Pub Date : 2024-11-27DOI: 10.1016/j.fuel.2024.133824
Haojie Li , Dongxu Song , Xuetao Wang , Xiuquan Li , Gaoyang Lei
Hydrogen fuel is considered to be one of the most potential energy sources that can replace fossil fuels in the future. Liquid organic hydrogen carrier formic acid (FA, HCOOH) has been widely concerned in hydrogen production due to its low price, high hydrogen content and the characteristic of easy storage and transportation. The catalyst design and synthesis play an important role in the hydrogen production from FA. The heterogeneous catalysts have become the main focus of research on hydrogen production due to their advantages of more stable, easier separation and higher recycling. In the review, the development of heterogeneous catalysts (reactive metal, catalyst carrier) in catalyzing formic acid decomposition to produce hydrogen are summarized systematacially, the influence of key factors on the overall catalytic hydrogen-producing activity of FA are described in detail. Meanwhile, the review introduces the application of machine learning in catalytic reactions, especially in the strategy of improving the hydrogen production of FA. In the end, the future development trend of hydrogen production from catalytic FA decomposes is prospected. This review can provide a reasonable theoretical basis for designing novel catalysts with high activity and economy in formic acid decomposition to produce hydrogen, and also brings enlightenment for the research direction of formic acid hydrogen production technology.
氢燃料被认为是未来可替代化石燃料的最具潜力的能源之一。液态有机氢载体甲酸（FA，HCOOH）因其价格低廉、氢含量高、易于储存和运输等特点，在制氢领域受到广泛关注。催化剂的设计和合成在甲酸制氢中起着重要作用。异相催化剂因其更稳定、更易分离、更高回收率等优点成为制氢研究的重点。综述系统总结了异相催化剂（活性金属、催化剂载体）在催化甲酸分解制氢方面的发展，详细阐述了关键因素对 FA 整体催化制氢活性的影响。同时，综述介绍了机器学习在催化反应中的应用，尤其是在提高 FA 产氢性能方面的策略。最后，展望了催化 FA 分解制氢的未来发展趋势。本综述可为设计甲酸分解制氢高活性、高经济性的新型催化剂提供合理的理论依据，同时也为甲酸制氢技术的研究方向带来启示。
{"title":"Recent progress on heterogeneous catalytic formic acid decomposition for hydrogen production","authors":"Haojie Li , Dongxu Song , Xuetao Wang , Xiuquan Li , Gaoyang Lei","doi":"10.1016/j.fuel.2024.133824","DOIUrl":"10.1016/j.fuel.2024.133824","url":null,"abstract":"<div><div>Hydrogen fuel is considered to be one of the most potential energy sources that can replace fossil fuels in the future. Liquid organic hydrogen carrier formic acid (FA, HCOOH) has been widely concerned in hydrogen production due to its low price, high hydrogen content and the characteristic of easy storage and transportation. The catalyst design and synthesis play an important role in the hydrogen production from FA. The heterogeneous catalysts have become the main focus of research on hydrogen production due to their advantages of more stable, easier separation and higher recycling. In the review, the development of heterogeneous catalysts (reactive metal, catalyst carrier) in catalyzing formic acid decomposition to produce hydrogen are summarized systematacially, the influence of key factors on the overall catalytic hydrogen-producing activity of FA are described in detail. Meanwhile, the review introduces the application of machine learning in catalytic reactions, especially in the strategy of improving the hydrogen production of FA. In the end, the future development trend of hydrogen production from catalytic FA decomposes is prospected. This review can provide a reasonable theoretical basis for designing novel catalysts with high activity and economy in formic acid decomposition to produce hydrogen, and also brings enlightenment for the research direction of formic acid hydrogen production technology.</div></div>","PeriodicalId":325,"journal":{"name":"Fuel","volume":"383 ","pages":"Article 133824"},"PeriodicalIF":6.7,"publicationDate":"2024-11-27","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142720622","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.2024.133769
James Goodman, Aditya Dhankhar, Abhijit Date, Petros Lappas
Ammonia as a renewable fuel has potential to replace hydrocarbons in internal combustion engines, as carbon emissions are absent from the exhaust products. Before it can be considered a viable alternative, its combustion characteristics under Internal Combustion (IC) engine conditions must be thoroughly understood. One of the critical characteristics of combustion for the development of an IC engine is the laminar flame speed (LFS). To date, several studies have been carried out on ammonia–air to measure laminar flame speeds under ambient conditions (herein described as low temperature & pressure) but these conditions are very different to those during IC engine operation. Some studies of the laminar flame speed at elevated pressures & temperatures, including close to IC engine operating conditions, have been published but this information is incomplete and is found in scattered sources. A single reliable source is in demand and one focus of this paper is to consolidate the published information for ammonia–air laminar flame speed characteristics to create interest in ammonia–air based IC engine development. The Cantera software package was used to study various ammonia combustion reaction mechanisms and compare their flame speed predictions with available experimental data. The relevant unburnt gas IC engine conditions were identified and used as initial conditions for the simulations conducted in this study. Our study concludes that experimental validation is required to prove the accuracy of the simulations at engine conditions. In addition, we examine discrepancies that still exist between modeling and experiment LFS under initial conditions that have been studied extensively in the past such as ambient pressures and temperatures.
{"title":"Ammonia–air laminar flame speeds from ambient to IC engine conditions: A review","authors":"James Goodman, Aditya Dhankhar, Abhijit Date, Petros Lappas","doi":"10.1016/j.fuel.2024.133769","DOIUrl":"10.1016/j.fuel.2024.133769","url":null,"abstract":"<div><div>Ammonia as a renewable fuel has potential to replace hydrocarbons in internal combustion engines, as carbon emissions are absent from the exhaust products. Before it can be considered a viable alternative, its combustion characteristics under Internal Combustion (IC) engine conditions must be thoroughly understood. One of the critical characteristics of combustion for the development of an IC engine is the laminar flame speed (LFS). To date, several studies have been carried out on ammonia–air to measure laminar flame speeds under ambient conditions (herein described as low temperature & pressure) but these conditions are very different to those during IC engine operation. Some studies of the laminar flame speed at elevated pressures & temperatures, including close to IC engine operating conditions, have been published but this information is incomplete and is found in scattered sources. A single reliable source is in demand and one focus of this paper is to consolidate the published information for ammonia–air laminar flame speed characteristics to create interest in ammonia–air based IC engine development. The Cantera software package was used to study various ammonia combustion reaction mechanisms and compare their flame speed predictions with available experimental data. The relevant unburnt gas IC engine conditions were identified and used as initial conditions for the simulations conducted in this study. Our study concludes that experimental validation is required to prove the accuracy of the simulations at engine conditions. In addition, we examine discrepancies that still exist between modeling and experiment LFS under initial conditions that have been studied extensively in the past such as ambient pressures and temperatures.</div></div>","PeriodicalId":325,"journal":{"name":"Fuel","volume":"383 ","pages":"Article 133769"},"PeriodicalIF":6.7,"publicationDate":"2024-11-27","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142720619","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2024-11-27DOI: 10.1016/j.fuel.2024.133750
Fausto Viteri, Katiuska Alexandrino, Ángela Millera, Rafael Bilbao, María U. Alzueta
The influence of the temperature (1075 – 1475 K) and inlet concentration of fuel (33,333 and 50,000 ppmv) on the formation of the 16 EPA-priority Polycyclic Aromatic Hydrocarbons (PAH) from the pyrolysis of dimethoxymethane (DMM) was analyzed. PAH were detected in different phases (gas phase, adsorbed on soot, and stuck on the reactor walls) and quantified by gas chromatography-mass spectrometry (GC–MS). Additionally, the toxicity of the PAH samples, expressed as B[a]P-eq, was analyzed in all experiments. A comparison with the results obtained from the pyrolysis of other oxygenated compounds was also performed and similar behaviors were observed. The main results showed that, at low temperatures, the highest concentrations of PAH were found in the gas phase, while at high temperatures were found on soot. For both inlet concentrations of DMM, the light PAH, such as naphthalene and acenaphthylene, were found in major concentrations, in all phases and temperatures. The heavy PAH, such as fluoranthene and pyrene, increased its concentration on soot at highest temperatures. The highest formation of soot was obtained at 1475 K and follows the trend: 2,5DMF < tert-butanol < 2MF < 2butanol < iso-butanol < 1-butanol < ethanol < DMC < DMM. The highest formation of PAH was at 1275 K with the tendency: tert-butanol < 2-butanol < 1-butanol < 2,5DMF < 2MF < iso-butanol < ethanol < DMC < DMM. The highest B[a]P-eq value was found in the pyrolysis of 2,5DMF, and the lowest in the pyrolysis of DMM.
{"title":"Polycyclic aromatic hydrocarbons formed during the pyrolysis of dimethoxymethane (DMM). Comparison with other oxygenated additives","authors":"Fausto Viteri, Katiuska Alexandrino, Ángela Millera, Rafael Bilbao, María U. Alzueta","doi":"10.1016/j.fuel.2024.133750","DOIUrl":"10.1016/j.fuel.2024.133750","url":null,"abstract":"<div><div>The influence of the temperature (1075 – 1475 K) and inlet concentration of fuel (33,333 and 50,000 ppmv) on the formation of the 16 EPA-priority Polycyclic Aromatic Hydrocarbons (PAH) from the pyrolysis of dimethoxymethane (DMM) was analyzed. PAH were detected in different phases (gas phase, adsorbed on soot, and stuck on the reactor walls) and quantified by gas chromatography-mass spectrometry (GC–MS). Additionally, the toxicity of the PAH samples, expressed as B[<em>a</em>]P-eq, was analyzed in all experiments. A comparison with the results obtained from the pyrolysis of other oxygenated compounds was also performed and similar behaviors were observed. The main results showed that, at low temperatures, the highest concentrations of PAH were found in the gas phase, while at high temperatures were found on soot. For both inlet concentrations of DMM, the light PAH, such as naphthalene and acenaphthylene, were found in major concentrations, in all phases and temperatures. The heavy PAH, such as fluoranthene and pyrene, increased its concentration on soot at highest temperatures. The highest formation of soot was obtained at 1475 K and follows the trend: 2,5DMF < <em>tert</em>-butanol < 2MF < 2butanol < <em>iso</em>-butanol < 1-butanol < ethanol < DMC < DMM. The highest formation of PAH was at 1275 K with the tendency: <em>tert</em>-butanol < 2-butanol < 1-butanol < 2,5DMF < 2MF < <em>iso</em>-butanol < ethanol < DMC < DMM. The highest B[<em>a</em>]P-eq value was found in the pyrolysis of 2,5DMF, and the lowest in the pyrolysis of DMM.</div></div>","PeriodicalId":325,"journal":{"name":"Fuel","volume":"383 ","pages":"Article 133750"},"PeriodicalIF":6.7,"publicationDate":"2024-11-27","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142720621","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2024-11-27DOI: 10.1016/j.fuel.2024.133861
Motahareh Vares , Ataallah Sari , Fereydoon Yaripour
The lack of accurate recognition of the reaction kinetics and the catalyst deactivation are challenges in commercializing the methanol-to-propylene process (MTP). Accordingly, this research aims to develop reliable intrinsic kinetic models for MTP reactions and catalyst deactivation on an industrial ZSM-5 catalyst. An efficient reaction network was developed based on a combination of hydrocarbon pool and dual-cycle mechanisms considering individual pathways for producing olefins, paraffins, and aromatics. Six deactivating models were investigated based on the possible coke precursors of aromatics, olefins, and oxygenates. Since the deactivation rate of the catalyst at normal operating conditions is slow, the “acceleration deactivation” technique was employed to reduce the time and cost of deactivating experiments. The proposed kinetic models considered the combined effect of water on reducing the rate of progress of reactions and catalyst deactivation. The experiments were performed in a fixed-bed reactor under conditions relevant to industrial operations leading to a full conversion of oxygenates as follows: temperature of 733–763 K, feed WHSV of 5–14 h−1, and feed methanol content of 50–93 wt%. Therefore, the model is only valid for predicting the behavior of the reactors operating under full conversion conditions, making it useful for the simulation of industrial reactors. Oxygenates were found to be the main responsible for catalyst deactivation through coke formation by parallel decay reactions according to first-order kinetics. The detrimental effect of water in suppressing MTP reactions is overshadowed by its benefit in surviving the catalyst activity. Reducing the feed WHSV and increasing the reaction temperature and water content enhance feed conversion and propylene selectivity. A good agreement between the calculated results and experimental data was observed with average errors of less than 10 % and 3 % for kinetic models of reaction and catalyst deactivation, respectively. This confirms the accuracy of these kinetic models, making them reliable for designing and optimizing industrial reactors.
{"title":"Intrinsic reaction and deactivation kinetics of Methanol-to-Propylene process (MTP) over an industrial ZSM-5 catalyst","authors":"Motahareh Vares , Ataallah Sari , Fereydoon Yaripour","doi":"10.1016/j.fuel.2024.133861","DOIUrl":"10.1016/j.fuel.2024.133861","url":null,"abstract":"<div><div>The lack of accurate recognition of the reaction kinetics and the catalyst deactivation are challenges in commercializing the methanol-to-propylene process (MTP). Accordingly, this research aims to develop reliable intrinsic kinetic models for MTP reactions and catalyst deactivation on an industrial ZSM-5 catalyst. An efficient reaction network was developed based on a combination of hydrocarbon pool and dual-cycle mechanisms considering individual pathways for producing olefins, paraffins, and aromatics. Six deactivating models were investigated based on the possible coke precursors of aromatics, olefins, and oxygenates. Since the deactivation rate of the catalyst at normal operating conditions is slow, the “acceleration deactivation” technique was employed to reduce the time and cost of deactivating experiments. The proposed kinetic models considered the combined effect of water on reducing the rate of progress of reactions and catalyst deactivation. The experiments were performed in a fixed-bed reactor under conditions relevant to industrial operations leading to a full conversion of oxygenates as follows: temperature of 733–763 <em>K</em>, feed WHSV of 5–14 <em>h</em><sup>−1</sup>, and feed methanol content of 50–93 wt%. Therefore, the model is only valid for predicting the behavior of the reactors operating under full conversion conditions, making it useful for the simulation of industrial reactors. Oxygenates were found to be the main responsible for catalyst deactivation through coke formation by parallel decay reactions according to first-order kinetics. The detrimental effect of water in suppressing MTP reactions is overshadowed by its benefit in surviving the catalyst activity. Reducing the feed WHSV and increasing the reaction temperature and water content enhance feed conversion and propylene selectivity. A good agreement between the calculated results and experimental data was observed with average errors of less than 10 % and 3 % for kinetic models of reaction and catalyst deactivation, respectively. This confirms the accuracy of these kinetic models, making them reliable for designing and optimizing industrial reactors.</div></div>","PeriodicalId":325,"journal":{"name":"Fuel","volume":"383 ","pages":"Article 133861"},"PeriodicalIF":6.7,"publicationDate":"2024-11-27","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142720623","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 : 2024-11-26DOI: 10.1016/j.fuel.2024.133864
Alanderson A.A. Alves, Raissa S. Alves, Peterson Y.G. de Medeiros, Lucas C. Maia, Filipe X. Feitosa, Hosiberto B. de Sant’Ana
This study investigates the importance of biodiesel as an alternative fuel to reduce pollutant emissions from diesel engines and mitigate the ecological impacts of fossil fuels. Biodiesel, derived from renewable sources, is notable for its environmental benefits and is produced through a transesterification reaction. This study aims to provide distillation data for biodiesel-diesel blends using grape seed, corn, and linseed biodiesel; the volumetric compositions analyzed are 20 %, 40 %, 60 %, and 80 % biodiesel in diesel. These data were obtained with an Anton Paar Diana 700 automatic distiller. Additionally, properties such as density, viscosity, refractive index, cetane index, and flashpoint were evaluated by the American Society for Testing and Materials − ASTM D975 (diesel) and ASTM D6751 (biodiesel) standards. Two correlative models based on the Riazi and Daubert were developed to calculate distillation temperatures and the distillation curves of diesel and biodiesel mixtures. A total of 207 experimental distillation points were determined. The results indicated that biodiesel addition shifts the distillation curves to higher temperatures, affecting both volatility and combustion. The pseudopure curves of biodiesels differed significantly from those of diesel because of the chemical differences between the compounds. The proposed correlations for biodiesel and diesel + biodiesel mixtures exhibited mean absolute percentage deviation (MAPD) of 3.61 %, 1.59 %, and 1.61 % for distillation temperatures at 10 %, 50 %, and 90 % of the distilled volume, respectively, for biodiesel. For the volumetric proportions of 20 %, 40 %, 60 %, and 80 % of biodiesel in the mixture, deviations of 1.46 %, 1.25 %, 1.06 %, and 0.83 % were observed without systematic deviations with increased biodiesel content. The correlations proposed for biodiesel and diesel + biodiesel mixtures demonstrated acceptable deviations, significantly contributing to the understanding and advancement of biofuels. Comparisons of the physical properties of the blends with the ASTM D975 standard confirmed compliance up to a proportion in the range of 67–76 % biodiesel by volume for viscosity and 37 % for density.
{"title":"Distillation analysis of diesel-biodiesel mixtures: A comparative study with ASTM norms, experimental data, and novel correlations","authors":"Alanderson A.A. Alves, Raissa S. Alves, Peterson Y.G. de Medeiros, Lucas C. Maia, Filipe X. Feitosa, Hosiberto B. de Sant’Ana","doi":"10.1016/j.fuel.2024.133864","DOIUrl":"10.1016/j.fuel.2024.133864","url":null,"abstract":"<div><div>This study investigates the importance of biodiesel as an alternative fuel to reduce pollutant emissions from diesel engines and mitigate the ecological impacts of fossil fuels. Biodiesel, derived from renewable sources, is notable for its environmental benefits and is produced through a transesterification reaction. This study aims to provide distillation data for biodiesel-diesel blends using grape seed, corn, and linseed biodiesel; the volumetric compositions analyzed are 20 %, 40 %, 60 %, and 80 % biodiesel in diesel. These data were obtained with an Anton Paar Diana 700 automatic distiller. Additionally, properties such as density, viscosity, refractive index, cetane index, and flashpoint were evaluated by the American Society for Testing and Materials − ASTM D975 (diesel) and ASTM D6751 (biodiesel) standards. Two correlative models based on the Riazi and Daubert were developed to calculate distillation temperatures and the distillation curves of diesel and biodiesel mixtures. A total of 207 experimental distillation points were determined. The results indicated that biodiesel addition shifts the distillation curves to higher temperatures, affecting both volatility and combustion. The pseudopure curves of biodiesels differed significantly from those of diesel because of the chemical differences between the compounds. The proposed correlations for biodiesel and diesel + biodiesel mixtures exhibited mean absolute percentage deviation (MAPD) of 3.61 %, 1.59 %, and 1.61 % for distillation temperatures at 10 %, 50 %, and 90 % of the distilled volume, respectively, for biodiesel. For the volumetric proportions of 20 %, 40 %, 60 %, and 80 % of biodiesel in the mixture, deviations of 1.46 %, 1.25 %, 1.06 %, and 0.83 % were observed without systematic deviations with increased biodiesel content. The correlations proposed for biodiesel and diesel + biodiesel mixtures demonstrated acceptable deviations, significantly contributing to the understanding and advancement of biofuels. Comparisons of the physical properties of the blends with the ASTM D975 standard confirmed compliance up to a proportion in the range of 67–76 % biodiesel by volume for viscosity and 37 % for density.</div></div>","PeriodicalId":325,"journal":{"name":"Fuel","volume":"383 ","pages":"Article 133864"},"PeriodicalIF":6.7,"publicationDate":"2024-11-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142704840","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 : 2024-11-26DOI: 10.1016/j.fuel.2024.133860
Xingyan Liu , Tianrong Xiong , Yonggang Xu , Kunhe Yang , Youzhou He , Haifeng Yang , Hong Wu , Jiajia Jing , Siqi Li , Siping Wei
Defect engineering for MOFs is a promising approach to accelerate the charge transfer to further enhance the photocatalytic performance. Up to now, the current defect engineering strategy for MOFs mainly focuses on a single adjustment mode with the apparent ceiling effect, whether the further break out of the ceiling effect could be achieved through the combination of two or more adjustment modes is still in its infancy. In this work, the original NH2-MIL-125 was firstly adjusted by a single adjustment mode in ethanol solvothermal method to obtain partially linker defective NM-125-X (where X signifies the distinct temperatures used in the solvothermal treatment, with optimal results observed at X = 120). Subsequently, the NM-125-120 was further re-regulated by adjusting the ligand defects through another adjustment mode in water heating agitation, resulting in the ultimate defective NM-125-120-65. The NM-125-120-65 obtained through double defect engineering avenue showed superior photocatalytic performance with the hydrogen production rate of 11585.23 μmol·g−1, which was 1.23 and 14.05 times as those of partially defective NM-125-120 (9427.65 μmol·g−1) and original NH2-MIL-125 (824.85 μmol·g−1), respectively. In addition, the NO removal rate of NM-125-120-65 was 64.8 % also higher than that of NM-125-120 (37.8 %) and NH2-MIL-125 (23.6 %). Through a series of comparative experiments, especially TGA and XPS, it was noted that the ligand defective NH2-MIL-125 can be formed by ethanol solvothermal method, and it was also confirmed that through further re-regulating the ligand defects in water heating agitation, the linker defects could also be further expanded. The PL emission spectra, IT diagrams, and EIS measurements displayed that the NM-125-120-65 had outstanding conductivity and excellent electron mobility compared to NM-125-120 and NH2-MIL-125. This work provided a novel approach for the subsequent defect engineering by another adjustment mode based on the existing defective MOFs via double linker defect engineering adjustment modes, so as to further obtain better photocatalytic performance for solving the environmental and energy crisis.
{"title":"A convenient double defect engineering avenue for NH2-MIL-125 to enhance photocatalytic hydrogen evolution and NO removal via accelerating the electron mobility","authors":"Xingyan Liu , Tianrong Xiong , Yonggang Xu , Kunhe Yang , Youzhou He , Haifeng Yang , Hong Wu , Jiajia Jing , Siqi Li , Siping Wei","doi":"10.1016/j.fuel.2024.133860","DOIUrl":"10.1016/j.fuel.2024.133860","url":null,"abstract":"<div><div>Defect engineering for MOFs is a promising approach to accelerate the charge transfer to further enhance the photocatalytic performance. Up to now, the current defect engineering strategy for MOFs mainly focuses on a single adjustment mode with the apparent ceiling effect, whether the further break out of the ceiling effect could be achieved through the combination of two or more adjustment modes is still in its infancy. In this work, the original NH<sub>2</sub>-MIL-125 was firstly adjusted by a single adjustment mode in ethanol solvothermal method to obtain partially linker defective NM-125-X (where X signifies the distinct temperatures used in the solvothermal treatment, with optimal results observed at X = 120). Subsequently, the NM-125-120 was further re-regulated by adjusting the ligand defects through another adjustment mode in water heating agitation, resulting in the ultimate defective NM-125-120-65. The NM-125-120-65 obtained through double defect engineering avenue showed superior photocatalytic performance with the hydrogen production rate of 11585.23 μmol·g<sup>−1</sup>, which was 1.23 and 14.05 times as those of partially defective NM-125-120 (9427.65 μmol·g<sup>−1</sup>) and original NH<sub>2</sub>-MIL-125 (824.85 μmol·g<sup>−1</sup>), respectively. In addition, the NO removal rate of NM-125-120-65 was 64.8 % also higher than that of NM-125-120 (37.8 %) and NH<sub>2</sub>-MIL-125 (23.6 %). Through a series of comparative experiments, especially TGA and XPS, it was noted that the ligand defective NH<sub>2</sub>-MIL-125 can be formed by ethanol solvothermal method, and it was also confirmed that through further re-regulating the ligand defects in water heating agitation, the linker defects could also be further expanded. The PL emission spectra, IT diagrams, and EIS measurements displayed that the NM-125-120-65 had outstanding conductivity and excellent electron mobility compared to NM-125-120 and NH<sub>2</sub>-MIL-125. This work provided a novel approach for the subsequent defect engineering by another adjustment mode based on the existing defective MOFs via double linker defect engineering adjustment modes, so as to further obtain better photocatalytic performance for solving the environmental and energy crisis.</div></div>","PeriodicalId":325,"journal":{"name":"Fuel","volume":"383 ","pages":"Article 133860"},"PeriodicalIF":6.7,"publicationDate":"2024-11-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142720484","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 : 2024-11-26DOI: 10.1016/j.fuel.2024.133782
Xuan Wang , Wenjian Huang , Guangzhen Gao, Yubing Yang, Hui Yang, Tingdong Cai
A system based on off-axis cavity enhanced absorption spectroscopy (OA-CEAS) integrated with frequency division multiplexing (FDM)-assisted wavelength modulation spectroscopy (WMS) was developed for simultaneous measurements of temperature, CO2, and CO in flames by employing two distributed feedback (DFB) diode lasers at 2.0 µm and 2.3 µm. An integrated cavity with an open-path configuration was made up of two cavity mirrors with a reflectivity of 99.8 %, and an effective optical absorption path length of approximately 5.2 m was achieved within a 6 cm diameter flame region. A CO2 line pair at 4990.418 cm−1 and 4990.664 cm−1, along with a CO line at 4300.699 cm−1, were selected as the measurement targets. The system was initially calibrated in a heated static cell and subsequently tested in C2H4/air premixed flat flames for six different equivalence ratios. All concentrations measured by the 1f-normalized 2f signals were compared with the results obtained from both the direct absorption signals and simulations based on adiabatic chemical equilibrium calculations using Chemkin. Additionally, the measured temperatures were compared with the thermocouple readings. According to the measurements conducted at representative C2H4 flames with different equivalence ratios, the accuracies for the measurements of temperature, CO2 concentrations, and CO concentrations were ∼1.062 %, ∼1.082 %, and ∼1.052 %, respectively. All the measurements illustrate the potential of the system for combustion diagnosis.
{"title":"FDM-assisted OA-CEAS system for simultaneous measurements of temperature, CO2, and CO in flames","authors":"Xuan Wang , Wenjian Huang , Guangzhen Gao, Yubing Yang, Hui Yang, Tingdong Cai","doi":"10.1016/j.fuel.2024.133782","DOIUrl":"10.1016/j.fuel.2024.133782","url":null,"abstract":"<div><div>A system based on off-axis cavity enhanced absorption spectroscopy (OA-CEAS) integrated with frequency division multiplexing (FDM)-assisted wavelength modulation spectroscopy (WMS) was developed for simultaneous measurements of temperature, CO<sub>2</sub>, and CO in flames by employing two distributed feedback (DFB) diode lasers at 2.0 µm and 2.3 µm. An integrated cavity with an open-path configuration was made up of two cavity mirrors with a reflectivity of 99.8 %, and an effective optical absorption path length of approximately 5.2 m was achieved within a 6 cm diameter flame region. A CO<sub>2</sub> line pair at 4990.418 cm<sup>−1</sup> and 4990.664 cm<sup>−1</sup>, along with a CO line at 4300.699 cm<sup>−1</sup>, were selected as the measurement targets. The system was initially calibrated in a heated static cell and subsequently tested in C<sub>2</sub>H<sub>4</sub>/air premixed flat flames for six different equivalence ratios. All concentrations measured by the 1<em>f</em>-normalized 2<em>f</em> signals were compared with the results obtained from both the direct absorption signals and simulations based on adiabatic chemical equilibrium calculations using Chemkin. Additionally, the measured temperatures were compared with the thermocouple readings. According to the measurements conducted at representative C<sub>2</sub>H<sub>4</sub> flames with different equivalence ratios, the accuracies for the measurements of temperature, CO<sub>2</sub> concentrations, and CO concentrations were ∼1.062 %, ∼1.082 %, and ∼1.052 %, respectively. All the measurements illustrate the potential of the system for combustion diagnosis.</div></div>","PeriodicalId":325,"journal":{"name":"Fuel","volume":"383 ","pages":"Article 133782"},"PeriodicalIF":6.7,"publicationDate":"2024-11-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142704838","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 : 2024-11-26DOI: 10.1016/j.fuel.2024.133813
Y. Vijrumbana , M. Srinivasarao , Ekenechukwu C. Okafor , Binod Raj Giri , V. Mahendra Reddy
Ammonia has garnered considerable attention among researchers as a carbon–neutral fuel option. Addressing the challenge of its inherently slow combustion kinetics, significant research efforts have been directed toward mitigating NOx emissions, which represents a critical hurdle in advancing the commercial viability of ammonia as a sustainable fuel. The rich-lean combustion approach has been advocated and demonstrated as the primary means to keep NOX within acceptable emission limits. However, in the current study, a distributed fuel and air injection strategy is proposed and investigated as a superior alternative compared to the traditional rich-lean method for NOX reduction for NH3/H2-air mixtures with higher ammonia fuel fraction ( = 50 − 90 %). The proposed lean-rich-lean strategy with multi-staging of fuel and air supply is achieved by injecting NH3-air mixtures into H2-air combustion products followed by a downstream supply of preheated dilution air. Such an injection strategy manages the surge of NHi and O/H radicals while avoiding local temperature peaks by implementing a two-stage ignition pattern of NH3/H2 blends combustion in series. NOX reductions of approximately 48 % and 7 % for = 50 % and 70 %, respectively, is achieved with the lean-rich-lean combustion strategy compared to the rich-lean strategy over a wide range of global equivalence ratios = 0.3 to 0.7). The lean-rich-lean combustion strategy for atmospheric NH3/H2-air swirl flames, when integrated with advanced SCR technology, is anticipated to demonstrate a viable approach to achieving zero carbon and low NOX emissions in industrial applications.
{"title":"Chemical kinetics of Lean − Rich − Lean fuel-air staged NH3/H2-air combustion for emission control","authors":"Y. Vijrumbana , M. Srinivasarao , Ekenechukwu C. Okafor , Binod Raj Giri , V. Mahendra Reddy","doi":"10.1016/j.fuel.2024.133813","DOIUrl":"10.1016/j.fuel.2024.133813","url":null,"abstract":"<div><div>Ammonia has garnered considerable attention among researchers as a carbon–neutral fuel option. Addressing the challenge of its inherently slow combustion kinetics, significant research efforts have been directed toward mitigating NOx emissions, which represents a critical hurdle in advancing the commercial viability of ammonia as a sustainable fuel. The rich-lean combustion approach has been advocated and demonstrated as the primary means to keep NO<sub>X</sub> within acceptable emission limits. However, in the current study, a distributed fuel and air injection strategy is proposed and investigated as a superior alternative compared to the traditional rich-lean method for NO<sub>X</sub> reduction for NH<sub>3</sub>/H<sub>2</sub>-air mixtures with higher ammonia fuel fraction (<span><math><mrow><msub><mi>X</mi><msub><mrow><mi>N</mi><mi>H</mi></mrow><mn>3</mn></msub></msub></mrow></math></span> = 50 − 90 %). The proposed lean-rich-lean strategy with multi-staging of fuel and air supply is achieved by injecting NH<sub>3</sub>-air mixtures into H<sub>2</sub>-air combustion products followed by a downstream supply of preheated dilution air. Such an injection strategy manages the surge of NH<sub>i</sub> and O/H radicals while avoiding local temperature peaks by implementing a two-stage ignition pattern of NH<sub>3</sub>/H<sub>2</sub> blends combustion in series. NO<sub>X</sub> reductions of approximately 48 % and 7 % for<span><math><mrow><msub><mi>X</mi><msub><mrow><mi>N</mi><mi>H</mi></mrow><mn>3</mn></msub></msub></mrow></math></span> = 50 % and 70 %, respectively, is achieved with the lean-rich-lean combustion strategy compared to the rich-lean strategy over a wide range of global equivalence ratios<span><math><mrow><mo>(</mo><msub><mi>ϕ</mi><mi>G</mi></msub></mrow></math></span> = 0.3 to 0.7). The lean-rich-lean combustion strategy for atmospheric NH<sub>3</sub>/H<sub>2</sub>-air swirl flames, when integrated with advanced SCR technology, is anticipated to demonstrate a viable approach to achieving zero carbon and low NO<sub>X</sub> emissions in industrial applications.</div></div>","PeriodicalId":325,"journal":{"name":"Fuel","volume":"383 ","pages":"Article 133813"},"PeriodicalIF":6.7,"publicationDate":"2024-11-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142720481","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 : 2024-11-26DOI: 10.1016/j.fuel.2024.133821
Dongyufu Zhang , Jin Yang , Huanhuan Wang , Xiao Li
Marine gas-bearing sediments are extensively distributed worldwide, and the gases entrapped within these sediments hold significant potential as hydrocarbon fuels, offering a partial solution to global fuel demands. However, the presence of gas notably influences the physical properties of these sediments. Consequently, comprehensive research into gas-bearing sediments is crucial, as it will provide the critical scientific foundations to support the diversification of global energy resources and contribute to sustainable development. Building upon the theory of acoustic wave propagation in gas-bearing sediments, this study modified the acoustic model by enhancing methodologies for identifying multiple key parameters and incorporating additional physical properties of the sediment as variables. Marine gas-bearing sediment with multiple physical properties were replicated in the laboratory, and their acoustic characteristics were systematically measured. Findings indicated a direct correlation between density and compressional wave velocity, whereas logarithmic grain size, bubble void fraction, and clay content were inversely proportionate to compressional wave velocity. Notably, the trend of compressional wave attenuation contradicted that of velocity. Through comparison of experimental data with theoretical calculations, the accuracy of the modified acoustic model was verified. Sensitivity analysis was performed through numerical methods, simulating acoustic characteristics under a range of conditions to investigate the effects of sediment physical properties. To streamline the model, a double-parameter model for the acoustic characteristics of marine gas-bearing sediments was developed using multiple regression analysis theory, thereby providing novel scientific insights that can significantly advance research in the domain of energy fuels.
{"title":"Theoretical and experimental studies on the physical properties and acoustic characteristics of marine gas-bearing sediments","authors":"Dongyufu Zhang , Jin Yang , Huanhuan Wang , Xiao Li","doi":"10.1016/j.fuel.2024.133821","DOIUrl":"10.1016/j.fuel.2024.133821","url":null,"abstract":"<div><div>Marine gas-bearing sediments are extensively distributed worldwide, and the gases entrapped within these sediments hold significant potential as hydrocarbon fuels, offering a partial solution to global fuel demands. However, the presence of gas notably influences the physical properties of these sediments. Consequently, comprehensive research into gas-bearing sediments is crucial, as it will provide the critical scientific foundations to support the diversification of global energy resources and contribute to sustainable development. Building upon the theory of acoustic wave propagation in gas-bearing sediments, this study modified the acoustic model by enhancing methodologies for identifying multiple key parameters and incorporating additional physical properties of the sediment as variables. Marine gas-bearing sediment with multiple physical properties were replicated in the laboratory, and their acoustic characteristics were systematically measured. Findings indicated a direct correlation between density and compressional wave velocity, whereas logarithmic grain size, bubble void fraction, and clay content were inversely proportionate to compressional wave velocity. Notably, the trend of compressional wave attenuation contradicted that of velocity. Through comparison of experimental data with theoretical calculations, the accuracy of the modified acoustic model was verified. Sensitivity analysis was performed through numerical methods, simulating acoustic characteristics under a range of conditions to investigate the effects of sediment physical properties. To streamline the model, a double-parameter model for the acoustic characteristics of marine gas-bearing sediments was developed using multiple regression analysis theory, thereby providing novel scientific insights that can significantly advance research in the domain of energy fuels.</div></div>","PeriodicalId":325,"journal":{"name":"Fuel","volume":"383 ","pages":"Article 133821"},"PeriodicalIF":6.7,"publicationDate":"2024-11-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142720485","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}
This study explores green hydrogen production via low-temperature water electrolysis powered by regional solar energy. A comprehensive techno-economic analysis was conducted to evaluate hydrogen production flow rate and unit costs using computational models developed in the Engineering Equation Solver (EES) and Aspen Plus software. Experimental setups at Afyon Kocatepe University’s energy laboratories were designed to validate these models, showing close alignment between computational and experimental results. Key findings demonstrate the feasibility of solar-assisted hydrogen production, with energy requirements reduced to 52.12 kWh/kg H2 by preheating water to 360 K. The small-scale prototype achieved a maximum hydrogen production rate of 1.829 × 10−6 kg/s, with energy and exergy efficiencies of 64.0 % and 62.46 %, respectively. The calculated levelized cost of hydrogen (LCOH) was 5.84 $/kg H2, with a payback period of 6.9 years, indicating long-term economic viability. This research also introduced novel electrode configurations and fluid variations, optimizing system efficiency under an average solar irradiance of 600 W/m2. This study supports the technical and economic feasibility of solar-driven hydrogen production in the Afyon region by assessing energy, exergy, and techno-economic parameters. It underscores its potential to reduce energy costs and contribute to Turkey’s energy security. The study highlights limitations, including the challenges of scaling up and solar irradiance variability, and suggests avenues for future research to optimize further and expand this technology.
{"title":"Techno-economic analysis and experimental validation of solar-assisted low-temperature water electrolysis for green hydrogen production: Insights from Afyonkarahisar","authors":"Ceyhun Yilmaz , Safiye Nur Ozdemir , Umut Kocak , Nehir Tokgoz","doi":"10.1016/j.fuel.2024.133762","DOIUrl":"10.1016/j.fuel.2024.133762","url":null,"abstract":"<div><div>This study explores green hydrogen production via low-temperature water electrolysis powered by regional solar energy. A comprehensive techno-economic analysis was conducted to evaluate hydrogen production flow rate and unit costs using computational models developed in the Engineering Equation Solver (EES) and Aspen Plus software. Experimental setups at Afyon Kocatepe University’s energy laboratories were designed to validate these models, showing close alignment between computational and experimental results. Key findings demonstrate the feasibility of solar-assisted hydrogen production, with energy requirements reduced to 52.12 kWh/kg H<sub>2</sub> by preheating water to 360 K. The small-scale prototype achieved a maximum hydrogen production rate of 1.829 × 10<sup>−6</sup> kg/s, with energy and exergy efficiencies of 64.0 % and 62.46 %, respectively. The calculated levelized cost of hydrogen (LCOH) was 5.84 $/kg H<sub>2</sub>, with a payback period of 6.9 years, indicating long-term economic viability. This research also introduced novel electrode configurations and fluid variations, optimizing system efficiency under an average solar irradiance of 600 W/m2. This study supports the technical and economic feasibility of solar-driven hydrogen production in the Afyon region by assessing energy, exergy, and techno-economic parameters. It underscores its potential to reduce energy costs and contribute to Turkey’s energy security. The study highlights limitations, including the challenges of scaling up and solar irradiance variability, and suggests avenues for future research to optimize further and expand this technology.</div></div>","PeriodicalId":325,"journal":{"name":"Fuel","volume":"383 ","pages":"Article 133762"},"PeriodicalIF":6.7,"publicationDate":"2024-11-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142720624","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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