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Glucose Treatment Enhances Nickel Electrode Quality in Silicon Heterojunction Cells: Experiments and Theoretical Calculations
IF 5.2 3区 工程技术
Energy & Fuels Pub Date : 2025-03-11 DOI: 10.1021/acs.energyfuels.4c0627210.1021/acs.energyfuels.4c06272
Peng Wang, Yang Li, Qi Sun* and Yinxiang Lu*, 
{"title":"Glucose Treatment Enhances Nickel Electrode Quality in Silicon Heterojunction Cells: Experiments and Theoretical Calculations","authors":"Peng Wang,&nbsp;Yang Li,&nbsp;Qi Sun* and Yinxiang Lu*,&nbsp;","doi":"10.1021/acs.energyfuels.4c0627210.1021/acs.energyfuels.4c06272","DOIUrl":"https://doi.org/10.1021/acs.energyfuels.4c06272https://doi.org/10.1021/acs.energyfuels.4c06272","url":null,"abstract":"<p >In the photovoltaic industry, silver paste screen printing is the mainstream metallization technology for crystalline silicon solar cells, but it is hindered by high production costs, particularly when preparing silicon heterojunction cells (SHJ) with low-temperature silver paste. To reduce these costs, electroless plating and electrodeposition technologies as alternatives for silver paste in metal electrode fabrication have gained significant attention. However, achieving a reliable interfacial contact between the metal grid and the transparent conductive oxide (TCO) on the SHJ surface remains a major challenge. This study researched the surface modification of the ITO substrate by introducing glucose molecules to enhance the coating quality of the nickel (Ni) seed layer. The results show that glucose treatment improves the wettability and reduces the roughness of the ITO surface, promoting uniform deposition of the Ni layer, which results in better adhesion and densification. DFT calculation of glucose molecule adsorption also shows that it primarily adsorbs on the ITO surface via its hydroxyl groups (–OH), modulating the surface properties. The modified Ni seed layer shows reduced resistivity, improved Fill Factor (FF = 52.63%), and photoelectric conversion efficiency (PCE = 12.04%), with increases of 5.63% and 0.93% (compared to the control), respectively. Although the PCE is slightly lower than commercial cells, the absence of silver significantly lowers production costs. Thus, glucose modification of the ITO surface effectively enhances electrode contact quality.</p>","PeriodicalId":35,"journal":{"name":"Energy & Fuels","volume":"39 11","pages":"5594–5603 5594–5603"},"PeriodicalIF":5.2,"publicationDate":"2025-03-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143654341","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Sodium Chloride Influence on Dissociation Behavior of CO2 Hydrate Below the Melting Point of Ice
IF 5.2 3区 工程技术
Energy & Fuels Pub Date : 2025-03-11 DOI: 10.1021/acs.energyfuels.5c0008310.1021/acs.energyfuels.5c00083
Masato Kida*,  and , Yusuke Jin, 
{"title":"Sodium Chloride Influence on Dissociation Behavior of CO2 Hydrate Below the Melting Point of Ice","authors":"Masato Kida*,&nbsp; and ,&nbsp;Yusuke Jin,&nbsp;","doi":"10.1021/acs.energyfuels.5c0008310.1021/acs.energyfuels.5c00083","DOIUrl":"https://doi.org/10.1021/acs.energyfuels.5c00083https://doi.org/10.1021/acs.energyfuels.5c00083","url":null,"abstract":"&lt;p &gt;Understanding the influence of raw water quality on the stability of the CO&lt;sub&gt;2&lt;/sub&gt; hydrate during transportation to sequestration sites is crucially important for CO&lt;sub&gt;2&lt;/sub&gt; capture and storage involving CO&lt;sub&gt;2&lt;/sub&gt; hydrate transportation. Although raw water purification is a key consideration, the effects of using low-quality waters that are readily available for industrial use remain unclear. To address this issue, this study provides knowledge for the discussion of water quality targets for raw water used to transport CO&lt;sub&gt;2&lt;/sub&gt; using the self-preservation of CO&lt;sub&gt;2&lt;/sub&gt; hydrate. This study evaluated the dissociation behavior of CO&lt;sub&gt;2&lt;/sub&gt; hydrate formed from pure water and 0.0058 and 0.59 mass % NaCl aqueous solutions to elucidate impurity effects on hydrate dissociation behavior. Hydrate dissociation was induced by depressurization and assessed at constant temperatures of 253–272 K and during temperature ramping to ascertain the upper-temperature limit of the self-preservation effect. Hydrate dissociation in the pure water system was restricted at 253–270 K but not at 271 and 272 K, indicating that self-preservation of CO&lt;sub&gt;2&lt;/sub&gt; hydrate appears at temperatures of 253–270 K. The hydrate dissociation was restricted at 253–270 K for the 0.0058 mass % aqueous solution system and at 253 K for the 0.59 mass % aqueous solution system. In these cases, at 269–270 K for the 0.0058 mass % aqueous solution and at 253 K for the 0.59 mass % aqueous solution, the restriction effect of hydrate dissociation tended to be weak: The self-preservation of the CO&lt;sub&gt;2&lt;/sub&gt; hydrate does not appear or is weakened even at temperatures where the self-preservation is fundamentally apparent. Temperature ramping measurements of the hydrate dissociation behavior elucidated that the temperature at which the self-preservation phenomenon of CO&lt;sub&gt;2&lt;/sub&gt; hydrate disappears was almost constant at approximately 271 K, irrespective of the temperature in the pure water system. At 253–267 K, the addition of NaCl lowered the temperature at which the self-preserving effect of the CO&lt;sub&gt;2&lt;/sub&gt; hydrate disappeared. Moreover, the decrease in the temperature was greater with increased NaCl concentration. In the NaCl aqueous solution system at 268–270 K, where the initial hydrate dissociation amount was much greater and the restriction effect of hydrate dissociation was weak, the temperature at which the self-preservation phenomenon of the CO&lt;sub&gt;2&lt;/sub&gt; hydrate disappears was as high as that in the pure water system. This fact suggests that the large amounts of ice around the hydrate grain shield the remaining hydrate particles from erosion by NaCl. Findings show that the CO&lt;sub&gt;2&lt;/sub&gt; hydrate dissociation is controlled by competition between the formation and growth of ice related to the self-preservation phenomenon and the inhibition of ice formation by erosion of NaCl from the surroundings. These findings suggest that, for CO&lt;sub&gt;2&lt;/sub&gt; hydrate","PeriodicalId":35,"journal":{"name":"Energy & Fuels","volume":"39 11","pages":"5511–5521 5511–5521"},"PeriodicalIF":5.2,"publicationDate":"2025-03-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143654345","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
How Green is Green Hydrogen?─A Life-Cycle and Critical Raw Material Analysis of Green Hydrogen Production via PEMW Electrolysers in India
IF 5.2 3区 工程技术
Energy & Fuels Pub Date : 2025-03-11 DOI: 10.1021/acs.energyfuels.4c0420010.1021/acs.energyfuels.4c04200
Peter Waiyaki, Ramprasad Thekkethil, Murali Ananthakumar and Satyanarayanan Seshadri*, 
{"title":"How Green is Green Hydrogen?─A Life-Cycle and Critical Raw Material Analysis of Green Hydrogen Production via PEMW Electrolysers in India","authors":"Peter Waiyaki,&nbsp;Ramprasad Thekkethil,&nbsp;Murali Ananthakumar and Satyanarayanan Seshadri*,&nbsp;","doi":"10.1021/acs.energyfuels.4c0420010.1021/acs.energyfuels.4c04200","DOIUrl":"https://doi.org/10.1021/acs.energyfuels.4c04200https://doi.org/10.1021/acs.energyfuels.4c04200","url":null,"abstract":"<p >The rapid progression of digitalization, decarbonisation, and democratisation within the energy system is accelerating the energy transition. To expedite this progress and achieve the Paris Agreement’s net-zero objectives in India, there is a requisite need to enhance existing infrastructure and expand innovative technologies, such as green hydrogen production. Green hydrogen is pivotal as an energy carrier within power-to-X processes. The safe, sustainable, and compliant production of green hydrogen necessitates the establishment of well-informed voluntary standards and regulations overseeing the production, labeling, and trade of green hydrogen and its derivatives. This study initially investigates the environmental impact implications of scaling up green hydrogen production to a megawatt-scale, employing two distinct configurations of the PEMW electrolysis system through a life cycle assessment. Given the high dependency of PEMW electrolysis systems on critical materials, such as platinum, a critical raw material analysis is performed to identify the essential raw materials that should be prioritised in India for this upscaling endeavor. The life cycle and critical raw material analysis findings reveal that the diverging configurations of the PEMW electrolysis system exhibit significantly different environmental impacts and critical raw material demands. This underscores the necessity for voluntary standards and regulations in the green hydrogen production process to facilitate the definition of green hydrogen and promote seamless cross-border trade from India to other global markets.</p>","PeriodicalId":35,"journal":{"name":"Energy & Fuels","volume":"39 11","pages":"5534–5549 5534–5549"},"PeriodicalIF":5.2,"publicationDate":"2025-03-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143654280","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Moderately Solvating Ionic Liquid Electrolytes for High-Performance Lithium Metal Batteries
IF 5.2 3区 工程技术
Energy & Fuels Pub Date : 2025-03-11 DOI: 10.1021/acs.energyfuels.5c0045010.1021/acs.energyfuels.5c00450
Wenjing Lin, Daoyuan Chen, Penghe Lin, Jidao Li, Quan Lu, Yanyan Zhang*, Wenhong Zou*, Yuxin Tang and Zhengshuai Bai*, 
{"title":"Moderately Solvating Ionic Liquid Electrolytes for High-Performance Lithium Metal Batteries","authors":"Wenjing Lin,&nbsp;Daoyuan Chen,&nbsp;Penghe Lin,&nbsp;Jidao Li,&nbsp;Quan Lu,&nbsp;Yanyan Zhang*,&nbsp;Wenhong Zou*,&nbsp;Yuxin Tang and Zhengshuai Bai*,&nbsp;","doi":"10.1021/acs.energyfuels.5c0045010.1021/acs.energyfuels.5c00450","DOIUrl":"https://doi.org/10.1021/acs.energyfuels.5c00450https://doi.org/10.1021/acs.energyfuels.5c00450","url":null,"abstract":"<p >Development of ionic liquid electrolytes (ILEs) plays a key role in achieving high safety and high energy density in lithium metal batteries. While introducing cosolvents can reduce the viscosity of ILEs and enhance Li<sup>+</sup> transport ability, the impact of the solvating ability of cosolvents on the solvation structure of ILEs remains unclear. In this work, we rationally design the solvating ILEs, with different solvation abilities of cosolvents, and reveal the correlation between solvation structure and electrochemical performance. We found that introducing cosolvents with moderate solvating ability, such as ethyl acetate (EA), into the ionic liquid electrolyte can regulate the solvation structure of ILEs, thereby optimizing Li<sup>+</sup> transport ability and enhancing the stability of the electrode/electrolyte interface. With our designed ionic liquid electrolytes (ILEs), the Li||Ni<sub>0.8</sub>Co<sub>0.1</sub>Mn<sub>0.1</sub>O<sub>2</sub> battery cell demonstrates exceptional capacity retention of 84.8% after 800 cycles at 1.0C, significantly outperforming the battery with a conventional ester electrolyte, which retains only 22.1% capacity. This study provides practical solutions and foundational guidance for the rational design of advanced ionic liquid electrolytes and the selection of cosolvents, advancing the development of high-safety and high-energy-density LMBs.</p>","PeriodicalId":35,"journal":{"name":"Energy & Fuels","volume":"39 11","pages":"5622–5632 5622–5632"},"PeriodicalIF":5.2,"publicationDate":"2025-03-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143654346","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Outlook on Synthetic Biology-Driven Hydrogen Production: Lessons from Algal Photosynthesis Applied to Cyanobacteria
IF 5.2 3区 工程技术
Energy & Fuels Pub Date : 2025-03-11 DOI: 10.1021/acs.energyfuels.4c0477210.1021/acs.energyfuels.4c04772
Alfonso Jaramillo*, Alessandro Satta, Filipe Pinto, Cecilia Faraloni, Graziella Chini Zittelli, Ana Margarita Silva Benavides, Giuseppe Torzillo, Conrad Schumann, Jorge Fernández Méndez, Gustav Berggren, Peter Lindblad, Maddalena Parente, Serena Esposito and Marcello Diano, 
{"title":"Outlook on Synthetic Biology-Driven Hydrogen Production: Lessons from Algal Photosynthesis Applied to Cyanobacteria","authors":"Alfonso Jaramillo*,&nbsp;Alessandro Satta,&nbsp;Filipe Pinto,&nbsp;Cecilia Faraloni,&nbsp;Graziella Chini Zittelli,&nbsp;Ana Margarita Silva Benavides,&nbsp;Giuseppe Torzillo,&nbsp;Conrad Schumann,&nbsp;Jorge Fernández Méndez,&nbsp;Gustav Berggren,&nbsp;Peter Lindblad,&nbsp;Maddalena Parente,&nbsp;Serena Esposito and Marcello Diano,&nbsp;","doi":"10.1021/acs.energyfuels.4c0477210.1021/acs.energyfuels.4c04772","DOIUrl":"https://doi.org/10.1021/acs.energyfuels.4c04772https://doi.org/10.1021/acs.energyfuels.4c04772","url":null,"abstract":"<p >Photobiological hydrogen production offers a sustainable route to clean energy by harnessing solar energy through photosynthetic microorganisms. The pioneering sulfur-deprivation technique developed by Melis and colleagues in the green alga <i>Chlamydomonas reinhardtii</i> successfully enabled sustained hydrogen production by downregulating photosystem II (PSII) activity to reduce oxygen evolution, creating anaerobic conditions necessary for hydrogenase activity. Inspired by this approach, we present the project of the European consortium PhotoSynH2, which builds on these biological insights and employs synthetic biology to replicate and enhance this strategy in cyanobacteria, specifically, <i>Synechocystis</i> sp. PCC 6803. By genetically engineering precise downregulation of PSII, we aim to reduce oxygen evolution without the unintended effects associated with nutrient deprivation, enabling efficient hydrogen production. Additionally, re-engineering endogenous respiration to continuously replenish glycogen consumed during respiration allows matching oxygen production with consumption, maintaining anaerobic conditions conducive to hydrogen production. This review discusses how focusing on molecular-level processes and leveraging advanced genetic tools can lead to a new methodology that potentially offers improved results over traditional approaches. By redirecting electron flow and optimizing redox pathways, we seek to enhance hydrogen production efficiency in cyanobacteria. Our approach demonstrates how harnessing photosynthesis through synthetic biology can contribute to scalable and sustainable hydrogen production, addressing the growing demand for renewable energy and advancing toward a carbon-neutral future.</p>","PeriodicalId":35,"journal":{"name":"Energy & Fuels","volume":"39 11","pages":"4987–5006 4987–5006"},"PeriodicalIF":5.2,"publicationDate":"2025-03-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://pubs.acs.org/doi/epdf/10.1021/acs.energyfuels.4c04772","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143654376","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Adsorption–Desorption–Seepage Characteristics and Deformation Mechanism of Confined Coal for Flue Gas under Different Water Saturations
IF 5.2 3区 工程技术
Energy & Fuels Pub Date : 2025-03-11 DOI: 10.1021/acs.energyfuels.5c0006610.1021/acs.energyfuels.5c00066
Yang Ding*, Yuyao Zhou, Shugang Li, Haifei Lin, Bing Zhu, Yizheng Zhang, Yan Zhang and Ye Bian, 
{"title":"Adsorption–Desorption–Seepage Characteristics and Deformation Mechanism of Confined Coal for Flue Gas under Different Water Saturations","authors":"Yang Ding*,&nbsp;Yuyao Zhou,&nbsp;Shugang Li,&nbsp;Haifei Lin,&nbsp;Bing Zhu,&nbsp;Yizheng Zhang,&nbsp;Yan Zhang and Ye Bian,&nbsp;","doi":"10.1021/acs.energyfuels.5c0006610.1021/acs.energyfuels.5c00066","DOIUrl":"https://doi.org/10.1021/acs.energyfuels.5c00066https://doi.org/10.1021/acs.energyfuels.5c00066","url":null,"abstract":"<p >The excessive discharge of flue gas degrades air quality, while its injection into coal seams mitigates pollution and enables carbon dioxide storage. This study investigates the adsorption, desorption, and seepage mechanisms of flue gas in coal seams through gas–solid coupling tests under triaxial stress for coal samples with varying water saturation. The results indicate that under constant coaxial and confining pressures, the adsorption capacity, desorption capacity, and seepage rate of flue gas exhibit a significant decline with increasing water saturation. Additionally, the equilibrium times for desorption and seepage are reduced, while the equilibrium time for adsorption is extended. During the processes of adsorption, desorption, and seepage, both axial and radial strains in the coal decrease with increasing water saturation or axial/confining pressure, with the axial strain consistently lower than the radial strain. Gas component analysis reveals nitrogen (N<sub>2</sub>) dominance during initial desorption, with carbon dioxide (CO<sub>2</sub>) and methane (CH<sub>4</sub>) increasing as desorption progresses. Further analysis demonstrates a significant linear relationship between the axial and radial strains of coal and the gas seepage rate. As the effective stress or water saturation increases, both the diffusion coefficient and dimensionless permeability exhibit a declining trend under the same water saturation conditions. Under dry conditions, the effective stress sensitivity coefficient decreases with increasing effective stress. In contrast, under high water saturation conditions, the effective stress sensitivity coefficient displays a more complex pattern, becoming more pronounced as water saturation rises. These studies help to understand the influence of water saturation and stress on the behavior of flue gas in coal and provide a theoretical basis for optimizing coal bed methane extraction and carbon sequestration.</p>","PeriodicalId":35,"journal":{"name":"Energy & Fuels","volume":"39 11","pages":"5491–5510 5491–5510"},"PeriodicalIF":5.2,"publicationDate":"2025-03-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143654344","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Effects of Hydrogenated and De-Hydrogenated Organic Hydrogen Carriers on Carbonate Wettability for Hydrogen Geological Storage
IF 5.2 3区 工程技术
Energy & Fuels Pub Date : 2025-03-10 DOI: 10.1021/acs.energyfuels.4c0610910.1021/acs.energyfuels.4c06109
Muhammad Ali*, Narendra Kumar, Mutaz Alsubhi, Faisal Alissa, Abdulwahab Ghamdi and Hussein Hoteit*, 
{"title":"Effects of Hydrogenated and De-Hydrogenated Organic Hydrogen Carriers on Carbonate Wettability for Hydrogen Geological Storage","authors":"Muhammad Ali*,&nbsp;Narendra Kumar,&nbsp;Mutaz Alsubhi,&nbsp;Faisal Alissa,&nbsp;Abdulwahab Ghamdi and Hussein Hoteit*,&nbsp;","doi":"10.1021/acs.energyfuels.4c0610910.1021/acs.energyfuels.4c06109","DOIUrl":"https://doi.org/10.1021/acs.energyfuels.4c06109https://doi.org/10.1021/acs.energyfuels.4c06109","url":null,"abstract":"<p >Organic hydrogen carriers (OHCs) have emerged as a promising solution for the efficient large-scale storage and transport of hydrogen, thus helping to address the increasing demands for renewable energy and decarbonization. The ability to store hydrogen geologically is influenced by the wetting properties and interfacial forces between the OHCs and subsurface formations, with significant impacts on the residual saturation, fluid flow dynamics, injection/withdrawal rates, and containment reliability. Herein, the advancing and receding contact angles and interfacial tension (IFT) of methylcyclohexane (MCH) and toluene are measured on calcite substrates in the presence of 1 M NaCl solution under natural physio-thermal geological conditions (298–343 K, 1–20 MPa). In addition, the MHC-exposed calcite samples are characterized via atomic force microscopy, X-ray diffraction, scanning electron microscopy, energy-dispersive spectroscopy, Fourier transform infrared spectroscopy, and total organic content analysis. The results suggest that the wettability and IFT values increase with increasing pressure and decrease with increasing temperature. This is attributed to increased intermolecular interactions between the liquid molecules and solid surface, along with the reduced density and surface energy of each liquid on the positively charged rock surface. However, due to the density difference between hydrogenated and dehydrogenated forms, MCH has a higher IFT and lower wettability than toluene at a given pressure and temperature. The findings demonstrate the viability of OHC integration into carbonate reservoirs for enhanced and secure hydrogen storage capability, and underscore the importance of optimizing OHC interactions with geological substrates to improve the hydrogen storage efficiency for advanced sustainable energy solutions.</p>","PeriodicalId":35,"journal":{"name":"Energy & Fuels","volume":"39 11","pages":"5550–5561 5550–5561"},"PeriodicalIF":5.2,"publicationDate":"2025-03-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://pubs.acs.org/doi/epdf/10.1021/acs.energyfuels.4c06109","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143654420","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Three-Phase Equilibria of CO2 Hydrate from Computer Simulation in the Presence of NaCl
IF 5.2 3区 工程技术
Energy & Fuels Pub Date : 2025-03-10 DOI: 10.1021/acs.energyfuels.5c0017410.1021/acs.energyfuels.5c00174
A. Borrero, A. Díaz-Acosta, S. Blazquez, I. M. Zerón, J. Algaba, M. M. Conde* and F. J. Blas*, 
{"title":"Three-Phase Equilibria of CO2 Hydrate from Computer Simulation in the Presence of NaCl","authors":"A. Borrero,&nbsp;A. Díaz-Acosta,&nbsp;S. Blazquez,&nbsp;I. M. Zerón,&nbsp;J. Algaba,&nbsp;M. M. Conde* and F. J. Blas*,&nbsp;","doi":"10.1021/acs.energyfuels.5c0017410.1021/acs.energyfuels.5c00174","DOIUrl":"https://doi.org/10.1021/acs.energyfuels.5c00174https://doi.org/10.1021/acs.energyfuels.5c00174","url":null,"abstract":"<p >In this work, the cryoscopic decrease effect, as a function of the NaCl concentration, on the carbon dioxide (CO<sub>2</sub>) hydrate dissociation line conditions was determined through molecular dynamic simulations. In particular, we have determined the three-phase (solid hydrate–aqueous phase–liquid CO<sub>2</sub>) coexistence temperature at 100, 400, and 1000 bar at several initial NaCl concentrations in the aqueous phase, from 0.0 to 3.0 m, using the direct-coexistence technique. We used the well-known TIP4P/2005 and TraPPe force fields for water and CO<sub>2</sub> molecules, respectively. Also, the water–salt interactions were described using the Madrid-2019 force field, which has been specifically developed for various salts in combination with the TIP4P/2005 water model. According to the results obtained in this work, the dissociation temperature of the CO<sub>2</sub> hydrate decreases when the NaCl concentration in the initial aqueous phase increases. The results obtained are in excellent agreement with the experimental data reported in the literature. We have also observed how the dynamics of melting and growth of the CO<sub>2</sub> hydrate becomes slower when the NaCl concentration is increased. As a consequence, longer simulation times (on the order of dozens of microseconds) are necessary when the NaCl concentration increases. Finally, we have also analyzed finite-size effects on the three-phase coexistence temperature of these systems by performing simulations at 400 bar with two different system sizes at two different NaCl concentrations (0.0 and 3.0 m). Non-negligible deviations have been found between the results obtained from the two system sizes.</p>","PeriodicalId":35,"journal":{"name":"Energy & Fuels","volume":"39 11","pages":"5522–5533 5522–5533"},"PeriodicalIF":5.2,"publicationDate":"2025-03-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143654373","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Lithology, Reservoir Characteristics, Formation Mechanism, and Significance of Permian Shale in the Hongxing Area, Sichuan Basin, China
IF 5.2 3区 工程技术
Energy & Fuels Pub Date : 2025-03-10 DOI: 10.1021/acs.energyfuels.4c0640710.1021/acs.energyfuels.4c06407
Baizhi Li, Zaixing Jiang, Shuangfang Lu*, Nengwu Zhou*, Junjie Wang, Xinyu Jiang, Yang Liu, Wenbiao Li and Pengfei Zhang, 
{"title":"Lithology, Reservoir Characteristics, Formation Mechanism, and Significance of Permian Shale in the Hongxing Area, Sichuan Basin, China","authors":"Baizhi Li,&nbsp;Zaixing Jiang,&nbsp;Shuangfang Lu*,&nbsp;Nengwu Zhou*,&nbsp;Junjie Wang,&nbsp;Xinyu Jiang,&nbsp;Yang Liu,&nbsp;Wenbiao Li and Pengfei Zhang,&nbsp;","doi":"10.1021/acs.energyfuels.4c0640710.1021/acs.energyfuels.4c06407","DOIUrl":"https://doi.org/10.1021/acs.energyfuels.4c06407https://doi.org/10.1021/acs.energyfuels.4c06407","url":null,"abstract":"<p >Exploration of Permian shale gas in the Hongxing area has expanded the Sichuan Basin’s potential, but transitional shale reservoir research is scarce, impeding the assessment of prospective shale gas zones. Here, we employ geochemical analysis, low-temperature CO<sub>2</sub> and N<sub>2</sub> adsorption, nuclear magnetic resonance, and field emission scanning electron microscopy to characterize lithofacies in the Permian shale. We identified four shale lithologies: carbon-rich siliceous shale (RS), carbon-rich mixed shale (RM), carbon-rich calcareous shale (RC), and carbon-poor calcareous shale (LC). RS and RM display superior pore volumes (14.33 cm<sup>3</sup>/g and 16.58 cm<sup>3</sup>/g, respectively) and specific surface areas (19.21 m<sup>2</sup>/g and 16.58 m<sup>2</sup>/g), highlighting their potential as the most promising lithofacies for shale gas development. Overall, the shales in the Hongxing area show poor pore connectivity, with liquid mobility rates of 37.84%, 24.33%, 18.75%, and 29.48% for RS, RM, RC, and LC, respectively. The corresponding <i>T</i><sub>2cutoff</sub> values are 2.86, 1.74, 3.47, and 4.57 ms. Liquid mobility is primarily influenced by siliceous and calcareous minerals, while <i>T</i><sub>2cutoff</sub> is controlled by clay minerals and pyrite. Organic matter (including its type, abundance, and maturity) predominantly affects micropore development, while mesopores are mainly influenced by siliceous minerals, clay minerals, and pyrite. Macropore development is primarily controlled by calcareous minerals. Depositional environments significantly influence lithofacies development: RS and RM were formed in reducing saline to brackish conditions, while RC and LC originated in oxidizing freshwater settings. Reducing estuarine and lagoonal settings with saline to brackish conditions represent the favorable depositional facies for shale development.</p>","PeriodicalId":35,"journal":{"name":"Energy & Fuels","volume":"39 11","pages":"5364–5377 5364–5377"},"PeriodicalIF":5.2,"publicationDate":"2025-03-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143654446","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Effects of Bottom-Hole Pressure on Energy Recovery from Three-Phase Hydrate-Bearing Sediments with Underlying Free-Gas Reservoir via Depressurization
IF 5.2 3区 工程技术
Energy & Fuels Pub Date : 2025-03-10 DOI: 10.1021/acs.energyfuels.5c0021310.1021/acs.energyfuels.5c00213
Shuaijun Li, Jidong Zhang, Yang Ge, Weixin Pang, Junjie Ren, Yuhang Gu, Keguang Zhou and Zhenyuan Yin*, 
{"title":"Effects of Bottom-Hole Pressure on Energy Recovery from Three-Phase Hydrate-Bearing Sediments with Underlying Free-Gas Reservoir via Depressurization","authors":"Shuaijun Li,&nbsp;Jidong Zhang,&nbsp;Yang Ge,&nbsp;Weixin Pang,&nbsp;Junjie Ren,&nbsp;Yuhang Gu,&nbsp;Keguang Zhou and Zhenyuan Yin*,&nbsp;","doi":"10.1021/acs.energyfuels.5c0021310.1021/acs.energyfuels.5c00213","DOIUrl":"https://doi.org/10.1021/acs.energyfuels.5c00213https://doi.org/10.1021/acs.energyfuels.5c00213","url":null,"abstract":"<p >Methane hydrates are considered as the future clean energy resource. Geological exploration results indicate that the symbiosis of underlying gas is a typical characterization of natural gas hydrate (NGH) reservoirs. Co-production from NGH reservoir and underlying gas reservoir shows significant potential for future commercial production. However, the fluid production, thermal response, and sediment displacement evolution during co-production are still unclear and warrant investigation. In this study, we synthesized three-phase methane hydrate-bearing sediments with hydrate saturations of 12.0 and 26.0% at 15.0 °C and prepared the underlying gas reservoir with gas saturation of 87.7% at 17.5 °C. Fluid production and evolution of temperature and sediment displacement were examined during depressurization from the underlying gas reservoir under four bottom-hole pressures, <i>i.e.,</i> 8.0, 6.0, 4.0, and 2.0 MPa. A novel quantification method was developed for estimation of gas and water production from each reservoir. By lowering bottom-hole pressure from 8.0 to 2.0 MPa, gas recovery ratio increased by nearly 30% in both cases. Water production was significantly delayed compared with gas production and only started when water saturation of underlying gas reservoir reached above 40% in all cases. Increasing <i>S</i><sub>H</sub> from 12.0 to 26.0% result in a decrease in the minimum temperature of three-phase methane hydrate-bearing sediments from 7.5 °C to 2.5 °C. Displacement sensor monitors the downward displacement of the three-phase methane hydrate-bearing sediments during depressurization. The volume strain increases from 0.12 to 0.38% when decreasing BHP, while that for low <i>S</i><sub>H</sub> only increases 0.06%. Our findings expand the understanding of fluid production behaviour from three-phase methane hydrate-bearing sediments with underlying gas. It provides guidance in the optimization of producion strategy for future field-scale co-production tests.</p>","PeriodicalId":35,"journal":{"name":"Energy & Fuels","volume":"39 11","pages":"5391–5405 5391–5405"},"PeriodicalIF":5.2,"publicationDate":"2025-03-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143654449","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
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