Pub Date : 2024-11-12DOI: 10.1016/j.fuel.2024.133695
Lixiao Xiao , Jirui Hou , Jiaqi Sun , Yulong Yang
Microemulsions demonstrate significant potential for enhancing oil recovery (EOR) owing to their remarkable abilities to reduce interfacial tension, alter wettability, and facilitate solubilization. However, the challenge remains in preparing dilutable single-phase microemulsions with large single-phase regions and tiny droplets. In this study, we developed an EOR-oriented single-phase microemulsion formulated using mixed nonionic-cationic surfactants. The system incorporated a biodegradable double-chain monosaccharide quaternary ammonium surfactant alongside a polyoxyethylene ether surfactant. D-limonene functioned as the oil phase, while propylene glycol butyl ether served as the co-surfactant. Transition regions and microstructures were revealed through conductivity tests and microscopic electron microscopy. Furthermore, the mechanisms of microstructure transition under various phase behaviors were explored by simulating the synergistic effects and interfacial distributions of mixed surfactants through molecular dynamics simulation.
{"title":"Phase behavior of EOR-Oriented dilutable Single-Phase microemulsions","authors":"Lixiao Xiao , Jirui Hou , Jiaqi Sun , Yulong Yang","doi":"10.1016/j.fuel.2024.133695","DOIUrl":"10.1016/j.fuel.2024.133695","url":null,"abstract":"<div><div>Microemulsions demonstrate significant potential for enhancing oil recovery (EOR) owing to their remarkable abilities to reduce interfacial tension, alter wettability, and facilitate solubilization. However, the challenge remains in preparing dilutable single-phase microemulsions with large single-phase regions and tiny droplets. In this study, we developed an EOR-oriented single-phase microemulsion formulated using mixed nonionic-cationic surfactants. The system incorporated a biodegradable double-chain monosaccharide quaternary ammonium surfactant alongside a polyoxyethylene ether surfactant. <em>D</em>-limonene functioned as the oil phase, while propylene glycol butyl ether served as the co-surfactant. Transition regions and microstructures were revealed through conductivity tests and microscopic electron microscopy. Furthermore, the mechanisms of microstructure transition under various phase behaviors were explored by simulating the synergistic effects and interfacial distributions of mixed surfactants through molecular dynamics simulation.</div></div>","PeriodicalId":325,"journal":{"name":"Fuel","volume":"381 ","pages":"Article 133695"},"PeriodicalIF":6.7,"publicationDate":"2024-11-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142651436","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 efficient strategy for enhancing the H2O/SO2 resistance is to maximize the exposure of catalytic sites that are less susceptible to sulfite/sulfate species, competitive adsorption and sulfation. Herein, the porous Fe2O3-WO3-Al2O3 (3D-FeWAl) catalysts with 3D spherical chrysanthemum-like shape structure were prepared by a double template method to reveal the structure-composition-H2O/SO2 resistance relationship of 3D-FeWAl materials for the NH3-SCR reaction with H2O + SO2. The water and sulfur resistance mechanism for NH3-SCR reaction over the 3D spherical daisy-like porous 3D-FeWAl catalyst was revealed. Results demonstrated that the 3D-FeWAl15 catalysts exhibited the excellent SCR activity and SO2/H2O-tolerant, achieving above 90 % NO conversion at 250–450 °C. Al2O3 was introduced to increase medium and strong acidic sites, providing more oxygen vacancies and Fe3+-Ov-W5+ interfacial sites. Importantly, the unique spherical chrysanthemum-like shape structure, which greatly maximized the exposure of catalytic sites, facilitated mass transfer reaction sites of reactants, and enhanced sufficiently dispersed active components, protecting the active molecules from sulfation. Besides, the rich 3D hierarchical porous system effectively promotes NH4HSO4 decomposition and weak SO2 adsorption. The formation of an abundant hydroxyl (–OH) group from the water molecules (H2O) at highly exposed catalytic sites results in the creation of a greater number of acidic sites for ammonia (NH3) adsorption, thus maintaining the high-efficiency NH3-SCR reaction. This study provides insight into the rational design of high-efficiency catalysts with good H2O/SO2 resistance.
{"title":"Excellent SO2- and H2O-tolerant via maximizing catalytic sites over three-dimensional spherical daisy-like porous Fe2O3-WO3-Al2O3 catalysts for NH3-SCR at wide temperature","authors":"Shizeng Yang, Lingkui Zhao, Haicui Zhang, Yukun Liao, Yan Huang, Junfeng Zhang","doi":"10.1016/j.fuel.2024.133634","DOIUrl":"10.1016/j.fuel.2024.133634","url":null,"abstract":"<div><div>The efficient strategy for enhancing the H<sub>2</sub>O/SO<sub>2</sub> resistance is to maximize the exposure of catalytic sites that are less susceptible to sulfite/sulfate species, competitive adsorption and sulfation. Herein, the porous Fe<sub>2</sub>O<sub>3</sub>-WO<sub>3</sub>-Al<sub>2</sub>O<sub>3</sub> (3D-FeWAl) catalysts with 3D spherical chrysanthemum-like shape structure were prepared by a double template method to reveal the structure-composition-H<sub>2</sub>O/SO<sub>2</sub> resistance relationship of 3D-FeWAl materials for the NH<sub>3</sub>-SCR reaction with H<sub>2</sub>O + SO<sub>2</sub>. The water and sulfur resistance mechanism for NH<sub>3</sub>-SCR reaction over the 3D spherical daisy-like porous 3D-FeWAl catalyst was revealed. Results demonstrated that the 3D-FeWAl<sub>15</sub> catalysts exhibited the excellent SCR activity and SO<sub>2</sub>/H<sub>2</sub>O-tolerant, achieving above 90 % NO conversion at 250–450 °C. Al<sub>2</sub>O<sub>3</sub> was introduced to increase medium and strong acidic sites, providing more oxygen vacancies and Fe<sup>3+</sup>-O<sub>v</sub>-W<sup>5+</sup> interfacial sites. Importantly, the unique spherical chrysanthemum-like shape structure, which greatly maximized the exposure of catalytic sites, facilitated mass transfer reaction sites of reactants, and enhanced sufficiently dispersed active components, protecting the active molecules from sulfation. Besides, the rich 3D hierarchical porous system effectively promotes NH<sub>4</sub>HSO<sub>4</sub> decomposition and weak SO<sub>2</sub> adsorption. The formation of an abundant hydroxyl (–OH) group from the water molecules (H<sub>2</sub>O) at highly exposed catalytic sites results in the creation of a greater number of acidic sites for ammonia (NH<sub>3</sub>) adsorption, thus maintaining the high-efficiency NH<sub>3</sub>-SCR reaction. This study provides insight into the rational design of high-efficiency catalysts with good H<sub>2</sub>O/SO<sub>2</sub> resistance.</div></div>","PeriodicalId":325,"journal":{"name":"Fuel","volume":"381 ","pages":"Article 133634"},"PeriodicalIF":6.7,"publicationDate":"2024-11-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142651529","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 : 2024-11-12DOI: 10.1016/j.fuel.2024.133658
Arif Savaş , Samet Uslu , Ramazan Şener
As the availability of diesel fuel, derived from finite fossil resources, depletes and its combustion releases harmful emissions, the search for alternative fuels becomes increasingly critical. One of the most influential alternative fuels is biodiesel. In this study, the biodiesel was produced from jojoba, a second-generation plant that humans do not consume as food. Then, MgCO3 nanoparticles were added to this biodiesel, and the performance and emission experiments were carried out in a single-cylinder diesel engine. The engine was tested at six different loads (0.5, 1, 1.5, 2, 2.5, and 3 kW) and with the addition of nanoparticles (50, 100 and 150 ppm). Finally, the experimental data were optimized using Response Surface Methodology (RSM). Engine loads and fuel compositions were determined as input parameters. Carbon dioxide (CO2), nitrogen oxides (NOx), hydrocarbons (HC), carbon monoxide (CO), brake thermal efficiency (BTE), and brake specific fuel consumption (BSFC) were determined as output parameters. RSM optimization seeks to find the optimal operating point that minimizes emissions and BSFC while maximizing BTE. In the RSM results, the R2 value was calculated as a minimum of 95.95 % and a maximum of 99.42 %. The error rate in all parameters increased below 10 %. The highest error was in the HC value, which was 7.25 %. As a result of the optimization, the optimum value was reached under 74.20 ppm and 1.4 kW load. In these values, BTE, BSFC, NOx, CO2, HC, and CO values were calculated as 23.67 %, 376.27 g/kWh, 393.83 ppm, 4.28 %, 7.63 ppm, and 0.038 %, respectively.
{"title":"Optimization of performance and emission characteristics of a diesel engine fueled with MgCO3 nanoparticle doped second generation biodiesel from jojoba by using response surface methodology (RSM)","authors":"Arif Savaş , Samet Uslu , Ramazan Şener","doi":"10.1016/j.fuel.2024.133658","DOIUrl":"10.1016/j.fuel.2024.133658","url":null,"abstract":"<div><div>As the availability of diesel fuel, derived from finite fossil resources, depletes and its combustion releases harmful emissions, the search for alternative fuels becomes increasingly critical. One of the most influential alternative fuels is biodiesel. In this study, the biodiesel was produced from jojoba, a second-generation plant that humans do not consume as food. Then, MgCO<sub>3</sub> nanoparticles were added to this biodiesel, and the performance and emission experiments were carried out in a single-cylinder diesel engine. The engine was tested at six different loads (0.5, 1, 1.5, 2, 2.5, and 3 kW) and with the addition of nanoparticles (50, 100 and 150 ppm). Finally, the experimental data were optimized using Response Surface Methodology (RSM). Engine loads and fuel compositions were determined as input parameters. Carbon dioxide (CO<sub>2</sub>), nitrogen oxides (NO<sub>x</sub>), hydrocarbons (HC), carbon monoxide (CO), brake thermal efficiency (BTE), and brake specific fuel consumption (BSFC) were determined as output parameters. RSM optimization seeks to find the optimal operating point that minimizes emissions and BSFC while maximizing BTE. In the RSM results, the R<sup>2</sup> value was calculated as a minimum of 95.95 % and a maximum of 99.42 %. The error rate in all parameters increased below 10 %. The highest error was in the HC value, which was 7.25 %. As a result of the optimization, the optimum value was reached under 74.20 ppm and 1.4 kW load. In these values, BTE, BSFC, NO<sub>x</sub>, CO<sub>2</sub>, HC, and CO values were calculated as 23.67 %, 376.27 g/kWh, 393.83 ppm, 4.28 %, 7.63 ppm, and 0.038 %, respectively.</div></div>","PeriodicalId":325,"journal":{"name":"Fuel","volume":"381 ","pages":"Article 133658"},"PeriodicalIF":6.7,"publicationDate":"2024-11-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142651531","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 : 2024-11-12DOI: 10.1016/j.fuel.2024.133696
Wenbo Dong , Minjun Ma , Qi Zhao , Shuwei Chen , Yingxiong Wang , Yan Qiao
The composition of hydrocarbon fuels, particularly C8 alkane isomers, has a profound impact on their combustion characteristics. Even with same carbon number, the varying degrees of branching can significantly influence these properties. Thus, qualitative and quantitative analyses of C8 fuel components is essential. However, due to highly their structural similarities and analogous physicochemical properties, analyzing these components by chromatographic methods is often a tedious and challenge task. Here, we introduce novel NMR methods utilizing TSE-PSYCHE and CSSF TOCSY NMR technology to qualitatively and quantitatively analyze a mixture of all 16 isomers of octane. These methods have successfully achieved virtual separation of 14 components, a significant feat considering the potential for overlap in conventional 1H NMR analysis. Moreover, employing 2,2,4-trimethylpentane as a typical compound, the application of the quantitative analysis method was illustrated. By determining the LOD at 0.6 mM and the LOQ at 1.2 mM for this C8 compound, the sensitivity and applicability of the approach were demonstrated. The accuracy was confirmed with biases ranging from 1.5 % to 7 %, and the precision was evidenced by a relative standard deviation (RSD) of 4.1 %. These measurements underscore the method’s reliability and precision in quantifying components within complex hydrocarbon mixtures.
{"title":"Distinguishing C8 alkane isomers: Application of TSE-PSYCHE and CSSF TOCSY NMR techniques","authors":"Wenbo Dong , Minjun Ma , Qi Zhao , Shuwei Chen , Yingxiong Wang , Yan Qiao","doi":"10.1016/j.fuel.2024.133696","DOIUrl":"10.1016/j.fuel.2024.133696","url":null,"abstract":"<div><div>The composition of hydrocarbon fuels, particularly C8 alkane isomers, has a profound impact on their combustion characteristics. Even with same carbon number, the varying degrees of branching can significantly influence these properties. Thus, qualitative and quantitative analyses of C8 fuel components is essential. However, due to highly their structural similarities and analogous physicochemical properties, analyzing these components by chromatographic methods is often a tedious and challenge task. Here, we introduce novel NMR methods utilizing TSE-PSYCHE and CSSF TOCSY NMR technology to qualitatively and quantitatively analyze a mixture of all 16 isomers of octane. These methods have successfully achieved virtual separation of 14 components, a significant feat considering the potential for overlap in conventional <sup>1</sup>H NMR analysis. Moreover, employing 2,2,4-trimethylpentane as a typical compound, the application of the quantitative analysis method was illustrated. By determining the LOD at 0.6 mM and the LOQ at 1.2 mM for this C8 compound, the sensitivity and applicability of the approach were demonstrated. The accuracy was confirmed with biases ranging from 1.5 % to 7 %, and the precision was evidenced by a relative standard deviation (RSD) of 4.1 %. These measurements underscore the method’s reliability and precision in quantifying components within complex hydrocarbon mixtures.</div></div>","PeriodicalId":325,"journal":{"name":"Fuel","volume":"381 ","pages":"Article 133696"},"PeriodicalIF":6.7,"publicationDate":"2024-11-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142651532","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 : 2024-11-11DOI: 10.1016/j.fuel.2024.133664
Rui Yang , Tianran Ma , Yulong Kang , Hongzhou Du , Shuli Xie , Depeng Ma
Gas-water relative permeability in inorganic shale plays a crucial role in fluid transfer efficiency, therefore it is of paramount importance for modelling shale gas recovery. This study introduces a novel theoretical model to determine gas–water relative permeability in inorganic shale under various water saturations. For the first time, this model integrates the water occurrence state in inorganic shale with the fractal characteristics of pore structures. In particular, three distinct states of water occurrence in inorganic shale pores and two corresponding critical pore sizes are defined in the model based on nuclear magnetic resonance (NMR) testing. The validity and accuracy of the new model have been corroborated by multiple sets of experimental data for shale and other porous rocks. Additionally, the model discussion focus on the water occurrence state in inorganic shale is conducted, and the following results are innovatively obtained: (1) Ignoring pores with only irreducible water results in a 6–26 % overestimation of gas relative permeability (GRP) and approximately 4 % overestimation of water relative permeability (WRP). (2) Omitting pores with both irreducible and movable water leads to a 2–13 % overestimation of GRP and a 1.1 to 21 times overestimation of WRP at various water saturations. (3) Disregarding pores with only movable water causes an approximately 23 % underestimation of GRP and a 13–100 % underestimation of WRP at different water saturations. Furthermore, based on the proposed model, the impact of fractal dimension of pore size distribution, fractal dimension of pore tortuosity, irreducible water saturation, and critical pore sizes are also comprehensively analyzed.
{"title":"A fractal model for gas-water relative permeability in inorganic shale considering water occurrence state","authors":"Rui Yang , Tianran Ma , Yulong Kang , Hongzhou Du , Shuli Xie , Depeng Ma","doi":"10.1016/j.fuel.2024.133664","DOIUrl":"10.1016/j.fuel.2024.133664","url":null,"abstract":"<div><div>Gas-water relative permeability in inorganic shale plays a crucial role in fluid transfer efficiency, therefore it is of paramount importance for modelling shale gas recovery. This study introduces a novel theoretical model to determine gas–water relative permeability in inorganic shale under various water saturations. For the first time, this model integrates the water occurrence state in inorganic shale with the fractal characteristics of pore structures. In particular, three distinct states of water occurrence in inorganic shale pores and two corresponding critical pore sizes are defined in the model based on nuclear magnetic resonance (NMR) testing. The validity and accuracy of the new model have been corroborated by multiple sets of experimental data for shale and other porous rocks. Additionally, the model discussion focus on the water occurrence state in inorganic shale is conducted, and the following results are innovatively obtained: (1) Ignoring pores with only irreducible water results in a 6–26 % overestimation of gas relative permeability (GRP) and approximately 4 % overestimation of water relative permeability (WRP). (2) Omitting pores with both irreducible and movable water leads to a 2–13 % overestimation of GRP and a 1.1 to 21 times overestimation of WRP at various water saturations. (3) Disregarding pores with only movable water causes an approximately 23 % underestimation of GRP and a 13–100 % underestimation of WRP at different water saturations. Furthermore, based on the proposed model, the impact of fractal dimension of pore size distribution, fractal dimension of pore tortuosity, irreducible water saturation, and critical pore sizes are also comprehensively analyzed.</div></div>","PeriodicalId":325,"journal":{"name":"Fuel","volume":"381 ","pages":"Article 133664"},"PeriodicalIF":6.7,"publicationDate":"2024-11-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142651528","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 : 2024-11-11DOI: 10.1016/j.fuel.2024.133611
Inès Belhaj , Inès Abdelkader , Hela Jlassi , Lobna Jlaiel , Hafedh Belghith , Ali Gargouri , Hélène Launay , Goetz Parsiegla , Frédéric Carrière
Galactolipids constituting the chloroplast membranes in photosynthetic organisms represent the main reservoir of fatty acids on earth. This abundant resource is, however, completely untapped. Galactolipids are not accessible by simple physical means as vegetable triacylglycerols since they are dispersed in plant biomass. Here, we establish that Talaromyces thermophilus lipase (TTL), with a high galactolipase activity, has the capacity to hydrolyze and fully convert the natural galactolipids of dried Ficus nitida leaves as a non-oilseed green feedstock to produce fatty acids (FA) and fatty methyl esters (FAME), respectively. Its high galactolipase activity was further explored by performing in-situ transesterification reaction on the whole green biomass. Thus, a successful system for one-pot procedure was developed. Optimized methanolysis conditions were obtained with a lipid/methanol molar ratio of 1/6, chloroform as a co-solvent, a temperature of 37 °C and 660 U of free TTL for 750 mg of dried F. nitida leaves pretreated with glycosyl hydrolases. After 12 h of reaction, 121 ± 8.2 mg of biodiesel was obtained, of which 66 % was composed of FAME(s) and 33 % was composed of alkanes (C16-C24). 80 ± 1.14 mg of FAME(s) were converted from galactolipid FA within leaves with a recovery yield of 89 %. The methanolic extract of F. nitida leaves was evaluated as an antioxidant source and could help prevent the oxidation process of the polyunsaturated FAME(s) produced. Lastly, recovering and/or converting galactolipid FA in green biomass shows promise as a way of producing molecules with a potential to co-refine in existing petroleum refineries and to avoid competing interests with vegetable oils.
{"title":"Sustainable biodiesel production from Ficus nitida leaves through the in-situ bioconversion of membrane galactolipids by Talaromyces thermophilus galactolipase","authors":"Inès Belhaj , Inès Abdelkader , Hela Jlassi , Lobna Jlaiel , Hafedh Belghith , Ali Gargouri , Hélène Launay , Goetz Parsiegla , Frédéric Carrière","doi":"10.1016/j.fuel.2024.133611","DOIUrl":"10.1016/j.fuel.2024.133611","url":null,"abstract":"<div><div>Galactolipids constituting the chloroplast membranes in photosynthetic organisms represent the main reservoir of fatty acids on earth. This abundant resource is, however, completely untapped. Galactolipids are not accessible by simple physical means as vegetable triacylglycerols since they are dispersed in plant biomass. Here, we establish that <em>Talaromyces thermophilus</em> lipase (TTL), with a high galactolipase activity, has the capacity to hydrolyze and fully convert the natural galactolipids of dried <em>Ficus nitida</em> leaves as a non-oilseed green feedstock to produce fatty acids (FA) and fatty methyl esters (FAME), respectively. Its high galactolipase activity was further explored by performing <em>in-situ</em> transesterification reaction on the whole green biomass. Thus, a successful system for one-pot procedure was developed. Optimized methanolysis conditions were obtained with a lipid/methanol molar ratio of 1/6, chloroform as a co-solvent, a temperature of 37 °C and 660 U of free TTL for 750 mg of dried <em>F. nitida</em> leaves pretreated with glycosyl hydrolases. After 12 h of reaction, 121 ± 8.2 mg of biodiesel was obtained, of which 66 % was composed of FAME(s) and 33 % was composed of alkanes (C16-C24). 80 ± 1.14 mg of FAME(s) were converted from galactolipid FA within leaves with a recovery yield of 89 %. The methanolic extract of <em>F. nitida</em> leaves was evaluated as an antioxidant source and could help prevent the oxidation process of the polyunsaturated FAME(s) produced. Lastly, recovering and/or converting galactolipid FA in green biomass shows promise as a way of producing molecules with a potential to co-refine in existing petroleum refineries and to avoid competing interests with vegetable oils.</div></div>","PeriodicalId":325,"journal":{"name":"Fuel","volume":"381 ","pages":"Article 133611"},"PeriodicalIF":6.7,"publicationDate":"2024-11-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142651883","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 : 2024-11-11DOI: 10.1016/j.fuel.2024.133636
Dening Wei , Shiyuan He , Chunxiang Chen , Hongjian Ling , Shuai Zhou , Song Qiu
The weight loss characteristics, production distribution, and quality of bio-oil could be improved through catalytic co-pyrolysis of rice straw (RS) and Chlorella vulgaris (CV) under modified catalysts. Therefore, modified catalysts Cu/AC (activated carbon) and Cu/HZSM-5 were proposed. In this study, the effects of Cu/AC and Cu/HZSM-5 as modified catalysts on the microwave catalytic co-pyrolysis (CV:RS = 7:3) at different Cu loadings (1 wt%, 4 wt%, 7 wt%) and additive amounts (5 %, 10 %, 20 %, 30 %) were investigated. The results revealed that Cu/AC and Cu/HZSM-5 positively influenced bio-oil production and selectivity of hydrocarbons, but also prolonged the reaction time. At 10 % addition, 1 wt% Cu/AC exhibited the highest average weight loss rate (Ra) and the highest production of bio-oil (31.13 %). For Cu/HZSM-5, the highest production of bio-oil (28.37 %) was obtained with 7 wt% Cu/HZSM-5. Remarkably, the hydrocarbon content (57.22 %) in the bio-oil obtained from 4 wt% Cu/HZSM-5 was the highest among all groups.
{"title":"Microwave catalytic co-pyrolysis of Chlorella vulgaris and rice straw over Cu/X (X = activated carbon, HZSM-5): Characteristics and bio-oil analysis","authors":"Dening Wei , Shiyuan He , Chunxiang Chen , Hongjian Ling , Shuai Zhou , Song Qiu","doi":"10.1016/j.fuel.2024.133636","DOIUrl":"10.1016/j.fuel.2024.133636","url":null,"abstract":"<div><div>The weight loss characteristics, production distribution, and quality of bio-oil could be improved through catalytic co-pyrolysis of rice straw (<em>RS</em>) and <em>Chlorella vulgaris</em> (<em>CV</em>) under modified catalysts. Therefore, modified catalysts Cu/AC (activated carbon) and Cu/HZSM-5 were proposed. In this study, the effects of Cu/AC and Cu/HZSM-5 as modified catalysts on the microwave catalytic co-pyrolysis (<em>CV</em>:<em>RS</em> = 7:3) at different Cu loadings (1 wt%, 4 wt%, 7 wt%) and additive amounts (5 %, 10 %, 20 %, 30 %) were investigated. The results revealed that Cu/AC and Cu/HZSM-5 positively influenced bio-oil production and selectivity of hydrocarbons, but also prolonged the reaction time. At 10 % addition, 1 wt% Cu/AC exhibited the highest average weight loss rate (<em>R</em><sub>a</sub>) and the highest production of bio-oil (31.13 %). For Cu/HZSM-5, the highest production of bio-oil (28.37 %) was obtained with 7 wt% Cu/HZSM-5. Remarkably, the hydrocarbon content (57.22 %) in the bio-oil obtained from 4 wt% Cu/HZSM-5 was the highest among all groups.</div></div>","PeriodicalId":325,"journal":{"name":"Fuel","volume":"381 ","pages":"Article 133636"},"PeriodicalIF":6.7,"publicationDate":"2024-11-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142651444","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 : 2024-11-11DOI: 10.1016/j.fuel.2024.133621
Yinzhuo Jia, Ke Deng, Zhe Zhang, Qi Wang, Hui Fan
Nanofibrous and particulate Fe-based solid oxide fuel cells cathode materials of La0.35Pr0.15Sr0.5Fe0.8Ti0.2O3-δ (LPSFT) are prepared by electrostatic spinning method and citrate–nitrate combustion method to investigate the effect of different morphologies on electrochemical properties. SEM images reveal that LPSFT nanofibers exhibit a three-dimensional network structure, which enhances the transport of oxygen ions and electrons during the oxygen reduction reaction and improves the porosity and specific surface area of the cathode material, resulting in higher electrochemical performance than that of particulate LPSFT. At 800 °C, the polarization impedance (Rp) of the nanofibrous and particulate LPSFT cathodes are 0.17 Ω cm2 and 0.33 Ω cm2, respectively. The cell with nanofibrous LPSFT as the cathode has a peak power density (PPD) of 0.99 W cm−2 at 800 °C when fueled by 3 % H2O humidified hydrogen, which is almost twice that of the particulate LPSFT as the cell cathode (PPD of 0.50 W cm−2). It suggests that electrostatic spinning is an effective technique for improving the electrochemical properties of cathode materials.
采用静电纺丝法和柠檬酸盐-硝酸盐燃烧法制备了La0.35Pr0.15Sr0.5Fe0.8Ti0.2O3-δ（LPSFT）纳米纤维状和颗粒状铁基固体氧化物燃料电池阴极材料，研究了不同形貌对电化学性能的影响。扫描电镜图像显示，LPSFT 纳米纤维呈现三维网络结构，在氧还原反应中增强了氧离子和电子的传输，提高了阴极材料的孔隙率和比表面积，使其电化学性能高于颗粒状 LPSFT。在 800 °C 时，纳米纤维状和颗粒状 LPSFT 阴极的极化阻抗（Rp）分别为 0.17 Ω cm2 和 0.33 Ω cm2。以纳米纤维状 LPSFT 作为阴极的电池在 800 °C 下以 3% H2O 加湿氢气为燃料时的峰值功率密度（PPD）为 0.99 W cm-2，几乎是以颗粒状 LPSFT 作为电池阴极的电池峰值功率密度（PPD 为 0.50 W cm-2）的两倍。这表明静电纺丝是改善阴极材料电化学性能的有效技术。
{"title":"Nanofibrous perovskite La0.35Pr0.15Sr0.5Fe0.8Ti0.2O3-δ as cathode for solid oxide fuel cells","authors":"Yinzhuo Jia, Ke Deng, Zhe Zhang, Qi Wang, Hui Fan","doi":"10.1016/j.fuel.2024.133621","DOIUrl":"10.1016/j.fuel.2024.133621","url":null,"abstract":"<div><div>Nanofibrous and particulate Fe-based solid oxide fuel cells cathode materials of La<sub>0.35</sub>Pr<sub>0.15</sub>Sr<sub>0.5</sub>Fe<sub>0.8</sub>Ti<sub>0.2</sub>O<sub>3</sub><sub>-δ</sub> (LPSFT) are prepared by electrostatic spinning method and citrate–nitrate combustion method to investigate the effect of different morphologies on electrochemical properties. SEM images reveal that LPSFT nanofibers exhibit a three-dimensional network structure, which enhances the transport of oxygen ions and electrons during the oxygen reduction reaction and improves the porosity and specific surface area of the cathode material, resulting in higher electrochemical performance than that of particulate LPSFT. At 800 °C, the polarization impedance (R<sub>p</sub>) of the nanofibrous and particulate LPSFT cathodes are 0.17 Ω cm<sup>2</sup> and 0.33 Ω cm<sup>2</sup>, respectively. The cell with nanofibrous LPSFT as the cathode has a peak power density (PPD) of 0.99 W cm<sup>−2</sup> at 800 °C when fueled by 3 % H<sub>2</sub>O humidified hydrogen, which is almost twice that of the particulate LPSFT as the cell cathode (PPD of 0.50 W cm<sup>−2</sup>). It suggests that electrostatic spinning is an effective technique for improving the electrochemical properties of cathode materials.</div></div>","PeriodicalId":325,"journal":{"name":"Fuel","volume":"381 ","pages":"Article 133621"},"PeriodicalIF":6.7,"publicationDate":"2024-11-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142651592","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 : 2024-11-11DOI: 10.1016/j.fuel.2024.133593
Yangshuo Liu , Keke Huang , Yao Meng , Chubo Wang , Liang Qiao , Wei Cai , Yaotian Yan , Xiaohang Zheng
Searching for highly efficient electrocatalysts for the hydrogen evolution reaction (HER) is principal to the development electrolytic water production industry. Experimental screening of highly active electrocatalysts is time-consuming and complicated. In this work, an Artificial Neural Network model is proposed to accelerate the screening for Ag(M) catalysts (M = Al, Si, Ti, V, Cr, Mn, Fe, Co, Ni, Cu, Zn, Ga, Ge, Mo, Ru, Rh, Pd, In, Sn, Sb, W, Re, Os, Ir, Pt, Au and Hg), which is used to predict the Gibbs free energy of hydrogen. The Ag(Ni) catalyst is identified as a potential electrocatalyst with the nearly ideal (ΔGH), which affords the relatively low overpotentials of 159 mV for HER at 10 mA cm−2. According to the prediction of our ANN model, we synthesized Ag(Mn), Ag(Co), and Ag(Cu) catalysts. The Ag(Ni) catalyst exhibits the best HER activity, which is 120 mV smaller than Ag(Mn), Ag(Co), and Ag(Cu) catalysts. The incorporation of Ni effectively optimizes the electronic environment of the materials, which drives the upshift of d-band center and drastically reduces the Gibbs free energy of hydrogen (ΔGH). Our method is significantly more efficient, running 1184 times faster than the traditional DFT method. Our work paves an efficient way to design and develop potential HER catalysts.
寻找氢进化反应（HER）的高效电催化剂是发展电解水生产工业的关键。高活性电催化剂的实验筛选既耗时又复杂。本研究提出了一个人工神经网络模型来加速筛选 Ag(M) 催化剂（M = Al、Si、Ti、V、Cr、Mn、Fe、Co、Ni、Cu、Zn、Ga、Ge、Mo、Ru、Rh、Pd、In、Sn、Sb、W、Re、Os、Ir、Pt、Au 和 Hg），并利用该模型预测氢气的吉布斯自由能。Ag(Ni)催化剂被认为是一种潜在的电催化剂，具有近乎理想的（ΔGH），在 10 mA cm-2 的条件下，它能为 HER 提供相对较低的过电位（159 mV）。根据 ANN 模型的预测，我们合成了 Ag（Mn）、Ag（Co）和 Ag（Cu）催化剂。其中，Ag(Ni) 催化剂的 HER 活性最好，比 Ag(Mn)、Ag(Co) 和 Ag(Cu) 催化剂低 120 mV。镍的加入有效优化了材料的电子环境，推动了 d 波段中心的上移，并大幅降低了氢的吉布斯自由能（ΔGH）。我们的方法效率明显更高，比传统的 DFT 方法快 1184 倍。我们的工作为设计和开发潜在的 HER 催化剂铺平了一条有效的道路。
{"title":"Machine learning-assisted the Ag/Ni(OH)2 heterostructure design for boosting electrocatalytic hydrogen evolution through charge redistribution","authors":"Yangshuo Liu , Keke Huang , Yao Meng , Chubo Wang , Liang Qiao , Wei Cai , Yaotian Yan , Xiaohang Zheng","doi":"10.1016/j.fuel.2024.133593","DOIUrl":"10.1016/j.fuel.2024.133593","url":null,"abstract":"<div><div>Searching for highly efficient electrocatalysts for the hydrogen evolution reaction (HER) is principal to the development electrolytic water production industry. Experimental screening of highly active electrocatalysts is time-consuming and complicated. In this work, an Artificial Neural Network model is proposed to accelerate the screening for Ag(M) catalysts (M = Al, Si, Ti, V, Cr, Mn, Fe, Co, Ni, Cu, Zn, Ga, Ge, Mo, Ru, Rh, Pd, In, Sn, Sb, W, Re, Os, Ir, Pt, Au and Hg), which is used to predict the Gibbs free energy of hydrogen. The Ag(Ni) catalyst is identified as a potential electrocatalyst with the nearly ideal (ΔG<sub>H</sub>), which affords the relatively low overpotentials of 159 mV for HER at 10 mA cm<sup>−2</sup>. According to the prediction of our ANN model, we synthesized Ag(Mn), Ag(Co), and Ag(Cu) catalysts. The Ag(Ni) catalyst exhibits the best HER activity, which is 120 mV smaller than Ag(Mn), Ag(Co), and Ag(Cu) catalysts. The incorporation of Ni effectively optimizes the electronic environment of the materials, which drives the upshift of d-band center and drastically reduces the Gibbs free energy of hydrogen (ΔG<sub>H</sub>). Our method is significantly more efficient, running 1184 times faster than the traditional DFT method. Our work paves an efficient way to design and develop potential HER catalysts.</div></div>","PeriodicalId":325,"journal":{"name":"Fuel","volume":"381 ","pages":"Article 133593"},"PeriodicalIF":6.7,"publicationDate":"2024-11-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142651539","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 : 2024-11-11DOI: 10.1016/j.fuel.2024.133624
Mikail Yagiz , Selahattin Çelik
Direct Methanol Fuel Cell (DMFC) performance is directly related to the design of the flow fields. Because these areas provide a maximum working performance by the distribution of the reactants to the active sites, the proportional contact of the reactions on the entire surface and the efficient transport of their products. This performance can be increased by changing the type, size or layout of the channels. In this study, leaves of Mulberry (Morus), Fig (Ficus garica) and Loquat (Eriobotrya japonica) trees with 20 cm2 active area were tested as flow area for DMFC. For this study, flow field designs were fabricated using metal copper plates. Single cell structures were tested and performance results were compared. In experimental parameters, different Methanol + Water (fuel) concentrations (0.5, 1, 2, 3 and 4 Molar), different fuel temperatures (30, 40, 50, 60 and 70 °C), different air flow rates (0.5, 1, 2, 3 L min−1) and their performances at different fuel flow rates (20, 40 and 60 mL min−1) were tested and compared with the serpentine flow design. When the performance parameters were examined, the best results were obtained at 60 °C, fuel temperature, 1 Molarity, 20 mL min−1 speed fuel and 1 L min−1 air values. The pressure drop in bio-inspired flow areas was reduced and the maximum output power of the new designs was increased. The fig tree leaf provided the highest performance and increased performance by 29 % over serpentine flow.Additionally, of all the flow field designs tested, the serpentine type flow field provided the lowest performance in all tests.
直接甲醇燃料电池（DMFC）的性能与流场的设计直接相关。因为这些区域通过将反应物分配到活性位点、使反应物在整个表面上按比例接触以及有效运输反应物的产物来提供最高的工作性能。这种性能可以通过改变通道的类型、大小或布局来提高。在这项研究中，桑树（Morus）、无花果树（Ficus garica）和枇杷树（Eriobotrya japonica）的树叶（有效面积为 20 平方厘米）作为 DMFC 的流场进行了测试。在这项研究中，使用金属铜板制作了流场设计。对单电池结构进行了测试，并对性能结果进行了比较。在实验参数方面，测试了不同的甲醇+水（燃料）浓度（0.5、1、2、3 和 4 摩尔）、不同的燃料温度（30、40、50、60 和 70 °C）、不同的空气流速（0.5、1、2、3 L min-1）以及它们在不同燃料流速（20、40 和 60 mL min-1）下的性能，并与蛇形流设计进行了比较。在对性能参数进行检测时，在燃料温度为 60 °C、摩尔浓度为 1、燃料流速为 20 mL min-1 和空气流量为 1 L min-1 的条件下取得了最佳结果。生物启发流区域的压降减小了，新设计的最大输出功率提高了。此外，在所有测试的流场设计中，蛇形流场在所有测试中的性能最低。
{"title":"Experimental investigation of bio-inspired flow field designs for direct methanol fuel cell","authors":"Mikail Yagiz , Selahattin Çelik","doi":"10.1016/j.fuel.2024.133624","DOIUrl":"10.1016/j.fuel.2024.133624","url":null,"abstract":"<div><div>Direct Methanol Fuel Cell (DMFC) performance is directly related to the design of the flow fields. Because these areas provide a maximum working performance by the distribution of the reactants to the active sites, the proportional contact of the reactions on the entire surface and the efficient transport of their products. This performance can be increased by changing the type, size or layout of the channels. In this study, leaves of Mulberry (Morus), Fig (Ficus garica) and Loquat (Eriobotrya japonica) trees with 20 cm<sup>2</sup> active area were tested as flow area for DMFC. For this study, flow field designs were fabricated using metal copper plates. Single cell structures were tested and performance results were compared. In experimental parameters, different Methanol + Water (fuel) concentrations (0.5, 1, 2, 3 and 4 Molar), different fuel temperatures (30, 40, 50, 60 and 70 °C), different air flow rates (0.5, 1, 2, 3 L min<sup>−1</sup>) and their performances at different fuel flow rates (20, 40 and 60 mL min<sup>−1</sup>) were tested and compared with the serpentine flow design. When the performance parameters were examined, the best results were obtained at 60 °C, fuel temperature, 1 Molarity, 20 mL min<sup>−1</sup> speed fuel and 1 L min<sup>−1</sup> air values. The pressure drop in bio-inspired flow areas was reduced and the maximum output power of the new designs was increased. The fig tree leaf provided the highest performance and increased performance by 29 % over serpentine flow.Additionally, of all the flow field designs tested, the serpentine type flow field provided the lowest performance in all tests.</div></div>","PeriodicalId":325,"journal":{"name":"Fuel","volume":"381 ","pages":"Article 133624"},"PeriodicalIF":6.7,"publicationDate":"2024-11-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142651527","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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