Energy & Fuels最新文献

{"title":"Safety Hazards of Lithium Metal Batteries: From the Perspective of Lithium Dendrites and Thermal Runaway","authors":"Xiangming Cui,&nbsp;Jingzhao Wang,&nbsp;Shiyi Sun,&nbsp;Xin Chen,&nbsp;Yunqing Wang,&nbsp;Daohong Han,&nbsp;Jianan Wang*,&nbsp;Xuhui Yao* and Wei Yan*,&nbsp;","doi":"10.1021/acs.energyfuels.5c0072810.1021/acs.energyfuels.5c00728","DOIUrl":"https://doi.org/10.1021/acs.energyfuels.5c00728https://doi.org/10.1021/acs.energyfuels.5c00728","url":null,"abstract":"<p >Lithium metal batteries (LMBs) have stepped into the spotlight for a decade, featuring significant potential for high energy density as well as compatibility with off-the-shelf lithium-ion technologies. However, the commercialization of LMBs has lagged behind expectations due to safety concerns related to short circuits. Recent advancements have focused on tackling lithium dendrites and separator/electrolyte-related dielectric failure. In this review, we cover the main factors that promote lithium dendrites and cause separator/electrolyte failure, highlighting the lithium plating mechanism and the decomposition chain triggered by Joule heat. Based on the fundamentals of electrochemistry, we assess and summarize the promising approaches that have been widely applied and proven in literature practice, including the construction of separators with high mechanical modulus and lithium affinity, the incorporation of functional components in electrolytes to regulate lithium plating, and the enhancement of the thermal stability and thermal strain ability of the separator/electrolyte system, among others. We believe that the understanding of mechanisms and proposed strategies may approach the threshold of breakthroughs, and a periodical review is helpful for both academia and industry in pursuing the commercialization of LMBs.</p>","PeriodicalId":35,"journal":{"name":"Energy & Fuels","volume":"39 16","pages":"7665–7690 7665–7690"},"PeriodicalIF":5.2,"publicationDate":"2025-04-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143863213","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}

{"title":"Intensified Biogas-to-Fuels/Chemicals: Optimizing Tandem Bireforming and Fischer–Tropsch Synthesis in a Single Reactor","authors":"Olusola Johnson,&nbsp;Yang He,&nbsp;Babu Joseph* and John N. Kuhn*,&nbsp;","doi":"10.1021/acs.energyfuels.5c0055110.1021/acs.energyfuels.5c00551","DOIUrl":"https://doi.org/10.1021/acs.energyfuels.5c00551https://doi.org/10.1021/acs.energyfuels.5c00551","url":null,"abstract":"<p >Gas-to-liquid (GTL) technologies offer promising pathways for converting biogas into sustainable fuels and chemicals, yet conventional approaches require multireactor systems operating under significantly different conditions. This study investigates an intensified, integrated approach that combines bireforming and Fischer–Tropsch synthesis (FTS) into a single-reactor system with distinct temperature zones under uniform pressure. In the reforming zone (700–850 °C), a Ni₃Zn/SiO₂ catalyst converted methane and carbon dioxide into syngas, achieving single-pass CH₄ and CO₂ conversions of 82 and 23%, respectively. The syngas produced was subsequently converted to hydrocarbons in the FTS zone (350–400 °C) in the same reactor by using a potassium-promoted iron catalyst, yielding 16% total C₂₊ mass, which included 9.8% C₂–C₄ (6.5% olefins) and 3.8% C₅₊ hydrocarbons in the gas phase, along with liquid diesel-range products (C₉–C₁₉). Catalyst stability was demonstrated over 15 h of continuous operation using landfill-derived biogas. Parametric sensitivity study of the reaction conditions revealed that the hydrocarbon yield and product distribution could be effectively tuned by adjusting the FTS temperature and pressure to balance reaction kinetics and thermodynamic constraints. These results highlight the potential for this integrated approach to significantly enhance the economic feasibility and sustainability of small-scale, distributed GTL processes utilizing renewable biogas and stranded gas resources.</p>","PeriodicalId":35,"journal":{"name":"Energy & Fuels","volume":"39 16","pages":"7815–7829 7815–7829"},"PeriodicalIF":5.2,"publicationDate":"2025-04-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143863147","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}

{"title":"Thermal Transient Performance of PEM Fuel Cells in Aerospace Applications: A Numerical Study","authors":"Mehdi Seddiq,&nbsp;Mohammad Alnajideen* and Rukshan Navaratne,&nbsp;","doi":"10.1021/acs.energyfuels.4c0483410.1021/acs.energyfuels.4c04834","DOIUrl":"https://doi.org/10.1021/acs.energyfuels.4c04834https://doi.org/10.1021/acs.energyfuels.4c04834","url":null,"abstract":"<p >Polymer electrolyte membrane fuel cells (PEMFCs) are gaining attention as viable energy carriers for future aerospace propulsion systems due to their high-power density, lightweight and compact design, zero emissions, scalability, quiet operation, and relatively reliable performance. However, maintaining optimal performance and durability under transient thermal conditions remains a critical challenge, particularly in aerospace environments. Despite extensive research on PEMFCs, the transient thermal effects remain underexplored. This study employs a validated numerical simulation model to investigate the transient responses of a PEMFC subjected to thermal shock cycles, where the bipolar plate walls experience abrupt temperature drops to 10 °C for durations of 3 to 19 s. The simulation model was benchmarked against experimental data from the literature, demonstrating deviations of less than 10% in the polarization curves, confirming its reliability for predicting transient behaviors. Results reveal that during these thermal shocks, the current density decreases by approximately 15%, from 9263 A/m² at 50 °C to 7709 A/m² at 10 °C, with recovery times exceeding 4 s. Significant deviations were observed in oxygen concentration, particularly at the cathode catalyst layer, where minimum levels decreased by over 20%. Similarly, the water content in the membrane showed an overshoot above steady-state levels postrecovery, remaining elevated for extended periods. Liquid water saturation in the gas diffusion layers (GDLs) increased significantly near the hydrogen inlets during cold conditions, obstructing reactant flow and further impacting performance. This study provides detailed predictions of the steady-state and transient responses of PEMFCs to temperature reduction cycles. The findings contribute to advancing thermal management strategies and improving system resilience under transient conditions, thereby addressing a key challenge in sustainable aviation.</p>","PeriodicalId":35,"journal":{"name":"Energy & Fuels","volume":"39 16","pages":"7876–7889 7876–7889"},"PeriodicalIF":5.2,"publicationDate":"2025-04-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://pubs.acs.org/doi/epdf/10.1021/acs.energyfuels.4c04834","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143863209","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}

{"title":"Influence of Feedstock Water Content on Renewable Carbon Black Production Through High-Temperature Pyrolysis of Upgraded Bio-Oils","authors":"Jonas Wennebro*,&nbsp;Therese Vikström,&nbsp;Ole Reinsdorf and Henrik Wiinikka,&nbsp;","doi":"10.1021/acs.energyfuels.5c0030810.1021/acs.energyfuels.5c00308","DOIUrl":"https://doi.org/10.1021/acs.energyfuels.5c00308https://doi.org/10.1021/acs.energyfuels.5c00308","url":null,"abstract":"<p >Pyrolysis oil (PO) derived from biomass has the potential to serve as a renewable feedstock for future carbon black (CB) production. However, its composition is significantly different from the fossil feedstocks currently used for CB manufacturing, as it contains higher concentrations of oxygen and water that might influence the yield and nanostructure of CB. In this article, we examine how the water content in PO affects the production of CB at high-temperature pyrolysis (1400–1600 °C) in an electrically heated entrained flow reactor. The main objective was to investigate the influence of water content on the yield and quality of the CB produced from upgraded PO with varying inherent water contents (0–20 wt %). The experiments in this work were performed with model compounds to simulate an upgraded PO. The produced CB was characterized by using several analytical techniques, including elemental composition, powder X-ray diffraction, transmission electron microscopy, and nitrogen physisorption. The results show a clear correlation between the water content in the PO feedstock and the output of CB, showing a reduced yield of CB as the water content increases. These results highlight the crucial role of feedstock composition in making PO a viable renewable feedstock for CB production.</p>","PeriodicalId":35,"journal":{"name":"Energy & Fuels","volume":"39 16","pages":"7805–7814 7805–7814"},"PeriodicalIF":5.2,"publicationDate":"2025-04-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://pubs.acs.org/doi/epdf/10.1021/acs.energyfuels.5c00308","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143863210","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}

{"title":"Influence of Polyvinylpyrrolidone and Cassava Starch on the Formation Kinetics of CO2 Hydrate","authors":"Nan Li,&nbsp;Xucheng Dong,&nbsp;Jingkai Xu,&nbsp;Jingchen Liu,&nbsp;Zhi Li,&nbsp;Xing Huang,&nbsp;Jingyu Kan*,&nbsp;Changyu Sun and Guangjin Chen*,&nbsp;","doi":"10.1021/acs.energyfuels.5c0064410.1021/acs.energyfuels.5c00644","DOIUrl":"https://doi.org/10.1021/acs.energyfuels.5c00644https://doi.org/10.1021/acs.energyfuels.5c00644","url":null,"abstract":"<p >CO₂ hydrate blockages may occur in the application of CO₂ capture, utilization, and storage (CCUS). Under specific conditions, CO₂ hydrates exhibit great stability and pose significant challenges in prevention and control. Current research primarily focuses on the prevention of natural gas hydrates, while research on the prevention of CO₂ hydrates is relatively limited. In this work, the formation kinetics of CO₂ hydrates in the presence of two kinetic inhibitors, polyvinylpyrrolidone (PVP) and cassava starch, were investigated. Effects of subcooling, inhibitor concentrations, inhibitor molecular weights, and compositions of the mixture of PVP and starch were considered. The results indicate that at subcooling lower than 6.2 K (2.5 MPa, 272.95 K), 1 wt % PVP-K32 can exhibit good inhibition effect. Cassava starch has a better inhibition effect than PVP, with concentration of 0.2–0.5 wt %, it can effectively inhibit the hydrate formation for more than 6 h at the subcooling of 6.2K (2.5 MPa, 272.95 K). Inhibitor blend (1 wt % PVP-K32 + 1 wt % cassava starch) demonstrates good inhibition performance at the high subcooling of 8.9 K (3.5 MPa, 272.95 K). A significant concentration effect was observed. Under the supercooling of 8.9 K, PVP-K32 can delay the nucleation of hydrates, but its inhibitory effect on the growth process of the hydrates became weak with the increase of concentration. CO₂ hydrates exhibited a distinct interface growth phenomenon, forming thin films that act as a barrier to mass transfer. Stable hydrate films along with kinetic inhibitors inhibited the nucleation and growth of hydrates. However, under high turbulence conditions, this inhibitory effect is significantly weakened. In addition, sheet-like or vein-like hydrates morphologies were also observed in the presence of inhibitors. These results can provide support for the development of kinetic inhibitors for CO₂ hydrates to address hydrate blockage issues in CO₂-related engineering.</p>","PeriodicalId":35,"journal":{"name":"Energy & Fuels","volume":"39 16","pages":"7766–7780 7766–7780"},"PeriodicalIF":5.2,"publicationDate":"2025-04-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143863146","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}

{"title":"Recent Advances in Cerium-Based Catalysts for NO Reduction by CO: A Review","authors":"Pengyu Du,&nbsp;Chuanmin Chen*,&nbsp;Xianghongyang Chen,&nbsp;Yue Cao,&nbsp;Wenbo Jia,&nbsp;Zhaofeng Guo and Songtao Liu,&nbsp;","doi":"10.1021/acs.energyfuels.5c0083710.1021/acs.energyfuels.5c00837","DOIUrl":"https://doi.org/10.1021/acs.energyfuels.5c00837https://doi.org/10.1021/acs.energyfuels.5c00837","url":null,"abstract":"<p >Nitrogen oxides (NO_<i>x</i>) are a significant component of air pollutants, and research on denitrification (de-NO_<i>x</i>) catalysts has become relatively mature. However, in specific fields, such as industrial production and vehicle operation, exhaust also primarily contains carbon monoxide (CO). CO selective catalytic reduction (CO-SCR) effectively eliminates NO_<i>x</i> from flue gases while converting CO into non-toxic carbon dioxide (CO₂). Although Ce-based catalysts are a major focus of research in de-NO_<i>x</i> treatment, there is a lack of comprehensive reviews on their application in CO reduction of NO. This review examines the reaction mechanisms of CO-SCR and evaluates the catalytic performance of various Ce-based catalysts within the current research framework. Both catalysts with Ce-based active components and supported cerium-based catalysts showed superior performance, with NO conversion rates typically exceeding 90% and complete CO conversion at approximately 300 °C. This review examines catalyst chemical poisoning and outlines the deactivation causes of Ce-based catalysts when exposed to oxygen, water vapor, and sulfur dioxide. It also proposes corresponding mitigation strategies. On this basis, some suggestions for future research on industrial flue gas denitrification are proposed. This review seeks to offer insights for the industrial use of CO-SCR catalysts.</p>","PeriodicalId":35,"journal":{"name":"Energy & Fuels","volume":"39 16","pages":"7691–7712 7691–7712"},"PeriodicalIF":5.2,"publicationDate":"2025-04-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143863205","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}

{"title":"Separate Classification Prediction Model for Lithofacies Identification of Paleogene Yingxiongling Shale, Qaidam Basin","authors":"Yue Shen,&nbsp;Songtao Wu*,&nbsp;Yinghao Shen,&nbsp;Kunyu Wu,&nbsp;Yafeng Li,&nbsp;Di Zhang,&nbsp;Haoting Xing and Chanfei Wang,&nbsp;","doi":"10.1021/acs.energyfuels.5c0041410.1021/acs.energyfuels.5c00414","DOIUrl":"https://doi.org/10.1021/acs.energyfuels.5c00414https://doi.org/10.1021/acs.energyfuels.5c00414","url":null,"abstract":"<p >Abundant shale oil resources have been discovered in the upper member of the Paleogene Lower Ganchaigou Formation of the Yingxiongling area from the Qaidam Basin, China. The lithofacies of Yingxiongling shale oil exhibit strong heterogeneity vertically. Accurate lithofacies identification is the key to characterizing the potential of unconventional oil and gas resources. Traditional lithofacies identification is limited by factors such as the duration of experiments and the subjectivity of the scholars. Only a limited amount of coring section data is available for analysis, while a sea of logging data remains underutilized. Therefore, utilizing machine learning algorithms to effectively leverage logging data for constructing the accurate lithofacies identification model has become a crucial area in both academia and industry. In this paper, 15 basic logging curves were used, and algorithms of random forest (RF), support vector machine (SVM), and extreme gradient boosting (XGBoost) were selected through Python programming to establish machine learning classification models, identifying the lithofacies types of Yingxiongling shale and analyzing the results. The lithofacies classification scheme of Yingxiongling shale is based on “rock structure + mineral composition”, developing 8 lithofacies types: thin-bedded/laminated dolomitic limestone, thin-bedded/laminated limy dolostone, thin-bedded sandstone, laminated shale, and thin-bedded/laminated mixed rock. Due to the differing sensitivities of various logging data in identifying rock structures and mineral compositions, the corresponding algorithms and parameters vary accordingly. Hence, an innovative stepwise prediction model integrating “sedimentary structures and mineral composition” is proposed. The model first identified the rock structure through the genetic algorithm-RF and 15 logging curves, yielding thin-bedded/laminated structures. Then, SVM and 9 logging curves were used to identify mineral composition, yielding limy dolostone, dolomitic limestone, sandstone, shale, and mixed rock. The lithofacies were obtained by integrating the predicted results from the two models. The maximum accuracy of identifying rock structure and mineral composition can reach 87.3% and 78.7%, respectively, and the maximum prediction accuracy of the separate prediction model reached 73.2%, which is 22% higher than that of the direct prediction model. The relationship between the well logging curves and the predicted results is discussed, and the reasons for errors will be explained. These understandings can further help provide new ideas and methods for the identification of shale lithofacies types and can provide scientific guidance and technical support for the exploration and development of the Qaidam Basin.</p>","PeriodicalId":35,"journal":{"name":"Energy & Fuels","volume":"39 16","pages":"7751–7765 7751–7765"},"PeriodicalIF":5.2,"publicationDate":"2025-04-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143863091","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}

{"title":"Canada’s Hydrogen Future: Innovations, Policies, and Global Perspectives","authors":"Bahram Ghorbani,&nbsp;Sohrab Zendehboudi*,&nbsp;Noori M. Cata Saady and Greg F. Naterer,&nbsp;","doi":"10.1021/acs.energyfuels.5c0005610.1021/acs.energyfuels.5c00056","DOIUrl":"https://doi.org/10.1021/acs.energyfuels.5c00056https://doi.org/10.1021/acs.energyfuels.5c00056","url":null,"abstract":"<p >Canada has the essential elements to develop a sustainable hydrogen (H₂) economy, including abundant feedstock, a strong energy sector, and international partnerships. The country’s climate commitments, financial incentives, and expertise position it as a leader in pursuing net-zero goals. However, a comprehensive framework is needed to integrate H₂ storage technologies, industrial applications, research and development (R&amp;D), regulations, and international collaborations. This review paper presents a detailed assessment of H₂ storage methods, their applications, and key end-users in Canada. The application across various domains is examined in detail, including its role as a fuel (e.g., electricity generation and transportation), a heat source (e.g., buildings and industrial processes), and a feedstock (e.g., the oil and gas sectors and synthetic fuel production). The regulatory and policy frameworks that shape Canada’s H₂ economy are analyzed, with a focus on key initiatives, funding programs, and their associated opportunities and challenges. R&amp;D needs are highlighted, focusing on current R&amp;D activities, key priorities, and areas for future investments. The contributions of public-private partnerships in advancing H₂ R&amp;D in conjunction with contributions from research centers and universities across Canada are considered. Key findings and insights are categorized, and the prospects for H₂ energy in Canada’s future are discussed. Recommendations are provided for policymakers, industry stakeholders, and researchers to support the continued development and implementation of H₂ energy solutions. In addition, the strategies and objectives of the H₂ short-, medium-, and long-term plans are presented with highlights of the provincial strategies. International collaborations and case studies are discussed, and insights into global practices and their applications in Canada are provided.</p>","PeriodicalId":35,"journal":{"name":"Energy & Fuels","volume":"39 16","pages":"7605–7648 7605–7648"},"PeriodicalIF":5.2,"publicationDate":"2025-04-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143863083","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}

{"title":"Effect of Mg/Al Molar Ratio on the Catalytic Performance of Cu-MgAlO Mixed Oxide Catalysts in the Hydrodeoxygenation of Benzyl Alcohol","authors":"Claudiu-Eduard Rizescu,&nbsp;Chao Sun,&nbsp;Florica Papa,&nbsp;Paul Mereuţă,&nbsp;Constantin Cătălin Negrilă,&nbsp;Ionel Popescu,&nbsp;Patrick Da Costa,&nbsp;Adriana Urdă and Ioan-Cezar Marcu*,&nbsp;","doi":"10.1021/acs.energyfuels.5c0029210.1021/acs.energyfuels.5c00292","DOIUrl":"https://doi.org/10.1021/acs.energyfuels.5c00292https://doi.org/10.1021/acs.energyfuels.5c00292","url":null,"abstract":"<p >The catalytic hydrodeoxygenation (HDO) of lignocellulose-derived pyrolysis oil is a critical process for producing high-quality biofuels. This study investigates the effect of the Mg/Al molar ratio on the catalytic performance of CuMg(Al)O mixed oxide catalysts in the HDO reaction of benzyl alcohol as a model oxygenated compound. They were synthesized by coprecipitation with a fixed Cu content of 15 at. %, with respect to cations, and different Mg/Al molar ratios (0/1, 1/1, 3/1, 5/1, and 1/0). The catalysts were characterized using X-ray diffraction (XRD), energy dispersive X-ray spectroscopy (EDX), X-ray photoelectron spectroscopy (XPS), diffuse reflectance infrared Fourier transform spectroscopy (DRIFTS), UV–vis spectroscopy, nitrogen adsorption–desorption isotherms, temperature-programmed reduction with hydrogen (H₂-TPR), and temperature-programmed desorption (TPD) of CO₂ and NH₃. It has been shown that the Mg/Al molar ratio strongly influences the physicochemical characteristics of the CuMg(Al)O mixed oxides and, hence, their catalytic performance. Catalytic tests were conducted in a stainless-steel autoclave reactor and the obtained results indicated that the systems with Mg/Al molar ratios of 3/1 and 5/1, issued from layered double hydroxide precursors, exhibited the highest activity, with yields to toluene higher than 85%. This superior performance is attributed to the well-dispersed copper species on the catalyst surface combined with appropriate acid–base properties. As the CuMg(Al)O system with Mg/Al molar ratio of 5/1 was the best in terms of benzyl alcohol conversion, i.e., ca. 98% at 230 °C, under 5 atm of H₂, for 3 h of reaction time, with high selectivity to toluene of ca. 87%, the influence of the reaction time, temperature and reusability over multiple reaction cycles on its performance were investigated.</p>","PeriodicalId":35,"journal":{"name":"Energy & Fuels","volume":"39 16","pages":"7790–7804 7790–7804"},"PeriodicalIF":5.2,"publicationDate":"2025-04-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143863256","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}

{"title":"Thermal Decomposition of Metacinnabar (β-HgS) during Monoethylene Glycol Regeneration in Natural Gas Processing","authors":"Chengyi Hong,&nbsp;Xiaopeng Huang,&nbsp;Tzu-An Lee,&nbsp;Yuanhao Zhou,&nbsp;Jonas Wielinski,&nbsp;Marcus Mello,&nbsp;Raja Jadhav,&nbsp;Daniel Chinn,&nbsp;Evan S. Hatakeyama,&nbsp;Thomas Hoelen and Gregory V. Lowry*,&nbsp;","doi":"10.1021/acs.energyfuels.5c0042810.1021/acs.energyfuels.5c00428","DOIUrl":"https://doi.org/10.1021/acs.energyfuels.5c00428https://doi.org/10.1021/acs.energyfuels.5c00428","url":null,"abstract":"<p >Elemental mercury and mercury (Hg)-bearing particles may be present in gas and condensate from specific geologic reservoirs and be coproduced with them. In this study, we found that over 70% of the Hg mass in field monoethylene glycol (MEG) is present as 100–200 nm particulate β-HgS, and it is therefore important to understand the decomposition behavior of β-HgS in MEG to determine the partitioning of mercury species in liquid natural gas (LNG) plants. Thermal decomposition studies in MEG and MEG-water solutions showed that β-HgS decomposition to elemental mercury started at around 100 °C, which is significantly lower than the 200 °C required for β-HgS decomposition in an inert gas. Density functional theory calculations supported the experimental observations that β-HgS has a lower decomposition temperature in solvents than its counterpart without a solvent because the solvent interactions decrease the Hg–S bond strength. Thermal decomposition studies at 130 °C showed that increased water content and decreased β-HgS particle size significantly increased the decomposition rate, while some common additives in field MEG did not have a significant effect. Experiment results suggest the decomposition pathway of β-HgS in MEG/water includes dissolution to form dissolved Hg(II) ions, followed by reduction to form elemental mercury by reaction with MEG. This study highlights the strong effect of solvent on the thermal decomposition mechanism of β-HgS, improving our understanding of the fate and species of Hg in petrochemical processing.</p>","PeriodicalId":35,"journal":{"name":"Energy & Fuels","volume":"39 16","pages":"7841–7849 7841–7849"},"PeriodicalIF":5.2,"publicationDate":"2025-04-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://pubs.acs.org/doi/epdf/10.1021/acs.energyfuels.5c00428","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143863295","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}