Wax deposition in crude oil extraction and transportation endangers petroleum industry safety, raises operational costs, and is an urgent key challenge. Exploring collaborative wax prevention mechanisms is of great significance for innovative wax prevention technologies. In our study, molecular dynamics simulations were applied to clarify the combined effect of ethylene-vinyl acetate copolymer (EVA) and polyvinylpyrrolidone (PVP) or PVP derivatives in the process of wax crystal growth. The simulation results demonstrate that the vinyl acetate (VA) side units enhance the adsorption affinity of pyrrolidone-based polymers around the eutectic surface through polarity effects. On surfaces with low wax-EVA eutectic degrees, pyrrolidone-based polymers adsorbed around VA side chains exert a repulsive effect on solute wax molecules via their polar groups, thereby increasing the induction time of wax crystal growth. On high eutectic surfaces, pyrrolidone-based polymers adsorb onto eutectic surfaces via electrostatic interactions with adjacent VA side chains, forming steric hindrances. Here, hydrophobically modified PVP derivatives (PVP-C and PVP-A) compete for eutectic adsorption sites. This disrupts the orderly growth of wax crystals and either dissipates newly formed wax adsorption layers or prevents their formation entirely. Exploring the potential of collaborative wax prevention facilitates breakthroughs in traditional wax inhibitor performance bottlenecks and enables the development of efficient and eco-friendly composite wax inhibitor systems.
{"title":"Synergistic Inhibition of Wax Crystal Growth by Ethylene-Vinyl Acetate Copolymer and Polyvinylpyrrolidone","authors":"Limin Wang, , , Jinrong Duan, , , Zhi Li*, , , Bei Liu*, , , Linjie Ding, , and , Guangjin Chen, ","doi":"10.1021/acs.energyfuels.5c06590","DOIUrl":"https://doi.org/10.1021/acs.energyfuels.5c06590","url":null,"abstract":"<p >Wax deposition in crude oil extraction and transportation endangers petroleum industry safety, raises operational costs, and is an urgent key challenge. Exploring collaborative wax prevention mechanisms is of great significance for innovative wax prevention technologies. In our study, molecular dynamics simulations were applied to clarify the combined effect of ethylene-vinyl acetate copolymer (EVA) and polyvinylpyrrolidone (PVP) or PVP derivatives in the process of wax crystal growth. The simulation results demonstrate that the vinyl acetate (VA) side units enhance the adsorption affinity of pyrrolidone-based polymers around the eutectic surface through polarity effects. On surfaces with low wax-EVA eutectic degrees, pyrrolidone-based polymers adsorbed around VA side chains exert a repulsive effect on solute wax molecules via their polar groups, thereby increasing the induction time of wax crystal growth. On high eutectic surfaces, pyrrolidone-based polymers adsorb onto eutectic surfaces via electrostatic interactions with adjacent VA side chains, forming steric hindrances. Here, hydrophobically modified PVP derivatives (PVP-C and PVP-A) compete for eutectic adsorption sites. This disrupts the orderly growth of wax crystals and either dissipates newly formed wax adsorption layers or prevents their formation entirely. Exploring the potential of collaborative wax prevention facilitates breakthroughs in traditional wax inhibitor performance bottlenecks and enables the development of efficient and eco-friendly composite wax inhibitor systems.</p>","PeriodicalId":35,"journal":{"name":"Energy & Fuels","volume":"40 9","pages":"4502–4514"},"PeriodicalIF":5.3,"publicationDate":"2026-02-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"147384250","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}
To address the complex production characteristics of unconventional oil reservoirs, we propose TimeSenseNet, a prediction model designed to improve both the accuracy and the robustness of shale oil production forecasting. The model innovatively integrates Time2Vec time encoding, Convolutional Neural Networks (CNN), Bidirectional Long Short-Term Memory networks (BiLSTM), and a Transformer-based attention mechanism. This architecture automatically captures complex nonlinear patterns in time-series data and simplifies traditional preprocessing procedures, while explicitly incorporating physical reservoir parameters including lithology, measured depth (MD), true vertical depth (TVD), porosity, permeability, reservoir temperature, and pressure, to guide feature extraction and temporal modeling. Monthly production data from 18 wells in the Bakken Formation were used, with 80% for training and 20% for testing, and 5 wells in the Eagle Ford Formation, including both horizontal and vertical wells, were reserved for independent validation. Results on the Eagle Ford Formation validation set show that TimeSenseNet achieves an average R2 of 0.81 across all wells, with peak single-well performance reaching 0.91. It also attains the lowest average mean absolute error (MAE) (205.70), root-mean-square error (RMSE) (434.86), normalized root mean squared error (NRMSE) (0.08), and weighted absolute percentage error (WAPE) (0.21), demonstrating strong generalization to the unseen reservoirs. This study establishes a closed-loop process of data governance, model optimization, and field validation, showing that TimeSenseNet provides accurate short-term production forecasts and supports long-term rolling predictions with reduced error accumulation. The separation of static reservoir features and dynamic production data allows efficient real-time updates when new data become available. These capabilities demonstrate TimeSenseNet’s potential for data-driven decision-making and more efficient shale oil production in unconventional reservoirs.
{"title":"TimeSenseNet: A Physics-Data Fusion Model for Shale Oil Production Forecasting","authors":"Yuyan Wu, , , Rui Deng, , , Haimin Guo, , and , Liang Zhao*, ","doi":"10.1021/acs.energyfuels.5c06299","DOIUrl":"https://doi.org/10.1021/acs.energyfuels.5c06299","url":null,"abstract":"<p >To address the complex production characteristics of unconventional oil reservoirs, we propose TimeSenseNet, a prediction model designed to improve both the accuracy and the robustness of shale oil production forecasting. The model innovatively integrates Time2Vec time encoding, Convolutional Neural Networks (CNN), Bidirectional Long Short-Term Memory networks (BiLSTM), and a Transformer-based attention mechanism. This architecture automatically captures complex nonlinear patterns in time-series data and simplifies traditional preprocessing procedures, while explicitly incorporating physical reservoir parameters including lithology, measured depth (MD), true vertical depth (TVD), porosity, permeability, reservoir temperature, and pressure, to guide feature extraction and temporal modeling. Monthly production data from 18 wells in the Bakken Formation were used, with 80% for training and 20% for testing, and 5 wells in the Eagle Ford Formation, including both horizontal and vertical wells, were reserved for independent validation. Results on the Eagle Ford Formation validation set show that TimeSenseNet achieves an average <i>R</i><sup>2</sup> of 0.81 across all wells, with peak single-well performance reaching 0.91. It also attains the lowest average mean absolute error (MAE) (205.70), root-mean-square error (RMSE) (434.86), normalized root mean squared error (NRMSE) (0.08), and weighted absolute percentage error (WAPE) (0.21), demonstrating strong generalization to the unseen reservoirs. This study establishes a closed-loop process of data governance, model optimization, and field validation, showing that TimeSenseNet provides accurate short-term production forecasts and supports long-term rolling predictions with reduced error accumulation. The separation of static reservoir features and dynamic production data allows efficient real-time updates when new data become available. These capabilities demonstrate TimeSenseNet’s potential for data-driven decision-making and more efficient shale oil production in unconventional reservoirs.</p>","PeriodicalId":35,"journal":{"name":"Energy & Fuels","volume":"40 9","pages":"4483–4501"},"PeriodicalIF":5.3,"publicationDate":"2026-02-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"147384557","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}
Characterizing pore–throat structures at the micron scale is essential for evaluating productivity in deepwater tight sandstone reservoirs, yet conventional well-log analysis lacks the resolution required to capture these features. This study proposes a scalable machine-learning-based workflow that integrates digital rock physics (DRP) measurements with continuous well-log data to enable the full-wellbore characterization of pore–throat properties. A Stacking ensemble model combining XGBoost, Gradient Boosting, Random Forest, Extra Trees, and CatBoost is developed to establish a robust cross-scale mapping from sparse DRP samples to logging responses under small-sample conditions. Using 423 DRP samples from 65 wells in the eastern South China Sea, the model achieves an average R2 of 0.90 in 10-fold cross-validation, substantially outperforming single-model approaches. Continuous 0.1 m resolution profiles of median pore–throat radius (R50) and connected pore ratio (CPR) show strong and physically consistent correspondence with independent production test data, with high R50 and CPR intervals systematically associated with higher oil rates. The results demonstrate that the proposed workflow provides a practical and engineering-relevant solution for continuous micron-scale reservoir characterization, supporting improved sweet-spot identification and development decision-making in deepwater tight sandstone reservoirs.
{"title":"Integrating Digital Rock Physics with Well-Log Data for Continuous Pore-Throat Characterization via Machine Learning","authors":"Qiantao Jiang, , , Xiaofei Gao, , , Guanqun Wang, , , Shilong Fu, , , Hongfei Zhao, , , Changjiang Li, , and , Wei Long*, ","doi":"10.1021/acs.energyfuels.5c06235","DOIUrl":"https://doi.org/10.1021/acs.energyfuels.5c06235","url":null,"abstract":"<p >Characterizing pore–throat structures at the micron scale is essential for evaluating productivity in deepwater tight sandstone reservoirs, yet conventional well-log analysis lacks the resolution required to capture these features. This study proposes a scalable machine-learning-based workflow that integrates digital rock physics (DRP) measurements with continuous well-log data to enable the full-wellbore characterization of pore–throat properties. A Stacking ensemble model combining XGBoost, Gradient Boosting, Random Forest, Extra Trees, and CatBoost is developed to establish a robust cross-scale mapping from sparse DRP samples to logging responses under small-sample conditions. Using 423 DRP samples from 65 wells in the eastern South China Sea, the model achieves an average <i>R</i><sup>2</sup> of 0.90 in 10-fold cross-validation, substantially outperforming single-model approaches. Continuous 0.1 m resolution profiles of median pore–throat radius (<i>R</i><sub>50</sub>) and connected pore ratio (CPR) show strong and physically consistent correspondence with independent production test data, with high <i>R</i><sub>50</sub> and CPR intervals systematically associated with higher oil rates. The results demonstrate that the proposed workflow provides a practical and engineering-relevant solution for continuous micron-scale reservoir characterization, supporting improved sweet-spot identification and development decision-making in deepwater tight sandstone reservoirs.</p>","PeriodicalId":35,"journal":{"name":"Energy & Fuels","volume":"40 9","pages":"4462–4474"},"PeriodicalIF":5.3,"publicationDate":"2026-02-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"147382524","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}
The development of biomass-derived fuels presents a promising solution for mitigating the severe carbon emissions associated with fossil fuels. A key strategy involves the direct refining of aqueous-phase bioethanol into higher alcohols, which serves as key precursors for diesel blendstocks and biojet fuel. Herein, to enable the direct upgrading of aqueous ethanol, we developed carbon-encapsulated Ni nanocatalysts (Ni@C) with water resistance by pyrolyzing organic precursors under acid–base regulation. The catalytic coupling yields 46.5 C-mol % of higher alcohols, of which C4–C7 and C8–C16 alcohols constitutes 56.9% and 35.2% in product selectivity, respectively. Excellent miscibility with diesel is exhibited by C4–C7 alcohols across a wide range of blending ratios. Furthermore, hydrodeoxygenation of C8–C16 alcohols provides a direct route to biojet fuel. Results from experiment and characterization demonstrate that acid–base regulation effectively tunes the local electronic structure and carbon defects on the Ni@C nanocatalyst surface. The proposed approach allows for precise modulation of the dehydrogenation, aldol condensation, and hydrogenation steps in the Guerbet reaction pathway, which suppress carbon chain scission and enhance the yield of higher alcohols. Overall, this research offers a novel and feasible strategy to the sustainable synthesis of higher alcohols from bioethanol, producing products directly applicable as blending components and biojet fuel precursors.
{"title":"Acid-Base Regulated Carbon-Encapsulated Nickel Nanocatalysts for Aqueous-Phase Upgrading of Ethanol to Higher Alcohols","authors":"Junwei Liao, , , Jiayu Wu, , , Shuting Jiang, , , Mingsi Wang, , , Yinyan Kong, , , Guanhua Shen, , , Jin Tan, , , Lianfen Chen*, , and , Minglei Lu*, ","doi":"10.1021/acs.energyfuels.5c05829","DOIUrl":"https://doi.org/10.1021/acs.energyfuels.5c05829","url":null,"abstract":"<p >The development of biomass-derived fuels presents a promising solution for mitigating the severe carbon emissions associated with fossil fuels. A key strategy involves the direct refining of aqueous-phase bioethanol into higher alcohols, which serves as key precursors for diesel blendstocks and biojet fuel. Herein, to enable the direct upgrading of aqueous ethanol, we developed carbon-encapsulated Ni nanocatalysts (Ni@C) with water resistance by pyrolyzing organic precursors under acid–base regulation. The catalytic coupling yields 46.5 C-mol % of higher alcohols, of which C<sub>4</sub>–C<sub>7</sub> and C<sub>8</sub>–C<sub>16</sub> alcohols constitutes 56.9% and 35.2% in product selectivity, respectively. Excellent miscibility with diesel is exhibited by C<sub>4</sub>–C<sub>7</sub> alcohols across a wide range of blending ratios. Furthermore, hydrodeoxygenation of C<sub>8</sub>–C<sub>16</sub> alcohols provides a direct route to biojet fuel. Results from experiment and characterization demonstrate that acid–base regulation effectively tunes the local electronic structure and carbon defects on the Ni@C nanocatalyst surface. The proposed approach allows for precise modulation of the dehydrogenation, aldol condensation, and hydrogenation steps in the Guerbet reaction pathway, which suppress carbon chain scission and enhance the yield of higher alcohols. Overall, this research offers a novel and feasible strategy to the sustainable synthesis of higher alcohols from bioethanol, producing products directly applicable as blending components and biojet fuel precursors.</p>","PeriodicalId":35,"journal":{"name":"Energy & Fuels","volume":"40 9","pages":"4683–4692"},"PeriodicalIF":5.3,"publicationDate":"2026-02-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"147384556","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}
Pub Date : 2026-02-23DOI: 10.1021/acs.energyfuels.5c05413
Steffen Schmitt*, , , Benedict Enderle, , , Tobias Schripp, , , Tobias Grein, , , Nina Gaiser, , , Sabrina T. K. Jensen, , , Peter W. Holm, , and , Markus Köhler,
Sustainable aviation fuels (SAFs) are receiving increasingly high attention by science, industry, and politics as they are considered an effective tool to reduce the impact of aviation on the climate system and air quality. While numerous experimental studies on the effects of SAFs were performed, these are often limited to specific test scenarios or engine measurements. This work combines predictions based on the DLR SimFuel platform with field data from the first campaign to investigate a 34% hydrotreated esters and fatty acids (HEFA) SAF blend under real-world operating conditions during regular passenger flights. For this purpose, an Airbus A320-251N flying between Copenhagen and Arlanda was fueled with conventional Jet A-1 for 30 flights during 1 week and with a 34% HEFA SAF blend for 85 flights in 2 weeks. The corresponding exhaust gas plumes during taxiing were analyzed by the DLR mobile lab. Equipped with state-of-the-art instruments, this analysis contains total and non-volatile particle number concentrations and size distribution, gas analytics (CO2 and NOx), and weather parameters. The results confirm the beneficial effects of SAF usage toward the air quality by reducing total particle emissions by about 10% and non-volatile particle emissions by about 40%. Also, this data set obtained under real-world conditions provides a valuable basis for model development and validation.
{"title":"Emission Impacts from Sustainable Aviation Fuel Blends via Engine Plume Measurements and Predictive Modeling at the Airport Scale","authors":"Steffen Schmitt*, , , Benedict Enderle, , , Tobias Schripp, , , Tobias Grein, , , Nina Gaiser, , , Sabrina T. K. Jensen, , , Peter W. Holm, , and , Markus Köhler, ","doi":"10.1021/acs.energyfuels.5c05413","DOIUrl":"https://doi.org/10.1021/acs.energyfuels.5c05413","url":null,"abstract":"<p >Sustainable aviation fuels (SAFs) are receiving increasingly high attention by science, industry, and politics as they are considered an effective tool to reduce the impact of aviation on the climate system and air quality. While numerous experimental studies on the effects of SAFs were performed, these are often limited to specific test scenarios or engine measurements. This work combines predictions based on the DLR SimFuel platform with field data from the first campaign to investigate a 34% hydrotreated esters and fatty acids (HEFA) SAF blend under real-world operating conditions during regular passenger flights. For this purpose, an Airbus A320-251N flying between Copenhagen and Arlanda was fueled with conventional Jet A-1 for 30 flights during 1 week and with a 34% HEFA SAF blend for 85 flights in 2 weeks. The corresponding exhaust gas plumes during taxiing were analyzed by the DLR mobile lab. Equipped with state-of-the-art instruments, this analysis contains total and non-volatile particle number concentrations and size distribution, gas analytics (CO<sub>2</sub> and NO<sub><i>x</i></sub>), and weather parameters. The results confirm the beneficial effects of SAF usage toward the air quality by reducing total particle emissions by about 10% and non-volatile particle emissions by about 40%. Also, this data set obtained under real-world conditions provides a valuable basis for model development and validation.</p>","PeriodicalId":35,"journal":{"name":"Energy & Fuels","volume":"40 9","pages":"4662–4669"},"PeriodicalIF":5.3,"publicationDate":"2026-02-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://pubs.acs.org/doi/pdf/10.1021/acs.energyfuels.5c05413","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"147382546","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}
Pub Date : 2026-02-23DOI: 10.1021/acs.energyfuels.5c05663
Biao Shu, , , Erasto E. Kasala*, , , Asia Majid, , , Mbula Ngoy Nadege, , and , Emanuel X. Ricky,
Unconventional shale gas is vital for clean energy and energy security. However, its ultralow permeability leads to low primary recovery. This study investigates CO2-enhanced shale gas recovery (ESGR) in the Yanchang shale reservoir by using a CMG-GEM compositional simulator with a dual porosity/permeability model, evaluating well placements and both continuous and huff-and-puff injection methods. Findings show that continuous CO2 injection increases CH4 recovery by 7.59% over no injection. For huff-and-puff, a shorter 1 year injection period yielded the highest CH4 recovery; extending injection to 2 and 3 years caused declines of 1.93 and 3.89%, respectively. Conversely, using five injection cycles resulted in the highest cumulative CH4 recovery. Starting CO2 injection later in the production lifecycle also optimized recovery, with a 1.15% increase observed after 10 years of initial CH4 production, as it utilizes more favorable reservoir pressure conditions. Moreover, for CO2 storage, the reservoir exhibited 99.565% efficiency during continuous injection. In huff-and-puff, longer injection durations improved storage, with a 3 year period achieving 98.35% efficiency. Similarly, five injection cycles yielded the highest storage efficiency, at 99.12%. Delaying the injection start time also significantly enhanced CO2 storage, with efficiency improving from 96.38% after 1 year to 98.35% after 10 years, leveraging improved pressure dynamics over time. In addition, a sensitivity analysis confirmed that key reservoir parameters, such as matrix porosity, permeability, and pressure, significantly influence both gas recovery and storage capacity. Critical hydraulic fracture parameters, including half-length, spacing, conductivity, and bottom-hole pressure, are essential for optimizing gas flow and CO2 injection efficiency. This study applies to tight shale gas formations worldwide, offering insights into optimizing hydraulic design and injection strategies to enhance shale gas production and CO2 sequestration, supporting global carbon management and climate change mitigation.
{"title":"Optimization of CH4 Recovery and CO2 Sequestration in Yanchang Shale Gas Reservoir through Hydraulic Fracturing Design and CO2 Injection Strategies: A Numerical Simulation Study","authors":"Biao Shu, , , Erasto E. Kasala*, , , Asia Majid, , , Mbula Ngoy Nadege, , and , Emanuel X. Ricky, ","doi":"10.1021/acs.energyfuels.5c05663","DOIUrl":"https://doi.org/10.1021/acs.energyfuels.5c05663","url":null,"abstract":"<p >Unconventional shale gas is vital for clean energy and energy security. However, its ultralow permeability leads to low primary recovery. This study investigates CO<sub>2</sub>-enhanced shale gas recovery (ESGR) in the Yanchang shale reservoir by using a CMG-GEM compositional simulator with a dual porosity/permeability model, evaluating well placements and both continuous and huff-and-puff injection methods. Findings show that continuous CO<sub>2</sub> injection increases CH<sub>4</sub> recovery by 7.59% over no injection. For huff-and-puff, a shorter 1 year injection period yielded the highest CH<sub>4</sub> recovery; extending injection to 2 and 3 years caused declines of 1.93 and 3.89%, respectively. Conversely, using five injection cycles resulted in the highest cumulative CH<sub>4</sub> recovery. Starting CO<sub>2</sub> injection later in the production lifecycle also optimized recovery, with a 1.15% increase observed after 10 years of initial CH<sub>4</sub> production, as it utilizes more favorable reservoir pressure conditions. Moreover, for CO<sub>2</sub> storage, the reservoir exhibited 99.565% efficiency during continuous injection. In huff-and-puff, longer injection durations improved storage, with a 3 year period achieving 98.35% efficiency. Similarly, five injection cycles yielded the highest storage efficiency, at 99.12%. Delaying the injection start time also significantly enhanced CO<sub>2</sub> storage, with efficiency improving from 96.38% after 1 year to 98.35% after 10 years, leveraging improved pressure dynamics over time. In addition, a sensitivity analysis confirmed that key reservoir parameters, such as matrix porosity, permeability, and pressure, significantly influence both gas recovery and storage capacity. Critical hydraulic fracture parameters, including half-length, spacing, conductivity, and bottom-hole pressure, are essential for optimizing gas flow and CO<sub>2</sub> injection efficiency. This study applies to tight shale gas formations worldwide, offering insights into optimizing hydraulic design and injection strategies to enhance shale gas production and CO<sub>2</sub> sequestration, supporting global carbon management and climate change mitigation.</p>","PeriodicalId":35,"journal":{"name":"Energy & Fuels","volume":"40 9","pages":"4528–4568"},"PeriodicalIF":5.3,"publicationDate":"2026-02-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"147382430","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}
The construction of a high-quality artificial solid electrolyte interphase (SEI) on lithium metal anodes is of great importance to regulate preferred crystal orientation, thereby realizing interfacial stability and dendrite suppression. Herein, we develop a novel low-temperature gas–liquid composite source (SF6 + silane coupling agent) plasma method for synthesis of dense inorganic–organic hybrid SEI on lithium metal anodes. The designed hybrid SEI layer consists of inorganic LiF and Li3N and organic lithium compounds (e.g., Li–O–Si). In-situ and ex-situ XRD results demonstrate that the modified hybrid SEI can induce preferential growth of the Li(110) crystal plane, thereby promoting lateral and dendrite-free morphology, in contrast to the (200)-oriented vertical dendrites of bare lithium. The preferential growth of the Li(110) plane is due to the synergistic effect of inorganic components (LiF and Li3N) and lithium compounds in SEI, which can enhance interfacial structural stability and inhibit dendrite propagation. Consequently, symmetric cells with modified Li metal anodes (P-SEI@Li) exhibit exceptional stability over 900 h at 1 mA cm–2/1 mAh cm–2 with a low overpotential of ∼11 mV. Full cells with LiNi0.9Co0.05Mn0.05O2 cathodes show improved capacity retention. This work demonstrates the effectiveness of plasma-engineered SEI in regulating crystal plane deposition and provides new insights for developing high-performance lithium metal batteries.
在锂金属阳极上构建高质量的人工固体电解质界面相(SEI)对于调节优选晶体取向,从而实现界面稳定性和枝晶抑制具有重要意义。在此,我们开发了一种新的低温气液复合源(SF6 +硅烷偶联剂)等离子体方法,用于在锂金属阳极上合成致密的无机-有机杂化SEI。所设计的杂化SEI层由无机LiF和Li3N以及有机锂化合物(如Li-O-Si)组成。原位和非原位XRD结果表明,改性杂化SEI可以诱导Li(110)晶面优先生长,从而促进横向和无枝晶形貌,而不是裸锂的(200)取向垂直枝晶。Li(110)平面的优先生长是由于SEI中无机组分(LiF和Li3N)与锂化合物的协同作用,增强了界面结构稳定性,抑制了枝晶的扩展。因此,具有改性锂金属阳极的对称电池(P-SEI@Li)在1 mA cm-2 /1 mAh cm-2下900小时内表现出优异的稳定性,过电位低至11 mV。以LiNi0.9Co0.05Mn0.05O2为阴极的电池容量保持率更高。这项工作证明了等离子体工程SEI在调节晶体平面沉积方面的有效性,并为开发高性能锂金属电池提供了新的见解。
{"title":"Plasma-Engineered Hybrid Interphase Induces Preferred Lithium Deposition for Enhanced Lithium Metal Anodes","authors":"Xueqi Du, , , Jiayuan Xiang, , , Ping Liu*, , , Long Wang, , , Haijun Yang, , , Guoxiang Pan, , , Feng Cao, , , Jianbo Wu, , , Zhong Qiu, , , Xinqi Liang, , , Yongqi Zhang*, , , Shenghui Shen, , , Ruyi Fang, , , Jun Zhang, , , Hui Huang, , , Yang Xia, , , Wenkui Zhang, , and , Xinhui Xia*, ","doi":"10.1021/acs.energyfuels.5c06790","DOIUrl":"https://doi.org/10.1021/acs.energyfuels.5c06790","url":null,"abstract":"<p >The construction of a high-quality artificial solid electrolyte interphase (SEI) on lithium metal anodes is of great importance to regulate preferred crystal orientation, thereby realizing interfacial stability and dendrite suppression. Herein, we develop a novel low-temperature gas–liquid composite source (SF<sub>6</sub> + silane coupling agent) plasma method for synthesis of dense inorganic–organic hybrid SEI on lithium metal anodes. The designed hybrid SEI layer consists of inorganic LiF and Li<sub>3</sub>N and organic lithium compounds (e.g., Li–O–Si). <i>In-situ</i> and <i>ex-situ</i> XRD results demonstrate that the modified hybrid SEI can induce preferential growth of the Li(110) crystal plane, thereby promoting lateral and dendrite-free morphology, in contrast to the (200)-oriented vertical dendrites of bare lithium. The preferential growth of the Li(110) plane is due to the synergistic effect of inorganic components (LiF and Li<sub>3</sub>N) and lithium compounds in SEI, which can enhance interfacial structural stability and inhibit dendrite propagation. Consequently, symmetric cells with modified Li metal anodes (P-SEI@Li) exhibit exceptional stability over 900 h at 1 mA cm<sup>–2</sup>/1 mAh cm<sup>–2</sup> with a low overpotential of ∼11 mV. Full cells with LiNi<sub>0.9</sub>Co<sub>0.0</sub><sub>5</sub>Mn<sub>0.05</sub>O<sub>2</sub> cathodes show improved capacity retention. This work demonstrates the effectiveness of plasma-engineered SEI in regulating crystal plane deposition and provides new insights for developing high-performance lithium metal batteries.</p>","PeriodicalId":35,"journal":{"name":"Energy & Fuels","volume":"40 9","pages":"4886–4895"},"PeriodicalIF":5.3,"publicationDate":"2026-02-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"147382454","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}
Pub Date : 2026-02-23DOI: 10.1021/acs.energyfuels.5c06614
Yongfei Yang*, , , Yiming Wang, , , Xinze Li, , , Yingwen Li, , , Hai Sun, , , Lei Zhang, , , Junjie Zhong, , , Kai Zhang, , and , Jun Yao,
Understanding the influence of coal composition on pore structure during thermal evolution is fundamental for elucidating the patterns of pore development and is essential for evaluating deep coalbed methane resources as well as identifying favorable target zones. This study analyzed deep coal samples of varying thermal maturity from the main strata of the Ordos Basin using basic property analysis, mercury intrusion porosimetry (MIP), low-temperature N2 adsorption (LT-N2A), and low-pressure CO2 adsorption (LP-CO2A) to comprehensively quantify the multiscale pore structures. Additionally, the fractal characteristics of the pore structure were investigated. The results indicate that, as thermal maturity increases, vitrinite content decreases while inertinite becomes enriched, fixed carbon initially declines then rises, volatile matter steadily decreases, and ash content relatively increases. Pore structure analysis reveals a negative correlation between the content of active components (vitrinite, volatile matter) and total pore volume, while inert components (inertinite, fixed carbon) correlate positively. Based on this component-pore relationship, a Pore Development Index (α) and a total pore volume fitting model were developed as quantitative indicators for reservoir evaluation. Fractal analysis reveals distinct fractal characteristics across all pore scales. Pore parameters significantly correlate with fractal dimension: the positive correlation between pore volume/specific surface area and fractal dimension in micropores and mesopores; the negative correlation for macropore pore volume. Specifically, the macropore fractal dimension decreases after the maximum vitrinite reflectance (Ro, max) of 1.9%, whereas the fractal dimensions of micropores and mesopores continuously increase. Furthermore, the content of macerals and volatile matter exerts a controlling influence on the fractal dimensions of micropores and mesopores. This study elucidates the multiscale evolution and compositional control of deep coal pore systems, providing an index and model to support reservoir quality assessment and sweet-spot prediction in deep coalbed methane exploration.
{"title":"Multiscale Pore Structure of Deep Coal with Varying Thermal Maturity in the Eastern Ordos Basin: A Perspective from Coal Composition","authors":"Yongfei Yang*, , , Yiming Wang, , , Xinze Li, , , Yingwen Li, , , Hai Sun, , , Lei Zhang, , , Junjie Zhong, , , Kai Zhang, , and , Jun Yao, ","doi":"10.1021/acs.energyfuels.5c06614","DOIUrl":"https://doi.org/10.1021/acs.energyfuels.5c06614","url":null,"abstract":"<p >Understanding the influence of coal composition on pore structure during thermal evolution is fundamental for elucidating the patterns of pore development and is essential for evaluating deep coalbed methane resources as well as identifying favorable target zones. This study analyzed deep coal samples of varying thermal maturity from the main strata of the Ordos Basin using basic property analysis, mercury intrusion porosimetry (MIP), low-temperature N<sub>2</sub> adsorption (LT-N<sub>2</sub>A), and low-pressure CO<sub>2</sub> adsorption (LP-CO<sub>2</sub>A) to comprehensively quantify the multiscale pore structures. Additionally, the fractal characteristics of the pore structure were investigated. The results indicate that, as thermal maturity increases, vitrinite content decreases while inertinite becomes enriched, fixed carbon initially declines then rises, volatile matter steadily decreases, and ash content relatively increases. Pore structure analysis reveals a negative correlation between the content of active components (vitrinite, volatile matter) and total pore volume, while inert components (inertinite, fixed carbon) correlate positively. Based on this component-pore relationship, a Pore Development Index (α) and a total pore volume fitting model were developed as quantitative indicators for reservoir evaluation. Fractal analysis reveals distinct fractal characteristics across all pore scales. Pore parameters significantly correlate with fractal dimension: the positive correlation between pore volume/specific surface area and fractal dimension in micropores and mesopores; the negative correlation for macropore pore volume. Specifically, the macropore fractal dimension decreases after the maximum vitrinite reflectance (<i>R</i><sub>o, max</sub>) of 1.9%, whereas the fractal dimensions of micropores and mesopores continuously increase. Furthermore, the content of macerals and volatile matter exerts a controlling influence on the fractal dimensions of micropores and mesopores. This study elucidates the multiscale evolution and compositional control of deep coal pore systems, providing an index and model to support reservoir quality assessment and sweet-spot prediction in deep coalbed methane exploration.</p>","PeriodicalId":35,"journal":{"name":"Energy & Fuels","volume":"40 9","pages":"4613–4630"},"PeriodicalIF":5.3,"publicationDate":"2026-02-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"147382431","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}
Waxy crude oil plays a vital role in global energy supply. However, wax deposition in pipelines remains a key challenge that restricts its safe and efficient development, including production and transportation. This paper provides a comprehensive review of research progress on pipeline wax deposition in waxy crude oil. First, the mechanisms of wax deposition are analyzed, with particular attention to the formation mechanisms of the wax-gel layer. Second, the major factors influencing wax deposition, including crude oil properties and operating conditions, are summarized and their effects are discussed. Third, commonly used wax prevention and removal technologies in oilfields are reviewed, their advantages and limitations are compared, and special emphasis is placed on several green and sustainable techniques. Finally, based on these analyses, the limitations of current studies are identified and future research directions are proposed: (1) investigating the emerging and potential mechanisms of wax deposition, the synergistic effects among multiple wax formation processes and multicomponent coupled deposition behaviors; (2) exploring the interactive effects among various influencing factors; (3) developing hybrid wax control strategies that integrate multiple inhibition techniques and advancing natural, eco-friendly, and highly efficient inhibition methods; (4) assessing the potential industrial utilization and recycling pathways of wax deposits; and (5) incorporating artificial intelligence and digital technologies to explore their potential in wax deposition analysis and prediction. This review provides theoretical insights and technical references for the safe and efficient development of waxy crude oil.
{"title":"A Review of Wax Deposition in Waxy Crude Oil Pipelines: Recent Advances and Future Perspectives","authors":"Pingli Liu, , , Jiashun Li, , , Xiang Chen*, , , Juan Du, , , Qisheng Huang, , , Chengwei Zuo, , , Hongming Tang, , , Zhongxuan Wang, , and , Rui Wang, ","doi":"10.1021/acs.energyfuels.5c06407","DOIUrl":"https://doi.org/10.1021/acs.energyfuels.5c06407","url":null,"abstract":"<p >Waxy crude oil plays a vital role in global energy supply. However, wax deposition in pipelines remains a key challenge that restricts its safe and efficient development, including production and transportation. This paper provides a comprehensive review of research progress on pipeline wax deposition in waxy crude oil. First, the mechanisms of wax deposition are analyzed, with particular attention to the formation mechanisms of the wax-gel layer. Second, the major factors influencing wax deposition, including crude oil properties and operating conditions, are summarized and their effects are discussed. Third, commonly used wax prevention and removal technologies in oilfields are reviewed, their advantages and limitations are compared, and special emphasis is placed on several green and sustainable techniques. Finally, based on these analyses, the limitations of current studies are identified and future research directions are proposed: (1) investigating the emerging and potential mechanisms of wax deposition, the synergistic effects among multiple wax formation processes and multicomponent coupled deposition behaviors; (2) exploring the interactive effects among various influencing factors; (3) developing hybrid wax control strategies that integrate multiple inhibition techniques and advancing natural, eco-friendly, and highly efficient inhibition methods; (4) assessing the potential industrial utilization and recycling pathways of wax deposits; and (5) incorporating artificial intelligence and digital technologies to explore their potential in wax deposition analysis and prediction. This review provides theoretical insights and technical references for the safe and efficient development of waxy crude oil.</p>","PeriodicalId":35,"journal":{"name":"Energy & Fuels","volume":"40 9","pages":"4406–4444"},"PeriodicalIF":5.3,"publicationDate":"2026-02-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"147384254","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}
This study fabricated flexible phase change composites (PCCs) by integrating paraffin wax (PW) as the phase change material, ethylene-propylene-diene monomer (EPDM) as the matrix, and expanded graphite (EG) as the adsorption filler. The dual encapsulation networks-comprising EG porous adsorption and EPDM cross-linking structure were engineered to optimize thermal and mechanical performance. The resulting EPDM/PW@EG-60%, featuring a C–Sx–C cross-linking network, exhibits excellent low-temperature flexibility, good impact resistance, high latent heat of 140.1 J/g, and satisfactory cycling stability with only 2.4% enthalpy attenuation after 100 thermal cycles. Additionally, it shows a low leakage rate of 1.2% even under 500 g load at 60 °C for 10 h. In contrast, EPDM/PW@EG-60%-DCP with a C–C cross-linking network showed correspondingly lower performance: a lower latent heat of 130.8 J/g and reduced cycling stability, with an enthalpy loss of 5.3% after 100 thermal cycles. To our knowledge, this work represents the first report on the influence of EPDM cross-linking network structure on the mechanical strength, latent heat capacity, and thermal cycling stability of PCCs, elaborating the underlying mechanisms. This work provides critical theoretical insights and scientific guidelines for designing flexible PCCs with high latent heat and low leakage rate.
{"title":"Flexible, Robust, and Leakage-Resistant Phase Change Composites: Effect of the Cross-Linking Network on Performance","authors":"Zilong Chen, , , Xingyu Liu, , , Chenbo Xin, , , Fanzhu Li, , , Jun Lin*, , and , Shaojian He*, ","doi":"10.1021/acs.energyfuels.5c06556","DOIUrl":"https://doi.org/10.1021/acs.energyfuels.5c06556","url":null,"abstract":"<p >This study fabricated flexible phase change composites (PCCs) by integrating paraffin wax (PW) as the phase change material, ethylene-propylene-diene monomer (EPDM) as the matrix, and expanded graphite (EG) as the adsorption filler. The dual encapsulation networks-comprising EG porous adsorption and EPDM cross-linking structure were engineered to optimize thermal and mechanical performance. The resulting EPDM/PW@EG-60%, featuring a C–S<sub><i>x</i></sub>–C cross-linking network, exhibits excellent low-temperature flexibility, good impact resistance, high latent heat of 140.1 J/g, and satisfactory cycling stability with only 2.4% enthalpy attenuation after 100 thermal cycles. Additionally, it shows a low leakage rate of 1.2% even under 500 g load at 60 °C for 10 h. In contrast, EPDM/PW@EG-60%-DCP with a C–C cross-linking network showed correspondingly lower performance: a lower latent heat of 130.8 J/g and reduced cycling stability, with an enthalpy loss of 5.3% after 100 thermal cycles. To our knowledge, this work represents the first report on the influence of EPDM cross-linking network structure on the mechanical strength, latent heat capacity, and thermal cycling stability of PCCs, elaborating the underlying mechanisms. This work provides critical theoretical insights and scientific guidelines for designing flexible PCCs with high latent heat and low leakage rate.</p>","PeriodicalId":35,"journal":{"name":"Energy & Fuels","volume":"40 9","pages":"4864–4873"},"PeriodicalIF":5.3,"publicationDate":"2026-02-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"147382509","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}