Energy & Fuels最新文献

{"title":"Triflic-Acid-Bound Poly(4-vinylpyridinium) System (PVP-TfOH): A Highly Sustainable Catalyst for Conversion of Glucose to 5-Hydroxymethylfurfural (HMF) in Aqueous Media","authors":"Preeti Kang,&nbsp; and ,&nbsp;Rakesh K. Sharma*,&nbsp;","doi":"10.1021/acs.energyfuels.4c0519710.1021/acs.energyfuels.4c05197","DOIUrl":"https://doi.org/10.1021/acs.energyfuels.4c05197https://doi.org/10.1021/acs.energyfuels.4c05197","url":null,"abstract":"<p >5-Hydroxymethylfurfural (HMF) is an important platform molecule that produces numerous industrially significant chemicals with diverse applications. Although the ecofriendly synthesis of HMF is important for a green and sustainable future, the available methods are cumbersome in terms of solvent and reaction conditions. In this prospect, we report a highly efficient PVP-TfOH catalyst for converting glucose to HMF with 81.5% yield (mol %) in an aqueous medium. The catalytic system showed outstanding performance and recyclability up to 10 test cycles owing to the unique intrinsic acidic framework created by the chemical interplay between the polymer and organic acid.</p>","PeriodicalId":35,"journal":{"name":"Energy & Fuels","volume":"38 24","pages":"23857–23863 23857–23863"},"PeriodicalIF":5.2,"publicationDate":"2024-11-28","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142843844","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":"Exploring the Potential of Solution-Processable AgBiS2 Quantum Dots as an Efficient Photoactive Material for Eco-Friendly Solar Cell Devices","authors":"Sajid Khan,&nbsp;Muhammad Zahir Iqbal*,&nbsp;Zeke Liu,&nbsp;H. H. Hegazy and A. A. Alahmari,&nbsp;","doi":"10.1021/acs.energyfuels.4c0479610.1021/acs.energyfuels.4c04796","DOIUrl":"https://doi.org/10.1021/acs.energyfuels.4c04796https://doi.org/10.1021/acs.energyfuels.4c04796","url":null,"abstract":"<p >Lead-free nanocrystals are highly demanding to be implanted in the fabrication of next-generation photovoltaic technologies. Among these, ternary quantum dots (QDs), such as silver bismuth sulfide (AgBiS₂), are promising eco-friendly, economical solar cell photoactive materials. Here, we demonstrate the facile synthesis of AgBiS₂ through the cation-exchange route and integrate it as a photoactive layer in the solar cell with the architecture glass/ITO/SnO₂/AgBiS₂/PTAA/MoO₃/Ag. The light-harvesting capability of these QDs is then investigated by recording the solar cell’s current–voltage (<i>J</i>–<i>V</i>) measurements. The device exhibited a power conversion efficiency of 7.2% in an open-air environment without encapsulation. To be commercially viable, the environmental impact on the long-term performance and reliability of the device under harsh conditions are evaluated. The device maintains its aging stability up to 82% and photostability up to 86% relative to that in its initial test. Further, the junction quality, interface states, and recombination of charge carrier species are examined through impedance spectroscopy analysis. This study determines AgBiS₂ QDs as a viable and non-toxic alternative to lead-based materials in photovoltaic applications, thus contributing to the advancement of sustainable solar technologies.</p>","PeriodicalId":35,"journal":{"name":"Energy & Fuels","volume":"38 24","pages":"23746–23753 23746–23753"},"PeriodicalIF":5.2,"publicationDate":"2024-11-27","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142843594","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":"Pore Expansion of N-Doped Carbon as Support of Pd Catalyst for Accelerated Formic Acid Dehydrogenation","authors":"Huiming Li,&nbsp;Junhuan Zhang,&nbsp;Yao Gui and Jianfa Li*,&nbsp;","doi":"10.1021/acs.energyfuels.4c0403810.1021/acs.energyfuels.4c04038","DOIUrl":"https://doi.org/10.1021/acs.energyfuels.4c04038https://doi.org/10.1021/acs.energyfuels.4c04038","url":null,"abstract":"<p >Formic acid offers a fascinating medium for hydrogen storage and transport, and Pd@carbon catalysts are the most common catalysts for catalyzing the release of hydrogen from formic acid (dehydrogenation). Biomass-derived carbon is advantageous over other supports in view of cost, sustainability, and easy modification. Nitrogen (N) doping of carbon can improve the activity of a carbon-supported Pd catalyst, but the concurrently deteriorated porosity of carbon inhibits it from reaching the full potential. Herein, the pores of N-doped wood-derived carbon were expanded by a novel alkali/air coactivation method so as to enhance further the activity of Pd@carbon catalyst for formic acid dehydrogenation. After investigation of the influence of N doping and coactivation conditions, the N-doped porous carbon (NPC) with developed porosity (SA_BET = 956 m²·g^–1, and SA_meso = 295 m²·g^–1) was produced at optimized conditions. The Pd@NPC catalyst with well-distributed ultrafine Pd nanoparticles (0.4–1.4 nm) was synthesized by taking advantage of both N doping and expanded pores (especially mesopores) of NPC. Subsequently, a turnover frequency of 446 h^–1 was obtained using this Pd@NPC catalyst for additive-free formic acid dehydrogenation at 303 K. Thus, formic acid dehydrogenation was accelerated by expanding the pores of N-doped biomass-derived carbon that acted as a support of Pd catalysts.</p>","PeriodicalId":35,"journal":{"name":"Energy & Fuels","volume":"38 24","pages":"23836–23846 23836–23846"},"PeriodicalIF":5.2,"publicationDate":"2024-11-27","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142843765","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":"Role of Microwaves in Green Hydrogen Production and Storage","authors":"Satoshi Horikoshi*,&nbsp; and ,&nbsp;Nick Serpone*,&nbsp;","doi":"10.1021/acs.energyfuels.4c0452210.1021/acs.energyfuels.4c04522","DOIUrl":"https://doi.org/10.1021/acs.energyfuels.4c04522https://doi.org/10.1021/acs.energyfuels.4c04522","url":null,"abstract":"<p >This concise review discusses the generation of hydrogen using microwaves and explores the necessity for storage, advantages, and challenges of hydrogen energy. It provides concrete examples to demonstrate how microwaves can address the obstacles to a hydrogen-based economy. The text delves into the challenges of hydrogen storage and suggests that a microwave microscopic high-temperature field can mitigate the challenges of liquid organic hydrides hydrogen carriers (LOH₂Cs). It also presents the principles underlying the microwave microscopic high-temperature field and showcases examples. The use of LOH₂Cs is shown to enable the generation of more than 85% hydrogen from seawater, model wastewaters containing polymers, model wastewaters containing pesticides, and the decomposition of organic matter. Furthermore, we discuss a case study of using microwave pyrolysis to decompose waste and sludge to recover hydrogen. By highlighting the potential of microwaves in driving the transition to a Hydrogen Economy, this brief review offers insights into achieving this goal.</p>","PeriodicalId":35,"journal":{"name":"Energy & Fuels","volume":"38 24","pages":"23281–23298 23281–23298"},"PeriodicalIF":5.2,"publicationDate":"2024-11-27","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142843935","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":"Measurement and Modeling of Viscous Oil and Tar Mat Formation with a Single, Low-maturity Charge","authors":"Oliver C. Mullins*,&nbsp;Tarek S. Mohamed,&nbsp;Morten Kristensen,&nbsp;Shu Pan,&nbsp;Kang Wang,&nbsp;I. Yucel Akkutlu and Carlos Torres-Verdin,&nbsp;","doi":"10.1021/acs.energyfuels.4c0440610.1021/acs.energyfuels.4c04406","DOIUrl":"https://doi.org/10.1021/acs.energyfuels.4c04406https://doi.org/10.1021/acs.energyfuels.4c04406","url":null,"abstract":"<p >Tar mats are common features in carbonate and sandstone petroleum reservoirs in many basins throughout the world and greatly reduce fluid flow through affected rock. They are comprised in part by a solid or very viscous carbonaceous organic phase deposited in the rock pore spaces and in fractures and frequently found at the bottom of the reservoirs at the oil–water contact (OWC). Tar mats can be thin or quite thick (e.g., 10 m thick) and can be patchy or laterally continuous across the entire OWC of a reservoir. Tar mats and possible associated viscous oil have a huge impact on pressure support and aquifer sweep during oil production. In spite of their importance, two key properties of tar mats have not been explained in the literature: (1) the mechanism of their formation and (2) why tar mats are at the base of the reservoir. In this article, these two questions are resolved; the predominant mechanisms of formation of a tar mat and viscous oil column is clarified for a large reservoir representative of a simple class of reservoirs; those with a single low maturity charge, and with no alteration processes such as biodegradation. Here, extensive chemical analysis of the tar and viscous oil is reviewed constraining possible explanations for the origin of the tar mat. The formation of the tar mat and viscous oil is demonstrated numerically using reservoir flow simulation (Eclipse) using 2D model simulations. First-principles fluid mechanics considerations support simulation models. The nanocolloidal characterization of asphaltenes in oil codified by the Yen–Mullins model is key to predicting viscous oil and tar mat distributions at the 100 km length scale. Boycott convection is responsible for transport of asphaltene gravity currents across reservoir length scales. In addition, the role of Boycott convection in inhibiting tar mat formation clarifies why tar mats are generally form only after the reservoir charge is complete, and thus found at or near the OWC. With the understanding and modeling of this “simple” process of viscous oil and tar mat formation, more complex processes such as those involving multiple, incompatible charges are now readily accessible to reservoir simulation and for forecasting production especially with water injection.</p>","PeriodicalId":35,"journal":{"name":"Energy & Fuels","volume":"38 24","pages":"23387–23397 23387–23397"},"PeriodicalIF":5.2,"publicationDate":"2024-11-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142850620","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":"Optimization of Gas Huff-n-Puff for Enhanced Oil Recovery in Shale Condensate Reservoirs in Jiyang Depressions, China","authors":"Xianchao Chen*,&nbsp;Pengyu Jiang,&nbsp;Taotao Lei,&nbsp;Hao Fan and Wei Yu,&nbsp;","doi":"10.1021/acs.energyfuels.4c0414910.1021/acs.energyfuels.4c04149","DOIUrl":"https://doi.org/10.1021/acs.energyfuels.4c04149https://doi.org/10.1021/acs.energyfuels.4c04149","url":null,"abstract":"<p >The shale condensate reservoirs hold vast reserves, suggesting significant development potential, yet low recovery remains a major industry obstacle. Based on a field case from the Jiyang depression, a method using gas cycling to improve the recovery rate of shale condensate gas reservoirs has been proposed. By integrating EDFM (embedded discrete fracture model) and nonequilibrium initialization technique, a model for shale condensate reservoir was established. The study conducted a comprehensive analysis of the impact of various pressure control strategies on production capacity, compared the effects of different gas injection medium and modes on enhancing recovery factor, and on this basis, optimized the CO₂ huff-<i>n</i>-puff parameters. The research results demonstrated that (1) from the perspective of choke management, it is most appropriate to control BHP drop rate at 200 kPa/month. (2) By comparing different injection medium and mode, the CO₂ huff-<i>n</i>-puff serves as the optimal gas injection design. (3) The optimal CO₂ injection scheme is as follows: injecting after the third year of depletion development, with a single injection volume of 360 × 10⁴ m³, a gas injection rate of 10 × 10⁴ m³/d, a soaking period of 10 days, 6 huff-<i>n</i>-puff cycles. After parameter optimization, the recovery rate increased by 17.63%. It comprehensively analyzes and optimizes the parameters of the gas injection scheme through numerical simulation methods, providing valuable guidance and reference for the development of gas injection techniques in shale condensate reservoirs.</p>","PeriodicalId":35,"journal":{"name":"Energy & Fuels","volume":"38 24","pages":"23466–23483 23466–23483"},"PeriodicalIF":5.2,"publicationDate":"2024-11-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142851004","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":"Carbon Nanotubes Decorated Bimetallic Metal–Organic Framework Nanocomposite for High-Performance Symmetric Supercapacitor Device and Their Charge Storage Mechanism","authors":"Mohammad Naved Khan,&nbsp;Fouzia Mashkoor,&nbsp;Mohd Shoeb*,&nbsp;Sang-Soo Baek* and Changyoon Jeong*,&nbsp;","doi":"10.1021/acs.energyfuels.4c0383110.1021/acs.energyfuels.4c03831","DOIUrl":"https://doi.org/10.1021/acs.energyfuels.4c03831https://doi.org/10.1021/acs.energyfuels.4c03831","url":null,"abstract":"<p >Metal–organic frameworks (MOFs) have garnered significant interest due to their diverse properties, indicating their potential as energy storage applications. Integrating carbon compounds can further enhance their electrochemical activity. In this study, we present a novel method for synthesizing bimetallic nickel- and yttrium-based metal–organic frameworks (NiY-MOFs) anchored with varying weight percentages of carbon nanotubes (CNTs): 5% CNT with NiY-MOF (C1@NiY-MOF), 10% CNT with NiY-MOF (C3@NiY-MOF), and 15% CNT with NiY-MOF (C5@NiY-MOF). The focus was on optimizing the CNT concentration in bimetallic NiY-MOF for high-performance supercapacitors. The optimal concentration of CNT in NiY-MOF was identified as 10% (C3@NiY-MOF), which was subsequently used to fabricate symmetric supercapacitor devices. The findings indicate that the C3@NiY-MOF (209.61 F/g) Y-MOF (245.03F/g), NiY-MOF (353.32 F/g), C1@NiY-MOF (570.61 F/g), and C5@NiY-MOF (713.26 F/g) all samples were measured at a current density 2 A/g. Additionally, the C3@NiY-MOF electrodes retained 89% of their capacitance after 10,000 cycles. The capacitive and diffusive contributions of the C3@NiY-MOF electrode were examined using regression parameters obtained from Dunn and Trasatti’s models. Moreover, practical applicability was illustrated by incorporating the optimized electrode C3@NiY-MOF onto carbon cloth and constructing a symmetric supercapacitor device with a poly(vinyl alcohol)-KOH gel serving as the electrolyte and electrode separator. The device demonstrated a specific capacitance of 297.82 F/g at a current density of 1 A/g and a maximum energy density of 57.90 Wh/kg at a power density of 500 W/kg.</p>","PeriodicalId":35,"journal":{"name":"Energy & Fuels","volume":"38 24","pages":"23776–23791 23776–23791"},"PeriodicalIF":5.2,"publicationDate":"2024-11-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142843741","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":"Magnetic Hydrophobic Cellulose Nanocomposites for Efficient Removal of Oil Spills and Organic Solvents","authors":"Alaleh Omidi,&nbsp;Fateme Firoozbakht,&nbsp;Hassan Zali Boeini* and Rajender S. Varma,&nbsp;","doi":"10.1021/acs.energyfuels.4c0423210.1021/acs.energyfuels.4c04232","DOIUrl":"https://doi.org/10.1021/acs.energyfuels.4c04232https://doi.org/10.1021/acs.energyfuels.4c04232","url":null,"abstract":"<p >Oil/chemical spill accidents and oily wastewater discharge from industry have been significant global environmental threats and have attracted a great deal of attention. Oil contaminants are commonly toxic, carcinogenic, teratogenic, and hazardous to human health and aquatic organisms. Therefore, the rapid adsorption of oil from water by an efficient adsorber has become a challenging issue. This paper reports oil superadsorbent hydrophobic (cellulose maleate derivatives (CMD)/Fe₃O₄@SiO₂) with cheap and accessible materials based on cellulose nanocrystals (CNC), whose hydrophobicity can be attributed to the cross-linker of divinylbenzene (DVB), which is attached to it after the modification of cellulose by maleic anhydride. Additionally, to improve the recovery of the adsorbent from the environment, the substrate was magnetized using iron nanoparticles. Easy synthesis and ultrafast adsorption time (3 s), high adsorption capacity for oil and organic solvents (200–253 mg/g), and maintaining an adsorption efficiency of more than 80% in 8 consecutive cycles make it a stable, amazing, and efficient adsorbent.</p>","PeriodicalId":35,"journal":{"name":"Energy & Fuels","volume":"38 24","pages":"23367–23376 23367–23376"},"PeriodicalIF":5.2,"publicationDate":"2024-11-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142850742","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":"Silica Gel─A Perspective Component to Increase Catalyst Activity in FCC Gasoline Hydrotreatment","authors":"Yuliya V. Vatutina*,&nbsp;Ksenia A. Nadeina,&nbsp;Irina G. Danilova,&nbsp;Anna A. Salomatina,&nbsp;Polina P. Mukhacheva,&nbsp;Pavel P. Dik,&nbsp;Tatyana V. Larina,&nbsp;Evgeny Yu Gerasimov,&nbsp;Igor P. Prosvirin,&nbsp;Elena A. Avdeenko,&nbsp;Oleg V. Klimov and Alexander S. Noskov,&nbsp;","doi":"10.1021/acs.energyfuels.4c0427010.1021/acs.energyfuels.4c04270","DOIUrl":"https://doi.org/10.1021/acs.energyfuels.4c04270https://doi.org/10.1021/acs.energyfuels.4c04270","url":null,"abstract":"<p >The study focuses on the effect of 1–70 wt % silica gel addition on the properties of CoMo/Al₂O₃ catalyst for fluid catalytic cracking gasoline hydrotreating. An increase in silica gel content results in an increase in the specific surface area and pore volume in the supports and catalysts. According to the IR spectroscopy of adsorbed CO and pyridine, the addition of any amounts of silica gel leads to the decrease in LAS concentration, while 30 wt % of silica gel leads to the formation of BAS typical for amorphous aluminosilicate. According to UV–vis spectroscopy and TPR-H₂, the dispersity of oxygen-containing compounds of active metals decreases when silica gel is added. The addition of 5–70 wt % of silica gel results in an increase in the average particle length of the active component from 2.1 to 2.2–2.7 nm and the stacking number from 1.8 to 1.9–2.2. Moreover, there is a correlation between Mo⁴⁺ content and catalyst’s HDS activity. The catalyst with 30 wt % of silica gel had the highest Mo⁴⁺ content and the highest HDS activity. The formation of BAS in the catalysts with 30–70 wt % of silica gel leads to improved activity in isomerization of alkanes and alkenes, aromatization (or cyclization) of alkanes and alkenes, and alkylation of aromatics, and increased octane number of products from 89 to 92–93 points.</p>","PeriodicalId":35,"journal":{"name":"Energy & Fuels","volume":"38 23","pages":"23068–23082 23068–23082"},"PeriodicalIF":5.2,"publicationDate":"2024-11-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142843664","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":"Molecular Reconstruction of Distillable Fractions of Hydrothermal Liquefaction Biocrude from Forest Biomass","authors":"Anton Alvarez-Majmutov*,&nbsp;Rafal Gieleciak and Jinwen Chen,&nbsp;","doi":"10.1021/acs.energyfuels.4c0416910.1021/acs.energyfuels.4c04169","DOIUrl":"https://doi.org/10.1021/acs.energyfuels.4c04169https://doi.org/10.1021/acs.energyfuels.4c04169","url":null,"abstract":"<p >In this study, a theoretical methodology was developed for reconstructing the molecular composition of biocrudes based on a series of analytical property measurements with the purpose of facilitating detailed modeling of their reaction chemistry when they are processed into biofuels. The key characteristic of this methodology was treating biocrude molecules as a collection of recurring structural features (e.g., alkyl chains, aromatic rings, oxygen functional groups, etc.) that were assumed to be distributed in a statistical-like fashion. Biocrude molecules were systematically assembled following a building sequence where each structural feature was specified by means of Monte Carlo sampling of a designated statistical distribution function. The mixture of biocrude molecules was optimized by means of simulated annealing and entropy maximization so that it could match the analytical properties of the target sample. The molecular reconstruction model was put to the test with the light (&lt;343 °C) and middle (343–460 °C) distillation fractions of a biocrude produced by hydrothermal liquefaction of forest biomass. The simulated mixtures, consisting of 1000 molecules each, matched reasonably well the actual fractions of the biocrude in density, elemental composition, boiling point distribution, and total carbonyl content, as well as in structural information obtained by nuclear magnetic resonance spectroscopy. The model’s accuracy was better with the light fraction of the biocrude than it was with the more complex middle fraction. It was possible to extract insightful information about the chemical characteristics of the biocrude fractions from the simulations, such as the overall molecular weight distribution and the distributions of structural classes and oxygen functional groups.</p>","PeriodicalId":35,"journal":{"name":"Energy & Fuels","volume":"38 24","pages":"23549–23559 23549–23559"},"PeriodicalIF":5.2,"publicationDate":"2024-11-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://pubs.acs.org/doi/epdf/10.1021/acs.energyfuels.4c04169","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142850944","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}