Pub Date : 2024-11-13DOI: 10.1016/j.fuel.2024.133322
Dan Du, Jing-hao Zhang, Qiang-qiang Hao, Jing-jie Ren, Ming-shu Bi
In this study, we analyzed the effects of different excess air coefficients (α) and primary air ratios (φ) on the combustion process in a conical vortex combustion chamber. Experimental and simulation results revealed the significant impact of the variations in these factors on the flame shape, NO emission, and CH4 residue in the combustor.
Three flame shapes were observed in the combustor at different air-flow rates. At 0.221 < α ≤ 1.21, outer trumpet-shaped flames formed in Case 1. At 3.57 ≤ α ≤ 10.61, the air influx through the vortex flow channel rapidly propagated to the lower part of the combustor, forming only the central flame in Case 3. At 1.21 < α < 3.57, the proper amount of air lowered the combustion temperature and increased the combustion area, and thus, outer trumpet-shaped and central flames coexisted in Case 2. In Case 2, the CH4 residue was 0.8 % of that in Case 1, and the minimum NO emission was less than 40 ppm, providing a good balance between combustion and low-emission performance. These findings are expected to contribute to the development of a new type of combustion chamber.
{"title":"Experimental and numerical investigation of the combustion behavior in a conical vortex combustor","authors":"Dan Du, Jing-hao Zhang, Qiang-qiang Hao, Jing-jie Ren, Ming-shu Bi","doi":"10.1016/j.fuel.2024.133322","DOIUrl":"10.1016/j.fuel.2024.133322","url":null,"abstract":"<div><div>In this study, we analyzed the effects of different excess air coefficients (α) and primary air ratios (<em>φ</em>) on the combustion process in a conical vortex combustion chamber. Experimental and simulation results revealed the significant impact of the variations in these factors on the flame shape, NO emission, and CH<sub>4</sub> residue in the combustor.</div><div>Three flame shapes were observed in the combustor at different air-flow rates. At 0.221 < α ≤ 1.21, outer trumpet-shaped flames formed in Case 1. At 3.57 ≤ α ≤ 10.61, the air influx through the vortex flow channel rapidly propagated to the lower part of the combustor, forming only the central flame in Case 3. At 1.21 < α < 3.57, the proper amount of air lowered the combustion temperature and increased the combustion area, and thus, outer trumpet-shaped and central flames coexisted in Case 2. In Case 2, the CH<sub>4</sub> residue was 0.8 % of that in Case 1, and the minimum NO emission was less than 40 ppm, providing a good balance between combustion and low-emission performance. These findings are expected to contribute to the development of a new type of combustion chamber.</div></div>","PeriodicalId":325,"journal":{"name":"Fuel","volume":"381 ","pages":"Article 133322"},"PeriodicalIF":6.7,"publicationDate":"2024-11-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142651808","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 : 2024-11-13DOI: 10.1016/j.fuel.2024.133642
Leena V. Bora , Nisha V. Bora
Hydrogen generation via water splitting is the most captivating one, out of the different technologies employed for its production, owing to the abundance of the essential raw material (water) on our planet. Photoelectrocatalysis (PEC), which combines two powerful advanced oxidation processes, viz., photocatalysis and electrocatalysis, has the potential to use solar energy to split water into Oxygen and Hydrogen at ambient temperature and pressure. This article is a strategic review that discusses the ingenious techniques for increasing the overall efficiency of a PEC process for the purpose of Hydrogen production via water splitting. It analyses the various schemes and parameters of electrode engineering, electrolyte effects and cell architecture. The principal emphasis is on skilled photoelectrode development and process intensification by synergistic operations. This review provides a reference for a comparative study of novel developments and new directions in PEC for the production of Hydrogen, thus encouraging propitious research and rewarding commercialization.
{"title":"Photoelectrocatalytic water splitting for efficient hydrogen production: A strategic review","authors":"Leena V. Bora , Nisha V. Bora","doi":"10.1016/j.fuel.2024.133642","DOIUrl":"10.1016/j.fuel.2024.133642","url":null,"abstract":"<div><div>Hydrogen generation via water splitting is the most captivating one, out of the different technologies employed for its production, owing to the abundance of the essential raw material (water) on our planet. Photoelectrocatalysis (PEC), which combines two powerful advanced oxidation processes, viz., photocatalysis and electrocatalysis, has the potential to use solar energy to split water into Oxygen and Hydrogen at ambient temperature and pressure. This article is a strategic review that discusses the ingenious techniques for increasing the overall efficiency of a PEC process for the purpose of Hydrogen production via water splitting. It analyses the various schemes and parameters of electrode engineering, electrolyte effects and cell architecture. The principal emphasis is on skilled photoelectrode development and process intensification by synergistic operations. This review provides a reference for a comparative study of novel developments and new directions in PEC for the production of Hydrogen, thus encouraging propitious research and rewarding commercialization.</div></div>","PeriodicalId":325,"journal":{"name":"Fuel","volume":"381 ","pages":"Article 133642"},"PeriodicalIF":6.7,"publicationDate":"2024-11-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142651441","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 : 2024-11-13DOI: 10.1016/j.fuel.2024.133721
Sadegh Ahmadpour, Raoof Gholami, Mojtaba Ghaedi
Increasing levels of greenhouse gases (GHG) in the atmosphere have led to the need for effective carbon capture and storage (CCS) technologies. This method involves capturing CO2 at key emission sites and injecting it into suitable geological formations such as aquifers and depleted reservoirs for permanent storage. However, the efficiency of storage is strongly influenced by the behavior of the CO2, the complexity of the geological porous media and the contributions of the different trapping mechanisms. In this study, the phenomenon of density-driven convective mixing of CO2 in heterogeneous porous media is investigated. A new formulation was presented that includes heterogeneity and anisotropy in the vertical and lateral directions. The stream function was also modified accordingly, and the evolution of convective fingers was incorporated into the proposed formulations. Data from the Cook Formation, a potential storage site of the Northern Lights Project in Norway, was used given its heterogeneity and the variation of permeability in the upper and lower sections. Six scenarios were considered to better understand the impact of heterogeneity, anisotropy and layering effects on the onset time and behavior of convection currents. It was revealed that the presence of a low permeable layer above a higher permeability layer significantly increases the onset time and decreases the amount of dissolved CO2 compared to the homogeneous case. It was also observed that permeability variations significantly influence the formation and stability of CO2 convection patterns and affect the velocity, size, and direction of the fingers. For instance, the amount of dissolved CO2 in the heterogeneous and anisotropic case was 10.019 tons, while the value for the homogeneous and isotropic case was 27.570 tonnes. The results of this work have potential implications for the optimization of CCS strategies in different geological settings.
{"title":"Density driven flow in CO2 storage sites: A new formulation for heterogeneous layered porous media","authors":"Sadegh Ahmadpour, Raoof Gholami, Mojtaba Ghaedi","doi":"10.1016/j.fuel.2024.133721","DOIUrl":"10.1016/j.fuel.2024.133721","url":null,"abstract":"<div><div>Increasing levels of greenhouse gases (GHG) in the atmosphere have led to the need for effective carbon capture and storage (CCS) technologies. This method involves capturing CO<sub>2</sub> at key emission sites and injecting it into suitable geological formations such as aquifers and depleted reservoirs for permanent storage. However, the efficiency of storage is strongly influenced by the behavior of the CO<sub>2</sub>, the complexity of the geological porous media and the contributions of the different trapping mechanisms. In this study, the phenomenon of density-driven convective mixing of CO<sub>2</sub> in heterogeneous porous media is investigated. A new formulation was presented that includes heterogeneity and anisotropy in the vertical and lateral directions. The stream function was also modified accordingly, and the evolution of convective fingers was incorporated into the proposed formulations. Data from the Cook Formation, a potential storage site of the Northern Lights Project in Norway, was used given its heterogeneity and the variation of permeability in the upper and lower sections. Six scenarios were considered to better understand the impact of heterogeneity, anisotropy and layering effects on the onset time and behavior of convection currents. It was revealed that the presence of a low permeable layer above a higher permeability layer significantly increases the onset time and decreases the amount of dissolved CO<sub>2</sub> compared to the homogeneous case. It was also observed that permeability variations significantly influence the formation and stability of CO<sub>2</sub> convection patterns and affect the velocity, size, and direction of the fingers. For instance, the amount of dissolved CO<sub>2</sub> in the heterogeneous and anisotropic case was 10.019 tons, while the value for the homogeneous and isotropic case was 27.570 tonnes. The results of this work have potential implications for the optimization of CCS strategies in different geological settings.</div></div>","PeriodicalId":325,"journal":{"name":"Fuel","volume":"381 ","pages":"Article 133721"},"PeriodicalIF":6.7,"publicationDate":"2024-11-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142652275","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 : 2024-11-13DOI: 10.1016/j.fuel.2024.133679
Liang Song , Chun-Chen Xu , Jing Ye , Yong Zhang , Fang-Chao Hou , Bo-Cong Chen , Hao-Long Su , Jing Sun
Hydrocarbon fuels used in micropower systems offer significant advantages, such as high energy density, lightweight properties, and extended power supply duration, making them the focus of widespread interest. Methane is particularly favored due to its excellent combustibility, ease of preparation, and convenient storage. In this study, ReaxFF molecular dynamics simulation is employed to investigate the influence of three additives (dimethyl ether, hydrogen, and ammonia) on the combustion mechanism of methane fuel. Results show that the pathways of CH4 mainly involve dehydrogenation and oxidation reactions. In CH4/C2H6O system, dimethyl ether is predominantly consumed via two pathways: C–O cleavage and dehydrogenation. These pathways form a significant quantity of active free radicals (such as CH3 and CH3O). In the case of CH4/H2 combustion, hydrogen is consumed to provide H, OH, and HO2 active free radicals via reactions such as H2 + OH → H2O + H, H2 + O2 → 2OH, and H2 + 2O2 → 2HO2. In the combustion of CH4/NH3, ammonia initially undergoes a dehydrogenation reaction involving OH, O, and H free radicals, resulting in the formation of NH2. Subsequently, 65.57 % of NH2 undergoes further reactions to form H2O2N, while 16.39 % of NH2 forms NH radicals. The presence of additives influences the final products in different systems. In the CH4/C2H6O system, the final products include CO, CO2, H2, and H2O. In the CH4/H2 system, the final products consist of CO, CO2, and H2O. Lastly, in the CH4/NH3 system, the final products comprise CO, CO2, H2, NO, NO2, and H2O.
{"title":"Oxidation mechanism of methane fuel blended with dimethyl ether/hydrogen/ammonia via ReaxFF molecular dynamics simulation","authors":"Liang Song , Chun-Chen Xu , Jing Ye , Yong Zhang , Fang-Chao Hou , Bo-Cong Chen , Hao-Long Su , Jing Sun","doi":"10.1016/j.fuel.2024.133679","DOIUrl":"10.1016/j.fuel.2024.133679","url":null,"abstract":"<div><div>Hydrocarbon fuels used in micropower systems offer significant advantages, such as high energy density, lightweight properties, and extended power supply duration, making them the focus of widespread interest. Methane is particularly favored due to its excellent combustibility, ease of preparation, and convenient storage. In this study, ReaxFF molecular dynamics simulation is employed to investigate the influence of three additives (dimethyl ether, hydrogen, and ammonia) on the combustion mechanism of methane fuel. Results show that the pathways of CH<sub>4</sub> mainly involve dehydrogenation and oxidation reactions. In CH<sub>4</sub>/C<sub>2</sub>H<sub>6</sub>O system, dimethyl ether is predominantly consumed via two pathways: C–O cleavage and dehydrogenation. These pathways form a significant quantity of active free radicals (such as CH<sub>3</sub> and CH<sub>3</sub>O). In the case of CH<sub>4</sub>/H<sub>2</sub> combustion, hydrogen is consumed to provide H, OH, and HO<sub>2</sub> active free radicals via reactions such as H<sub>2</sub> + OH → H<sub>2</sub>O + H, H<sub>2</sub> + O<sub>2</sub> → 2OH, and H<sub>2</sub> + 2O<sub>2</sub> → 2HO<sub>2</sub>. In the combustion of CH<sub>4</sub>/NH<sub>3</sub>, ammonia initially undergoes a dehydrogenation reaction involving OH, O, and H free radicals, resulting in the formation of NH<sub>2</sub>. Subsequently, 65.57 % of NH<sub>2</sub> undergoes further reactions to form H<sub>2</sub>O<sub>2</sub>N, while 16.39 % of NH<sub>2</sub> forms NH radicals. The presence of additives influences the final products in different systems. In the CH<sub>4</sub>/C<sub>2</sub>H<sub>6</sub>O system, the final products include CO, CO<sub>2</sub>, H<sub>2</sub>, and H<sub>2</sub>O. In the CH<sub>4</sub>/H<sub>2</sub> system, the final products consist of CO, CO<sub>2</sub>, and H<sub>2</sub>O. Lastly, in the CH<sub>4</sub>/NH<sub>3</sub> system, the final products comprise CO, CO<sub>2</sub>, H<sub>2</sub>, NO, NO<sub>2</sub>, and H<sub>2</sub>O.</div></div>","PeriodicalId":325,"journal":{"name":"Fuel","volume":"381 ","pages":"Article 133679"},"PeriodicalIF":6.7,"publicationDate":"2024-11-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142652277","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 : 2024-11-13DOI: 10.1016/j.fuel.2024.133711
Chao Zhang , Guofu Liu , Xin Zhang , Angang Song , Dan Xu , Xiaowu Jiang , Chenghong Gong , Xiaobo Zhou , Qiuping Gong , Dekui Shen
To optimize the NOx/NH3 (Nitrogen Oxides/Ammonia) matching ratio for a SCR (Selective Catalytic Reduction) system, dynamic NH3 injection was achieved on the basis of the constructed control rules for critical AIG (Ammonia Injection Grid) branch-pipe valves via the determination of the basic NH3 injection amount and the secondarily distributed NH3 injection amount. Moreover, the real-time NOx flux distribution characteristics in each subzone were analysed on the basis of the operation data of the flue gas velocity and NOx concentration originating from multiple measuring points located in the flue cross-section which is in front of the AIG. The engineering application results of a 350 MW coal-fired unit revealed that 12 “critical” AIG branch-pipe valves achieved dynamic NH3 injection. With a maximum fluctuation in NOx flux of 433 mol/h in the subzone of the individual flue cross-section, the opening of this AIG branch-pipe valve was subsequently adjusted by 22° to optimize the NOx/NH3 matching ratio in the system in a timely manner. The ACRs (Ammonia Consumption Rates) of the A and B sides in the studied SCR system were reduced by approximately 26.70 % and 11.90 %, respectively. In addition, the average RSD (Relative Standard Deviation) of the NOx concentration at the outlet of the SCR reactor for sides A and B were approximately 11.9 % and 13.6 %, which were reduced by approximately 11.63 % and 15.47 %, respectively, owing to the application of the dynamic NH3 injection strategy.
{"title":"A partitioned dynamic ammonia injection strategy based on real-time NOx flux distribution characteristics in an SCR system","authors":"Chao Zhang , Guofu Liu , Xin Zhang , Angang Song , Dan Xu , Xiaowu Jiang , Chenghong Gong , Xiaobo Zhou , Qiuping Gong , Dekui Shen","doi":"10.1016/j.fuel.2024.133711","DOIUrl":"10.1016/j.fuel.2024.133711","url":null,"abstract":"<div><div>To optimize the NO<sub>x</sub>/NH<sub>3</sub> (Nitrogen Oxides/Ammonia) matching ratio for a SCR (Selective Catalytic Reduction) system, dynamic NH<sub>3</sub> injection was achieved on the basis of the constructed control rules for critical AIG (Ammonia Injection Grid) branch-pipe valves via the determination of the basic NH<sub>3</sub> injection amount and the secondarily distributed NH<sub>3</sub> injection amount. Moreover, the real-time NO<sub>x</sub> flux distribution characteristics in each subzone were analysed on the basis of the operation data of the flue gas velocity and NO<sub>x</sub> concentration originating from multiple measuring points located in the flue cross-section which is in front of the AIG. The engineering application results of a 350 MW coal-fired unit revealed that 12 “critical” AIG branch-pipe valves achieved dynamic NH<sub>3</sub> injection. With a maximum fluctuation in NO<sub>x</sub> flux of 433 mol/h in the subzone of the individual flue cross-section, the opening of this AIG branch-pipe valve was subsequently adjusted by 22° to optimize the NO<sub>x</sub>/NH<sub>3</sub> matching ratio in the system in a timely manner. The ACRs (Ammonia Consumption Rates) of the A and B sides in the studied SCR system were reduced by approximately 26.70 % and 11.90 %, respectively. In addition, the average RSD (Relative Standard Deviation) of the NO<sub>x</sub> concentration at the outlet of the SCR reactor for sides A and B were approximately 11.9 % and 13.6 %, which were reduced by approximately 11.63 % and 15.47 %, respectively, owing to the application of the dynamic NH<sub>3</sub> injection strategy.</div></div>","PeriodicalId":325,"journal":{"name":"Fuel","volume":"381 ","pages":"Article 133711"},"PeriodicalIF":6.7,"publicationDate":"2024-11-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142652278","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 : 2024-11-13DOI: 10.1016/j.fuel.2024.133596
Shuang Geng , Ting Zhang , Xin Zhang , Shaoqian Cheng , Guoen Fu , Jianfu Xu , Wen Zhou , Yanhua Lan , Xueqiang Shi , Chi-Min Shu , Weiguo Cao
Coal is extensively utilised to provide thermal energy for various industrial processes, such as ironmaking and steelmaking. However, it poses a certain threat due to the potential risk of dust explosion during processing. To address this issue, this study evaluated the effectiveness of melamine polyphosphate (MPP) as a solid inhibitor in suppressing coal dust explosions, and the inhibitory effect was compared with that of silica (SiO2). The experiments showed that flame propagation height and flame propagation velocity were suppressed with the increase of inhibitors. At a mass fraction of MPP of 0–25 mass%, the minimum ignition temperature increased from 540 to 640 °C, an increase of 18%. To reveal the mechanisms for the noticeable suppression of coal dust explosion by MPP, the evolution with potential energy, free radicals, and main gaseous products of coal and coal/MPP was simulated using reactive force field molecular dynamics (ReaxFF-MD). During combustion, the PO and PO2 groups decomposed from MPP reacting with the OH and H and terminated the gaseous combustion chain reaction. Meanwhile, NH3 decomposed by MPP diluted the concentration of oxygen. Finally, the suppression mechanisms of SiO2 and MPP were investigated.
煤炭被广泛用于为炼铁和炼钢等各种工业流程提供热能。然而，由于在加工过程中存在粉尘爆炸的潜在风险，煤炭也构成了一定的威胁。针对这一问题，本研究评估了三聚氰胺聚磷酸盐（MPP）作为固体抑制剂抑制煤尘爆炸的效果，并将其抑制效果与二氧化硅（SiO2）进行了比较。实验结果表明，随着抑制剂的增加，火焰传播高度和火焰传播速度均受到抑制。当 MPP 的质量分数为 0-25 质量%时，最低着火温度从 540 °C 上升到 640 °C，上升了 18%。为了揭示 MPP 显著抑制煤尘爆炸的机理，使用反应力场分子动力学（ReaxFF-MD）模拟了煤和煤/MPP 的势能、自由基和主要气态产物的演变过程。在燃烧过程中，MPP 分解出的 PO 和 PO2 基团与 OH 和 H 反应，终止了气态燃烧链式反应。同时，MPP 分解的 NH3 稀释了氧气的浓度。最后，研究了 SiO2 和 MPP 的抑制机制。
{"title":"Coal dust combustion suppression via melamine polyphosphate and silica: Experiment and simulation","authors":"Shuang Geng , Ting Zhang , Xin Zhang , Shaoqian Cheng , Guoen Fu , Jianfu Xu , Wen Zhou , Yanhua Lan , Xueqiang Shi , Chi-Min Shu , Weiguo Cao","doi":"10.1016/j.fuel.2024.133596","DOIUrl":"10.1016/j.fuel.2024.133596","url":null,"abstract":"<div><div>Coal is extensively utilised to provide thermal energy for various industrial processes, such as ironmaking and steelmaking. However, it poses a certain threat due to the potential risk of dust explosion during processing. To address this issue, this study evaluated the effectiveness of melamine polyphosphate (MPP) as a solid inhibitor in suppressing coal dust explosions, and the inhibitory effect was compared with that of silica (SiO<sub>2</sub>). The experiments showed that flame propagation height and flame propagation velocity were suppressed with the increase of inhibitors. At a mass fraction of MPP of 0–25 mass%, the minimum ignition temperature increased from 540 to 640 °C, an increase of 18%. To reveal the mechanisms for the noticeable suppression of coal dust explosion by MPP, the evolution with potential energy, free radicals, and main gaseous products of coal and coal/MPP was simulated using reactive force field molecular dynamics (ReaxFF-MD). During combustion, the <img>PO and <img>PO<sub>2</sub> groups decomposed from MPP reacting with the <img>OH and <img>H and terminated the gaseous combustion chain reaction. Meanwhile, NH<sub>3</sub> decomposed by MPP diluted the concentration of oxygen. Finally, the suppression mechanisms of SiO<sub>2</sub> and MPP were investigated.</div></div>","PeriodicalId":325,"journal":{"name":"Fuel","volume":"381 ","pages":"Article 133596"},"PeriodicalIF":6.7,"publicationDate":"2024-11-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142652397","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 : 2024-11-13DOI: 10.1016/j.fuel.2024.133732
Dongyong Wang , Jianfa Chen , Meijun Li , Jianxun Wu , Quan Shi , Wenqiang Wang , Shuofan Li , Zichao Ran , Zi’ao Geng , Xin Wang , Huiqiang Qin , Xianli Zou , Sajjad Ali
Conventional biomarkers are least available for the origin and formation mechanism investigation in condensates due to their extremely low concentrations. Heteroatomic compounds in condensates can provide unique insights for their origin and formation, but these compounds are with the low separation ability by conventional mass spectrometry tools. They can be characterized with the advance of the high-resolution mass spectrometry, but few study focuses on the altered condensate oil and their molecular-level compositions. In this study, a total of 19 condensates are analyzed to study the effects of thermochemical sulfate reduction and evaporative fractionation on the changes of molecular compositions characterized by Orbitrap mass spectrometry. The results show that thermochemical sulfate reduction (TSR) make the oils considerably enriched in S1 species (sulfur-containing compounds with one sulfur atom) (>90 %) and depleted in CH2s species (hydrocarbons compounds) (<3%) relative to the non-TSR altered oils due to the consumption of hydrocarbon and yield of sulfur-containing compounds. Relatively abundant S1 species with low DBE (Double Bond Equivalent) values (0–3) likely corresponding to thiols and thioethers in TSR-altered oils. However, the relative abundance of CH2s species in the oils undergoing evaporative fraction are much higher than that in non-evaporative fraction altered oils leading by the strong solubility of hydrocarbon in gas. Therefore, the relative contents of heteroatomic compounds are significant for the TSR alteration and evaporative fraction definition of condensates and their origin investigation.
由于凝结物的浓度极低，传统的生物标志物最不适合用于研究凝结物的起源和形成机制。凝结物中的异原子化合物可以为研究凝结物的起源和形成提供独特的见解，但这些化合物在传统质谱工具下的分离能力较低。随着高分辨率质谱技术的发展，这些化合物的特征可以得到确定，但很少有研究关注变化了的凝析油及其分子级成分。本研究共分析了 19 种凝析油，研究热化学硫酸盐还原和蒸发分馏对 Orbitrap 质谱法表征的分子组成变化的影响。结果表明，与未进行热化学硫酸盐还原（TSR）的油品相比，由于碳氢化合物的消耗和含硫化合物的产生，热化学硫酸盐还原（TSR）使油品中的 S1 种类（含一个硫原子的含硫化合物）大大增加（90%），CH2s 种类（碳氢化合物）减少（3%）。在经过 TSR 改造的油类中，DBE（双键当量）值较低（0-3）的 S1 种类相对丰富，可能与硫醇和硫醚相对应。不过，由于碳氢化合物在气体中的溶解性很强，蒸发馏分改变的油类中 CH2s 种类的相对丰度远高于非蒸发馏分改变的油类。因此，杂原子化合物的相对含量对于凝析油的 TSR 改变和蒸发分馏定义及其来源研究具有重要意义。
{"title":"Molecular characterization of condensates altered by thermochemical sulfate reduction and evaporative fractionation using high-resolution mass spectrometry","authors":"Dongyong Wang , Jianfa Chen , Meijun Li , Jianxun Wu , Quan Shi , Wenqiang Wang , Shuofan Li , Zichao Ran , Zi’ao Geng , Xin Wang , Huiqiang Qin , Xianli Zou , Sajjad Ali","doi":"10.1016/j.fuel.2024.133732","DOIUrl":"10.1016/j.fuel.2024.133732","url":null,"abstract":"<div><div>Conventional biomarkers are least available for the origin and formation mechanism investigation in condensates due to their extremely low concentrations. Heteroatomic compounds in condensates can provide unique insights for their origin and formation, but these compounds are with the low separation ability by conventional mass spectrometry tools. They can be characterized with the advance of the high-resolution mass spectrometry, but few study focuses on the altered condensate oil and their molecular-level compositions. In this study, a total of 19 condensates are analyzed to study the effects of thermochemical sulfate reduction and evaporative fractionation on the changes of molecular compositions characterized by Orbitrap mass spectrometry. The results show that thermochemical sulfate reduction (TSR) make the oils considerably enriched in S<sub>1</sub> species (sulfur-containing compounds with one sulfur atom) (>90 %) and depleted in CH<sub>2</sub>s species (hydrocarbons compounds) (<3%) relative to the non-TSR altered oils due to the consumption of hydrocarbon and yield of sulfur-containing compounds. Relatively abundant S<sub>1</sub> species with low DBE (Double Bond Equivalent) values (0–3) likely corresponding to thiols and thioethers in TSR-altered oils. However, the relative abundance of CH<sub>2</sub>s species in the oils undergoing evaporative fraction are much higher than that in non-evaporative fraction altered oils leading by the strong solubility of hydrocarbon in gas. Therefore, the relative contents of heteroatomic compounds are significant for the TSR alteration and evaporative fraction definition of condensates and their origin investigation.</div></div>","PeriodicalId":325,"journal":{"name":"Fuel","volume":"381 ","pages":"Article 133732"},"PeriodicalIF":6.7,"publicationDate":"2024-11-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142651810","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}
The intricate composition of naphtha poses a significant challenge in formulating a comprehensive modeling approach for the production of light olefins. In this study, the intricate composition of the feedstock was described based on the weight percentage of the functional groups. At the same time, the distribution variations of the pyrolysis products were characterized using their stoichiometric coefficients (SCs). Consequently, a functional group-based approach was proposed to model the catalytic pyrolysis of multiple hydrocarbon mixtures over ZSM-5 based catalysts by establishing a quantitative correlation between the composition of the functional groups and the SCs of the pyrolysis products. Furthermore, a comprehensive functional group-based approach was developed to integrate catalyst properties by relating their acidity to the SCs of pyrolysis products. This modeling approach allows for precise forecasting of product compositions across a range of feedstocks and catalyst systems, with a maximum error of 1.15 wt%. In addition, this modeling method can also be used to optimize feedstock blends and tailor acid properties to maximize light olefin production, highlighting its potential for use in various hydrocarbon mixtures.
{"title":"A functional group-based approach containing catalyst properties to modeling catalytic pyrolysis of multiple hydrocarbon mixtures","authors":"Dongyang Liu, Haiping He, Duo Li, Liang Zhao, Jinsen Gao, Chunming Xu","doi":"10.1016/j.fuel.2024.133531","DOIUrl":"10.1016/j.fuel.2024.133531","url":null,"abstract":"<div><div>The intricate composition of naphtha poses a significant challenge in formulating a comprehensive modeling approach for the production of light olefins. In this study, the intricate composition of the feedstock was described based on the weight percentage of the functional groups. At the same time, the distribution variations of the pyrolysis products were characterized using their stoichiometric coefficients (SCs). Consequently, a functional group-based approach was proposed to model the catalytic pyrolysis of multiple hydrocarbon mixtures over ZSM-5 based catalysts by establishing a quantitative correlation between the composition of the functional groups and the SCs of the pyrolysis products. Furthermore, a comprehensive functional group-based approach was developed to integrate catalyst properties by relating their acidity to the SCs of pyrolysis products. This modeling approach allows for precise forecasting of product compositions across a range of feedstocks and catalyst systems, with a maximum error of 1.15 wt%. In addition, this modeling method can also be used to optimize feedstock blends and tailor acid properties to maximize light olefin production, highlighting its potential for use in various hydrocarbon mixtures.</div></div>","PeriodicalId":325,"journal":{"name":"Fuel","volume":"381 ","pages":"Article 133531"},"PeriodicalIF":6.7,"publicationDate":"2024-11-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142651813","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 : 2024-11-13DOI: 10.1016/j.fuel.2024.133717
Min Liu , Han Zhao , Xiaoqiang Du , Xiaoshuang Zhang
With the depletion of global energy, increasingly severe environmental problems and the pursuit of renewable energy and clean energy, electrocatalytic water splitting has become well-known as an efficient, stable and simple method of hydrogen production. In this paper, M−NiP@VP/NF (M=Co, Mo and Cr) composites were synthesized on nickel foam with low cost, abundant reserves, high conductivity and supportive properties by simple hydrothermal and phosphating methods. Among them, Co-NiP@VP/NF has excellent electrochemical catalytic activity for hydrogen evolution reaction (HER) in seawater electrolyte containing 1.0 M KOH and urea solution containing 1.0 M KOH due to its abundant active sites, dense nanoflower-like structures and accelerated electron transfer rate. The material has a very rich nanoflower-like structure that exposes many contact areas and provides active sites, which also provides the basis for its superior catalytic properties. Notably, the Co-NiP@VP/NF catalyst present overpotential of only 164 mV at 100 mA cm−2 in 1.0 M KOH + seawater electrolyte solution and has the lowest Tafel slope (65.41 mV dec-1) for HER. In addition, we also carried out a durability measurement for 15 h, and the result showed a sharp decline at first and then relatively stable. Finally, we also compared the study with other literature, and the catalytic activity of this catalyst is much better than that of most other catalysts. This paper provides a reasonable synthesis method with excellent performance, which provides a possibility for the subsequent extensive application and popularization of seawater.
随着全球能源的日益枯竭、环境问题的日益严峻以及人们对可再生能源和清洁能源的追求，电催化水分离作为一种高效、稳定、简单的制氢方法已广为人知。本文通过简单的水热法和磷化法，在泡沫镍上合成了具有低成本、储量丰富、高导电性和支持性的 M-NiP@VP/NF （M=Co、Mo 和 Cr）复合材料。其中，Co-NiP@VP/NF 在含 1.0 M KOH 的海水电解液和含 1.0 M KOH 的尿素溶液中，因其丰富的活性位点、致密的纳米花状结构和加速的电子传递速率，对氢进化反应（HER）具有优异的电化学催化活性。该材料具有非常丰富的纳米花状结构，暴露出许多接触区域并提供了活性位点，这也为其卓越的催化性能奠定了基础。值得注意的是，在 1.0 M KOH + 海水电解质溶液中，Co-NiP@VP/NF 催化剂在 100 mA cm-2 时的过电位仅为 164 mV，并且具有最低的 HER 塔菲尔斜率（65.41 mV dec-1）。此外，我们还进行了 15 小时的耐久性测量，结果显示起初会急剧下降，然后相对稳定。最后，我们还将研究结果与其他文献进行了比较，发现该催化剂的催化活性远远优于其他大多数催化剂。本文提供了一种性能优良的合理合成方法，为后续海水的广泛应用和推广提供了可能。
{"title":"Efficient hydrogen evolution reaction in alkaline seawater and urea using flower-like Co-NiP@VP/NF electrocatalyst","authors":"Min Liu , Han Zhao , Xiaoqiang Du , Xiaoshuang Zhang","doi":"10.1016/j.fuel.2024.133717","DOIUrl":"10.1016/j.fuel.2024.133717","url":null,"abstract":"<div><div>With the depletion of global energy, increasingly severe environmental problems and the pursuit of renewable energy and clean energy, electrocatalytic water splitting has become well-known as an efficient, stable and simple method of hydrogen production. In this paper, M−NiP@VP/NF (M=Co, Mo and Cr) composites were synthesized on nickel foam with low cost, abundant reserves, high conductivity and supportive properties by simple hydrothermal and phosphating methods. Among them, Co-NiP@VP/NF has excellent electrochemical catalytic activity for hydrogen evolution reaction (HER) in seawater electrolyte containing 1.0 M KOH and urea solution containing 1.0 M KOH due to its abundant active sites, dense nanoflower-like structures and accelerated electron transfer rate. The material has a very rich nanoflower-like structure that exposes many contact areas and provides active sites, which also provides the basis for its superior catalytic properties. Notably, the Co-NiP@VP/NF catalyst present overpotential of only 164 mV at 100 mA cm<sup>−2</sup> in 1.0 M KOH + seawater electrolyte solution and has the lowest Tafel slope (65.41 mV dec<sup>-1</sup>) for HER. In addition, we also carried out a durability measurement for 15 h, and the result showed a sharp decline at first and then relatively stable. Finally, we also compared the study with other literature, and the catalytic activity of this catalyst is much better than that of most other catalysts. This paper provides a reasonable synthesis method with excellent performance, which provides a possibility for the subsequent extensive application and popularization of seawater.</div></div>","PeriodicalId":325,"journal":{"name":"Fuel","volume":"381 ","pages":"Article 133717"},"PeriodicalIF":6.7,"publicationDate":"2024-11-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142651809","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 : 2024-11-13DOI: 10.1016/j.fuel.2024.133608
Ghinwa Alhalawani , Kevin Fajri , Sagheer A. Onaizi
Carbon dioxide (CO2) emissions have been a global challenge for a few decades and have been linked to an increase in the average Earth surface temperature. One of the captivating technologies to lower CO2 emissions is solid-state adsorbent technology. MgO-based adsorbents have a practical potential, mainly in the intermediate-temperature range since they are widely available, cheap, have high CO2 adsorption capacity, and only require low regeneration energy. Modifications of the MgO-based adsorbents could result in a better CO2 adsorption performance and a better cyclic stability, paving the way for practical applications. The key objective of this review is to provide the reader with detailed and comprehensive information on the recent research progress and development of utilizing MgO-based adsorbents for CO2 capture and mineralization. The CO2 adsorption capability of MgO-based adsorbents as well as their limitations will be discussed. Additionally, strategies to improve the performance of MgO-based adsorbents through, for instance, the promotion with alkali molten salts (AMS), creating MgO-nonmetallic composites, and amine-functionalization will be covered. The effects of the preparation methodology, operating conditions, in addition to adsorption mechanism, and regenerability of both low-temperature and intermediate-temperature MgO-based adsorbents are also evaluated. Furthermore, several insights and recommendations for future research works have been compiled.
{"title":"Recent advances in CO2 capture using MgO-based nanomaterials: A comprehensive review","authors":"Ghinwa Alhalawani , Kevin Fajri , Sagheer A. Onaizi","doi":"10.1016/j.fuel.2024.133608","DOIUrl":"10.1016/j.fuel.2024.133608","url":null,"abstract":"<div><div>Carbon dioxide (CO<sub>2</sub>) emissions have been a global challenge for a few decades and have been linked to an increase in the average Earth surface temperature. One of the captivating technologies to lower CO<sub>2</sub> emissions is solid-state adsorbent technology. MgO-based adsorbents have a practical potential, mainly in the intermediate-temperature range since they are widely available, cheap, have high CO<sub>2</sub> adsorption capacity, and only require low regeneration energy. Modifications of the MgO-based adsorbents could result in a better CO<sub>2</sub> adsorption performance and a better cyclic stability, paving the way for practical applications. The key objective of this review is to provide the reader with detailed and comprehensive information on the recent research progress and development of utilizing MgO-based adsorbents for CO<sub>2</sub> capture and mineralization. The CO<sub>2</sub> adsorption capability of MgO-based adsorbents as well as their limitations will be discussed. Additionally, strategies to improve the performance of MgO-based adsorbents through, for instance, the promotion with alkali molten salts (AMS), creating MgO-nonmetallic composites, and amine-functionalization will be covered. The effects of the preparation methodology, operating conditions, in addition to adsorption mechanism, and regenerability of both low-temperature and intermediate-temperature MgO-based adsorbents are also evaluated. Furthermore, several insights and recommendations for future research works have been compiled.</div></div>","PeriodicalId":325,"journal":{"name":"Fuel","volume":"381 ","pages":"Article 133608"},"PeriodicalIF":6.7,"publicationDate":"2024-11-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142651440","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}
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