sub>S+CO<sub>2</sub>+He, and H<sub>2</sub>S+CO<sub>2</sub>+CH<sub>4</sub>+He, FTIR with a gas cell was used. The formation of carbonyl sulfide (COS) and H<sub>2</sub>O, which occurs due to the possible reaction between CO<sub>2</sub> and H<sub>2</sub>S, was observed. Regeneration studies showed that the catalyst could undergo regeneration with a low oxygen concentration (0.3 % O<sub>2</sub> in He). 8Ni-3Cu-8Ce@SGA, which gave 71 % CH<sub>4</sub> conversion in the first minute of the reaction test in the presence of 50 ppm H<sub>2</sub>S, was regenerated after completely losing its activity at the end of 5 h. 66 % CH<sub>4</sub> conversion was achieved when tested again in the absence of H<sub>2</sub>S (CH<sub>4</sub>/CO<sub>2</sub>/Ar:1/1/1). The 8Ni-3Cu-8Ce@SGA catalyst was deemed worthy of investigation for industrial applications.</div></div>","PeriodicalId":325,"journal":{"name":"Fuel","volume":"383 ","pages":"Article 133903"},"PeriodicalIF":6.7,"publicationDate":"2024-11-29","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142744703","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
To enhance the understanding of fire dynamics in building-integrated photovoltaic (BIPV) systems, an experimental study was performed to investigate the influence of pool fires generated by ignited PV panels on adjacent inclined unburned PV panels within an array. Experiments were conducted under 50 different conditions, encompassing a range of inclination angles (0° to 90°) and varying fire source heat release rates using a gas burner. The evolution of the flame morphology and characteristic behaviors influenced by nearby inclined surfaces was examined. The results indicate that asymmetrical air entrainment induced by the inclined surface causes the flame height to initially decrease and then increase with increasing inclination angle, while the flame tilt angle exhibits the opposite trend. Owing to the buoyancy components parallel and perpendicular to the inclined surface, the flame attachment length exhibits an increasing trend, while the distance from the flame tip to the inclined surface decreases monotonically with the inclination angle. The flame transitions from partial attachment to complete attachment mode within the range of 60° to 70°, which is a crucial factor influencing the morphology and behavior of the flame. Global correlations were established to describe the flame morphology through the force analysis of the flame. As the inclination angle increases, the flame transitions from non-attachment to intermittent attachment to the inclined surface, with the transition behavior quantified using the dimensionless heat release rate and trigonometric functions. Due to the restriction of the entrainment space, the flame pulsation frequency decreased with the increase of the inclination angle. Dimensionless models were formulated to predict the flame pulsation frequency, considering the hydraulic diameter for both free and wall flames. The morphology and characteristic behaviors of the flame predicted by the proposed model were compared with the measurement data, demonstrating reasonable agreement.
{"title":"An experimental study on the morphology and behaviors of fire with nearby inclined surface during flame spread on building integrated photovoltaic (BIPV)","authors":"Yifan Lin, Yong Jiang, Shihao Li, Zhiyuan Zhang, Ying Zhang","doi":"10.1016/j.fuel.2024.133566","DOIUrl":"10.1016/j.fuel.2024.133566","url":null,"abstract":"<div><div>To enhance the understanding of fire dynamics in building-integrated photovoltaic (BIPV) systems, an experimental study was performed to investigate the influence of pool fires generated by ignited PV panels on adjacent inclined unburned PV panels within an array. Experiments were conducted under 50 different conditions, encompassing a range of inclination angles (0° to 90°) and varying fire source heat release rates using a gas burner. The evolution of the flame morphology and characteristic behaviors influenced by nearby inclined surfaces was examined. The results indicate that asymmetrical air entrainment induced by the inclined surface causes the flame height to initially decrease and then increase with increasing inclination angle, while the flame tilt angle exhibits the opposite trend. Owing to the buoyancy components parallel and perpendicular to the inclined surface, the flame attachment length exhibits an increasing trend, while the distance from the flame tip to the inclined surface decreases monotonically with the inclination angle. The flame transitions from partial attachment to complete attachment mode within the range of 60° to 70°, which is a crucial factor influencing the morphology and behavior of the flame. Global correlations were established to describe the flame morphology through the force analysis of the flame. As the inclination angle increases, the flame transitions from non-attachment to intermittent attachment to the inclined surface, with the transition behavior quantified using the dimensionless heat release rate and trigonometric functions. Due to the restriction of the entrainment space, the flame pulsation frequency decreased with the increase of the inclination angle. Dimensionless models were formulated to predict the flame pulsation frequency, considering the hydraulic diameter for both free and wall flames. The morphology and characteristic behaviors of the flame predicted by the proposed model were compared with the measurement data, demonstrating reasonable agreement.</div></div>","PeriodicalId":325,"journal":{"name":"Fuel","volume":"383 ","pages":"Article 133566"},"PeriodicalIF":6.7,"publicationDate":"2024-11-29","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142744704","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"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 : 2024-11-28DOI: 10.1016/j.fuel.2024.133898
Youkeren An , Yiqun Zhang , Chengyu Hui , Khanjar Hasan , Panpan Zhang , Hongxing Du , Jinshan Wang , Xu Cui
Multilateral wells are regarded as a well type that enhances the efficiency of natural gas hydrates (NGHs) exploitation by promoting pressure propagation and expanding the drainage area, while might causing sand production, stress concentration, subsidence, and other hazards. Understanding sand production and geomechanical responses in multilateral wells is crucial for ensuring safety. As a continuation of our previous research, a coupled thermal–hydraulic-mechanical-chemical (THMC) model was constructed to investigate sand production and geomechanical responses in multilateral wells. The gas productivity, sand production, and potential geomechanical risks were assessed using various well configuration designs. The findings indicate that, compared to vertical wells, a single-branch multilateral well can increase gas production by 413 %. Compared to the right-angle layout of branches, the symmetric configuration of a 180° dual-branch well can reduce the risk of sand production by nearly 25 %. Additionally, sand production issues are most severe during the initial phase of exploitation, while stress concentration and stratum deformation pose long-term geological risks. This study provides critical insights into the potential application of multilateral well technology in NGHs exploitation.
{"title":"Numerical simulation on natural gas hydrates exploitation via multilateral well: Impacts on sand production and geomechanical responses","authors":"Youkeren An , Yiqun Zhang , Chengyu Hui , Khanjar Hasan , Panpan Zhang , Hongxing Du , Jinshan Wang , Xu Cui","doi":"10.1016/j.fuel.2024.133898","DOIUrl":"10.1016/j.fuel.2024.133898","url":null,"abstract":"<div><div>Multilateral wells are regarded as a well type that enhances the efficiency of natural gas hydrates (NGHs) exploitation by promoting pressure propagation and expanding the drainage area, while might causing sand production, stress concentration, subsidence, and other hazards. Understanding sand production and geomechanical responses in multilateral wells is crucial for ensuring safety. As a continuation of our previous research, a coupled thermal–hydraulic-mechanical-chemical (THMC) model was constructed to investigate sand production and geomechanical responses in multilateral wells. The gas productivity, sand production, and potential geomechanical risks were assessed using various well configuration designs. The findings indicate that, compared to vertical wells, a single-branch multilateral well can increase gas production by 413 %. Compared to the right-angle layout of branches, the symmetric configuration of a 180° dual-branch well can reduce the risk of sand production by nearly 25 %. Additionally, sand production issues are most severe during the initial phase of exploitation, while stress concentration and stratum deformation pose long-term geological risks. This study provides critical insights into the potential application of multilateral well technology in NGHs exploitation.</div></div>","PeriodicalId":325,"journal":{"name":"Fuel","volume":"383 ","pages":"Article 133898"},"PeriodicalIF":6.7,"publicationDate":"2024-11-28","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142720616","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"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 : 2024-11-28DOI: 10.1016/j.fuel.2024.133818
Suyang Pan , Jiliang Ma , Xiaoping Chen , Wenming Yang , Cai Liang
Research on ammonia combustion is gradually attracting widespread interest. Developing a simple, widely applicable, and reasonably simplified reaction model for ammonia combustion is of great significance for computational fluid dynamics (CFD) research. This study simplifies the detailed reaction model using the Directed Relation Graph method with Error Propagation and Full Species Sensitivity Analysis method. Then, sensitivity analysis is used to identify crucial reactions that influence combustion characteristics, while genetic algorithms are employed to optimize the kinetic parameters of these reactions. In heat insulation steady perfectly stirred reactor simulation, and 1-D premixed laminar flame simulation, the simplified model is compared with the detailed model. It is found that the simplified model provides reasonable predictions for species concentration, gas temperature, and flame velocity across a wide range of premixed gas equivalence ratios (0.6 ∼ 1.4), oxygen concentration (21 %∼100 %), and temperature (300 K ∼ 500 K). In cases of elevated oxygen concentrations, the prediction error of the simplified model increases but remains within acceptable limits. The prediction of the simplified model in a CFD simulation is also close to that of the detailed model. Moreover, the simulation time cost is reduced by 48.11 %, demonstrating the efficiency of the simplified model in conserving computational resources. In an unsteady closed homogeneous (0-D) simulation, however, the simplified model could only accurately predict the ignition delay time when the oxygen concentration of the premixed gas is greater than 40 %.
{"title":"A simplified reaction model for combustion of ammonia","authors":"Suyang Pan , Jiliang Ma , Xiaoping Chen , Wenming Yang , Cai Liang","doi":"10.1016/j.fuel.2024.133818","DOIUrl":"10.1016/j.fuel.2024.133818","url":null,"abstract":"<div><div>Research on ammonia combustion is gradually attracting widespread interest. Developing a simple, widely applicable, and reasonably simplified reaction model for ammonia combustion is of great significance for computational fluid dynamics (CFD) research. This study simplifies the detailed reaction model using the Directed Relation Graph method with Error Propagation and Full Species Sensitivity Analysis method. Then, sensitivity analysis is used to identify crucial reactions that influence combustion characteristics, while genetic algorithms are employed to optimize the kinetic parameters of these reactions. In heat insulation steady perfectly stirred reactor simulation, and 1-D premixed laminar flame simulation, the simplified model is compared with the detailed model. It is found that the simplified model provides reasonable predictions for species concentration, gas temperature, and flame velocity across a wide range of premixed gas equivalence ratios (0.6 ∼ 1.4), oxygen concentration (21 %∼100 %), and temperature (300 K ∼ 500 K). In cases of elevated oxygen concentrations, the prediction error of the simplified model increases but remains within acceptable limits. The prediction of the simplified model in a CFD simulation is also close to that of the detailed model. Moreover, the simulation time cost is reduced by 48.11 %, demonstrating the efficiency of the simplified model in conserving computational resources. In an unsteady closed homogeneous (0-D) simulation, however, the simplified model could only accurately predict the ignition delay time when the oxygen concentration of the premixed gas is greater than 40 %.</div></div>","PeriodicalId":325,"journal":{"name":"Fuel","volume":"383 ","pages":"Article 133818"},"PeriodicalIF":6.7,"publicationDate":"2024-11-28","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142720618","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"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 : 2024-11-28DOI: 10.1016/j.fuel.2024.133734
Zeshan Ali Sandhu , Soha Ghaffar , Muhammad Asam Raza , Noor ul Huda , Sufyan Ashraf , Umair Talat , Areej Chauhdary , Hamza Gulzarab , Abdullah G. Al-Sehemi
Energy sustainability and cleanliness have given rise to profound exploration due to development of proficient photocatalytic materials,capable for water splitting, which is an all-important process for the production of hydrogen fuel renewable. Metal selenide nanocomposites with their special electrical and structural traits have been of growing interest to be used in photocatalytic water splitting processes. This paper highlights recent progress in the synthesis and application of metal selenide nanocomposites that result in improved performance of photo-electrolysis of water. Metal selenide nanocomposite can be manufactured nowadays by novel techniques, such as solvothermal, hydrothermal and chemical vapor deposition. It renders an electrons transfer in a longitudinal way and effectively applies its effects. As compared to the other conventional semiconductor materials mostly as nickel selenide (NiSe), cobalt selenide (CoSe) and iron selenide (FeSe) are renowned to show higher light materials. Metal selenides polymers have proved that they can bring the elevation of the water splitting systems’ efficiency, photocurr
ents, and hydrogen evolution rates. The synergistic effects of mixing components such as metal corrosion with other materials as heteroatom composed semiconductors or carbon nanomaterials become even more significant when they provide active sites for other atoms and facilitate charge transfer. The work is focused on deepening the understanding of basic ideas governing photocatalytic activity by conducting research to find innovative approaches which will provide answers to the most complicated problems yet to be resolved in the area of metal selenide nanocomposites. Hence, as long as scientists are going to investigate and improve those materials based on metal selenide nanocomposites, these can be seen as material to the progress of photocatalytic water splitting and taking the cause of creating sustainable and environmentally friendly energy resources.
{"title":"Advancements in metal selenide nanocomposites for efficient photocatalytic water splitting applications","authors":"Zeshan Ali Sandhu , Soha Ghaffar , Muhammad Asam Raza , Noor ul Huda , Sufyan Ashraf , Umair Talat , Areej Chauhdary , Hamza Gulzarab , Abdullah G. Al-Sehemi","doi":"10.1016/j.fuel.2024.133734","DOIUrl":"10.1016/j.fuel.2024.133734","url":null,"abstract":"<div><div>Energy sustainability and cleanliness have given rise to profound exploration due to development of proficient photocatalytic materials,capable for water splitting, which is an all-important process for the production of hydrogen fuel renewable. Metal selenide nanocomposites with their special electrical and structural traits have been of growing interest to be used in photocatalytic water splitting processes. This paper highlights recent progress in the synthesis and application of metal selenide nanocomposites that result in improved performance of photo-electrolysis of water. Metal selenide nanocomposite can be manufactured nowadays by novel techniques, such as solvothermal, hydrothermal and chemical vapor deposition. It renders an electrons transfer in a longitudinal way and effectively applies its effects. As compared to the other conventional semiconductor materials mostly as nickel selenide (NiSe), cobalt selenide (CoSe) and iron selenide (FeSe) are renowned to show higher light materials. Metal selenides polymers have proved that they can bring the elevation of the water splitting systems’ efficiency, photocurr</div><div>ents, and hydrogen evolution rates. The synergistic effects of mixing components such as metal corrosion with other materials as heteroatom composed semiconductors or carbon nanomaterials become even more significant when they provide active sites for other atoms and facilitate charge transfer. The work is focused on deepening the understanding of basic ideas governing photocatalytic activity by conducting research to find innovative approaches which will provide answers to the most complicated problems yet to be resolved in the area of metal selenide nanocomposites. Hence, as long as scientists are going to investigate and improve those materials based on metal selenide nanocomposites, these can be seen as material to the progress of photocatalytic water splitting and taking the cause of creating sustainable and environmentally friendly energy resources.</div></div>","PeriodicalId":325,"journal":{"name":"Fuel","volume":"383 ","pages":"Article 133734"},"PeriodicalIF":6.7,"publicationDate":"2024-11-28","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142744821","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"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 : 2024-11-28DOI: 10.1016/j.fuel.2024.133844
Nuo Zhang, Yong-Bo Zhou, Fei Chen, Zhi-Hong Du, Chun-Bo Bo, Min Li, Ning Liu
We reported that a new type of nickel catalysts, in combination with use of as a 2,4,5,6-tetra(9H-carbazol-9-yl)isophthalonitrile (4CzIPN) as a photoinitiator, are capable of affecting (Z)-selective semi-hydrogenation of alkynes utilizing carbonic acid, in-situ generation by the reaction of carbon dioxide and water, and Et3N as a hydrogen source under mild photochemical conditions. This catalytic system allows wide scopes of alkynes, including aryl internal alkynes, mono-alkylacetylene, and aryl terminal alkynes, affording (Z)-alkenes as major product in good to excellent yields. It is noteworthy that N-heteroaromatic internal alkynes, such as 2-pyridyl arylenyne, yield (E)-alkenes. The cooperative catalysis between nickel complexes and 4CzIPN was revealed by in situ infrared spectroscopy, high-resolution mass spectrometry (HRMS), and control experiments.
{"title":"Visible-Light-Driven (NSNO)Nickel complex catalyzed (Z)-Selective semi-hydrogenation of alkynes","authors":"Nuo Zhang, Yong-Bo Zhou, Fei Chen, Zhi-Hong Du, Chun-Bo Bo, Min Li, Ning Liu","doi":"10.1016/j.fuel.2024.133844","DOIUrl":"10.1016/j.fuel.2024.133844","url":null,"abstract":"<div><div>We reported that a new type of nickel catalysts, in combination with use of as a 2,4,5,6-tetra(9H-carbazol-9-yl)isophthalonitrile (4CzIPN) as a photoinitiator, are capable of affecting (<em>Z</em>)-selective semi-hydrogenation of alkynes utilizing carbonic acid, <em>in-situ</em> generation by the reaction of carbon dioxide and water, and Et<sub>3</sub>N as a hydrogen source under mild photochemical conditions. This catalytic system allows wide scopes of alkynes, including aryl internal alkynes, mono-alkylacetylene, and aryl terminal alkynes, affording (<em>Z</em>)-alkenes as major product in good to excellent yields. It is noteworthy that <em>N</em>-heteroaromatic internal alkynes, such as 2-pyridyl arylenyne, yield (<em>E</em>)-alkenes. The cooperative catalysis between nickel complexes and 4CzIPN was revealed by in situ infrared spectroscopy, high-resolution mass spectrometry (HRMS), and control experiments.</div></div>","PeriodicalId":325,"journal":{"name":"Fuel","volume":"383 ","pages":"Article 133844"},"PeriodicalIF":6.7,"publicationDate":"2024-11-28","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142744823","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"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 : 2024-11-28DOI: 10.1016/j.fuel.2024.133836
Mengqian Li , Xiaosheng Huang , Guodong Zhang , Zhicheng Tang , Dongcheng Hu
The full exposure of the active center is an important reason for the superior performance, and the excellent anti-SO2 poisoning ability is a key factor to ensure the service life for the low temperature NH3-SCR catalyst. In this study, the strategy of evaporation-induced self-assembly (EISA) was chosen to directly confined CuSO4 to the framework structure of ordered mesoporous CeWTiOx (CWT-OM) catalyst. Metal sulfate plays a dual role in low temperature activity and sulfur resistance. When the temperature reached 220 °C, the NO conversion of ordered mesoporous CuSO4/CeWTiOx (CuCWT-OM) catalyst reached about 90 %. Introduce 100 ppm SO2 17.5 h under 260 °C, the conversion of CuCWT-OM catalyst can keep the above 80 %. The introduction of CuSO4 increased the acidity of CWT-OM catalyst, inhibited the sulfate formed by the reaction of SO2 with active species, and ensured the number of active sites in the reaction. In addition, the Cu-Ce interface effect accelerates the electron transfer frequency between the active species, stimulates the production of adsorbed NO2, and promotes the conversion of NO at low temperature. Furthermore, the interface confined effect and the framework confined effect make the active species Cu and Ce firmly confined in the ordered mesoporous framework structure, and reduce the action of SO2 on the active components. In addition, SO42− is more likely to react with W species, protecting the main active species Ce and inhibiting its acidification. This work provides a new feasible idea for improving the low temperature activity and anti-SO2 poisoning stability of Ce based catalyst.
活性中心的充分暴露是低温 NH3-SCR 催化剂性能优越的重要原因,而优异的抗二氧化硫中毒能力则是确保其使用寿命的关键因素。本研究选择了蒸发诱导自组装(EISA)的策略,将 CuSO4 直接封闭在有序介孔 CeWTiOx(CWT-OM)催化剂的框架结构中。金属硫酸盐在低温活性和抗硫性方面起着双重作用。当温度达到 220 ℃ 时,有序介孔 CuSO4/CeWTiOx (CuCWT-OM) 催化剂的氮氧化物转化率达到约 90%。在 260 °C 下引入 100 ppm SO2 17.5 h,CuCWT-OM 催化剂的转化率可保持在 80% 以上。引入 CuSO4 增加了 CWT-OM 催化剂的酸度,抑制了 SO2 与活性物种反应生成的硫酸盐,保证了反应中活性位点的数量。此外,Cu-Ce 界面效应加快了活性物种之间的电子转移频率,刺激了吸附 NO2 的产生,促进了低温下 NO 的转化。此外,界面约束效应和框架约束效应使活性物种 Cu 和 Ce 被牢固地约束在有序的介孔框架结构中,减少了 SO2 对活性成分的作用。此外,SO42- 更容易与 W 物种发生反应,从而保护主要活性物种 Ce 并抑制其酸化。这项工作为提高 Ce 基催化剂的低温活性和抗二氧化硫中毒稳定性提供了一种新的可行思路。
{"title":"Construction dual active sites on confined ordered mesoporous CeWTi catalyst by CuSO4 modification for enhancing SO2 tolerance during low temperature NH3-SCR process","authors":"Mengqian Li , Xiaosheng Huang , Guodong Zhang , Zhicheng Tang , Dongcheng Hu","doi":"10.1016/j.fuel.2024.133836","DOIUrl":"10.1016/j.fuel.2024.133836","url":null,"abstract":"<div><div>The full exposure of the active center is an important reason for the superior performance, and the excellent anti-SO<sub>2</sub> poisoning ability is a key factor to ensure the service life for the low temperature NH<sub>3</sub>-SCR catalyst. In this study, the strategy of evaporation-induced self-assembly (EISA) was chosen to directly confined CuSO<sub>4</sub> to the framework structure of ordered mesoporous CeWTiOx (CWT-OM) catalyst. Metal sulfate plays a dual role in low temperature activity and sulfur resistance. When the temperature reached 220 °C, the NO conversion of ordered mesoporous CuSO<sub>4</sub>/CeWTiOx (CuCWT-OM) catalyst reached about 90 %. Introduce 100 ppm SO<sub>2</sub> 17.5 h under 260 °C, the conversion of CuCWT-OM catalyst can keep the above 80 %. The introduction of CuSO<sub>4</sub> increased the acidity of CWT-OM catalyst, inhibited the sulfate formed by the reaction of SO<sub>2</sub> with active species, and ensured the number of active sites in the reaction. In addition, the Cu-Ce interface effect accelerates the electron transfer frequency between the active species, stimulates the production of adsorbed NO<sub>2</sub>, and promotes the conversion of NO at low temperature. Furthermore, the interface confined effect and the framework confined effect make the active species Cu and Ce firmly confined in the ordered mesoporous framework structure, and reduce the action of SO<sub>2</sub> on the active components. In addition, SO<sub>4</sub><sup>2−</sup> is more likely to react with W species, protecting the main active species Ce and inhibiting its acidification. This work provides a new feasible idea for improving the low temperature activity and anti-SO<sub>2</sub> poisoning stability of Ce based catalyst.</div></div>","PeriodicalId":325,"journal":{"name":"Fuel","volume":"383 ","pages":"Article 133836"},"PeriodicalIF":6.7,"publicationDate":"2024-11-28","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142720617","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"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 : 2024-11-27DOI: 10.1016/j.fuel.2024.133871
C. Pownraj , A. Karthik , Prabhu B. , Suresh Sethu , K.V. Yatish , Jitendra Kumar Katiyar , A. Valan Arasu
Metal organic frameworks based functional catalysts could be utilized to crack and adsorb the bio-oil compounds for green fuel production. This comprehensive investigation examines the effect of three different Cu MOF functional catalysts (Cu MOF, Cu MOF-rGO and Cu MOF-CSC) on cracking and adsorption of hydrocarbon and oxygen-containing compounds in Bombax Ceiba Oil (BC Oil) via the thermo-catalytic pyrolysis process. Attrition based low temperature/pressure induced instruments like a high-speed mixer (HSM) and a four-ball wear tester (FBW) are used to carry out the cracking and adsorption reactions. The Cu MOF-CSC functional catalyst exhibits excellent catalytic cracking and adsorption performance in BC oil due to its high active surface area (59.419 m2/g) and suitable chemical elements (C-40.39 %, O-33.95 %, and Cu-25.66 %). The FBW process-based pyrolyzed BC Oil exhibits improved adsorption of hydrocarbon (9.3 %), oxygen-incorporated compounds (34.24 % of oxygen-bonded hydrocarbon, 3.29 % of chloroacetic acid, undecyl ester (C14H27ClO2), and 0.90 % of sulphur (2,3-Diphenylcyclopropyl) methyl phenyl sulfoxide, trans-/C22H20OS), and enhanced alkane compounds (14.11 %) via adsorption mechanisms of Lewis acid–base interactions, hydrophobic interactions, π–π stacking interactions, electrostatic interactions, and hydrogen bonding. Overall, the newly synthesized Cu MOF-CSC catalyst might be utilized to produce green fuel in the framework of a net zero emission (NZE) scenario.
基于金属有机框架的功能催化剂可用于裂解和吸附生物油化合物,以生产绿色燃料。这项综合研究探讨了三种不同的 Cu MOF 功能催化剂(Cu MOF、Cu MOF-rGO 和 Cu MOF-CSC)对通过热催化热解过程裂解和吸附 Bombax Ceiba Oil(BC Oil)中的碳氢化合物和含氧化合物的影响。在进行裂解和吸附反应时,使用了高速混合器(HSM)和四球磨损测试仪(FBW)等基于低温/压力诱导的磨损仪器。由于 Cu MOF-CSC 功能催化剂具有较高的活性表面积(59.419 m2/g)和合适的化学元素(C-40.39 %、O-33.95 % 和 Cu-25.66 %),因此在 BC 油中表现出优异的催化裂解和吸附性能。基于 FBW 工艺的热解 BC 油对碳氢化合物(9.3 %)、氧结合化合物(34.24 % 的氧结合碳氢化合物、3.29 % 的氯乙酸、十一烷基酯(C14H27ClO2)和 0.90%的硫(2,3-二苯基环丙基)甲基苯基亚砜,反式-/C22H20OS),以及通过路易斯酸碱相互作用、疏水相互作用、π-π堆积相互作用、静电作用和氢键等吸附机制增强的烷烃化合物(14.11%)。总之,新合成的 Cu MOF-CSC 催化剂可用于在净零排放(NZE)框架内生产绿色燃料。
{"title":"Effect of Cu MOF based functional catalysts on cracking and adsorption of bio-oil compounds via thermo-catalytic pyrolysis: A net zero emission scenario","authors":"C. Pownraj , A. Karthik , Prabhu B. , Suresh Sethu , K.V. Yatish , Jitendra Kumar Katiyar , A. Valan Arasu","doi":"10.1016/j.fuel.2024.133871","DOIUrl":"10.1016/j.fuel.2024.133871","url":null,"abstract":"<div><div>Metal organic frameworks based functional catalysts could be utilized to crack and adsorb the bio-oil compounds for green fuel production. This comprehensive investigation examines the effect of three different Cu MOF functional catalysts (Cu MOF, Cu MOF-rGO and Cu MOF-CSC) on cracking and adsorption of hydrocarbon and oxygen-containing compounds in Bombax Ceiba Oil (BC Oil) via the thermo-catalytic pyrolysis process. Attrition based low temperature/pressure induced instruments like a high-speed mixer (HSM) and a four-ball wear tester (FBW) are used to carry out the cracking and adsorption reactions. The Cu MOF-CSC functional catalyst exhibits excellent catalytic cracking and adsorption performance in BC oil due to its high active surface area (59.419 m<sup>2</sup>/g) and suitable chemical elements (C-40.39 %, O-33.95 %, and Cu-25.66 %). The FBW process-based pyrolyzed BC Oil exhibits improved adsorption of<!--> <!-->hydrocarbon (9.3 %), oxygen-incorporated compounds (34.24 % of oxygen-bonded hydrocarbon, 3.29 % of chloroacetic acid, undecyl ester (C<sub>14</sub>H<sub>27</sub>ClO<sub>2</sub>), and 0.90 % of sulphur (2,3-Diphenylcyclopropyl) methyl phenyl sulfoxide, trans-/C<sub>22</sub>H<sub>20</sub>OS), and enhanced alkane compounds (14.11 %) via adsorption mechanisms of Lewis acid–base interactions, hydrophobic interactions, π–π stacking interactions, electrostatic interactions, and hydrogen bonding. Overall, the newly synthesized Cu MOF-CSC catalyst might be utilized to produce green fuel in the framework of a net zero emission (NZE) scenario.</div></div>","PeriodicalId":325,"journal":{"name":"Fuel","volume":"383 ","pages":"Article 133871"},"PeriodicalIF":6.7,"publicationDate":"2024-11-27","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142720620","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}