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Maximizing biomass utilization: An integrated strategy for coproducing multiple chemicals

Journal of Energy Chemistry 2025年第1期100卷 180-191页

作者： Byeongchan Ahn Sua Jo Jonggeol Na J.Jay Liu Young-Ju Kim Wangyun Won department of Chemical and Biological Engineering Korea University department of Chemical Engineering (Integrated process) Kyung Hee University department of Chemical Engineering and Materials Science Ewha Womans University department of Chemical Engineering Pukyong National University Resources Engineering Plant Research department Korea Institute of Geoscience and Mineral Resources

Lignocellulosic biomass is one of the viable solutions to alleviate the global warming. However, the limited utilization of biomass majorly focused on cellulose and hemicellulose restricts the economic and environmental feasibilities. To cope with this issue, we proposed an integrated process of co-producing 1,6-hexanediol（1,6-HDO） with tetrahydrofuran and adipic acid from biomass, referred to as Strategy A. To compare the impacts of lignin upgrading and feedstock, Strategy B, which co-produces tetrahydrofuran alone, and Strategy C, which is the traditional route to produce 1,6-HDO from fossil fuels, were used. Heat networks are also designed to reduce operating costs and indirect carbon emissions due to energy consumption, saving 87% and 83% of the heat and cooling requirements, respectively, in Strategy A. The market competitiveness of Strategy A was evaluated by determining the minimum selling price through techno-economic analysis, and sustainability was thoroughly investigated by quantifying the environmental impacts through both midpoint and endpoint life-cycle assessments（LCAs）.Strategy A was found to be the most favorable both economically（USRDSCHARDOLLAR3,402/ton） and environmentally（-26.9 kg CO2eq.）. This indicates that lignin valorization is not only economically but also environmentally preferred. Finally, changes in economic and environmental feasibilities depending on economic, process, and environmental parameters were investigated using sensitivity and uncertainty analyses. The results of these analyses provide valuable insight into bio-based chemical production.

关键词： Biorefinery Carbon mitigation Climate change Global warming Lignin utilization Bioeconomy

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Status and prospects for symmetric organic redox flow batteries

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Journal of Energy Chemistry 2025年第1期100卷 125-143页

作者： Md Al Raihan C.Adam Dyker department of Chemistry University of New Brunswick

As environmental concerns from fossil fuel consumption intensify, large-scale energy storage becomes imperative for the integration of renewable sources like wind, hydro, and solar with the electrical *** flow batteries, particularly those employing organic molecules, are positioned as a key technology for this purpose. This review explores the growing field of symmetric organic redox flow batteries(ORFBs) within this context. Unlike traditional asymmetric designs based on unique active materials for each electrode, symmetric ORFBs involve a single bipolar species for both electrodes. This review highlights the benefits of a symmetric design, and categorizes five distinct classes of organic bipolar molecules used in both aqueous and non-aqueous solvents. By providing a comprehensive overview of their cell cycling and performance characteristics, the strengths and weaknesses of the diverse categories of bipolar molecules are highlighted for both solvent systems, as are opportunities for future development. This should guide new research directions and advance the development of practical symmetric ORFBs.

关键词： Redox flow battery Symmetric battery Organic battery Aqueous electrolyte Non-aqueous electrolyte

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Few-shot learning for screening 2D Ga2CoS4-x supported single-atom catalysts for hydrogen production

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Journal of Energy Chemistry 2025年第1期100卷 665-673页

作者： Nabil Khossossi Poulumi Dey department of Mechanical Engineering (ME) Delft University of Technology

Hydrogen generation and related energy applications heavily rely on the hydrogen evolution reaction（HER）,which faces challenges of slow kinetics and high *** electrocatalysts,particularly single-atom catalysts （SACs） on two-dimensional （2D） materials,are *** study presents a few-shot machine learning （ML） assisted high-throughput screening of 2D septuple-atomic-layer Ga2CoS4-xsupported SACs to predict HER catalytic ***,density functional theory （DFT）calculations showed that 2D Ga2CoS4is inactive for ***,defective Ga2CoS4-x（x=0–0.25）monolayers exhibit excellent HER activity due to surface sulfur vacancies （SVs）,with predicted overpotentials （0–60 mV） comparable to or lower than commercial Pt/C,which typically exhibits an overpotential of around 50 m V in the acidic electrolyte,when the concentration of surface SV is lower than 8.3%.SVs generate spin-polarized states near the Fermi level,making them effective HER *** demonstrate ML-accelerated HER overpotential predictions for all transition metal SACs on 2D *** DFT data from 18 SACs,an ML model with high prediction accuracy and reduced computation time was *** intrinsic descriptor linking SAC atomic properties to HER overpotential was *** study thus provides a framework for screening SACs on 2D materials,enhancing catalyst design.

关键词： Hydrogen production Electrocatalyst 2D material Density functional theory Machine learning Surface sulfur vacancy

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A Synergistic Multi-Attribute Decision-Making Method for Educational Institutions Evaluation Using Similarity Measures of Possibility Pythagorean Fuzzy Hypersoft Sets

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Computer Modeling in Engineering & Sciences 2025年第1期142卷 501-530页

作者： Khuram Ali Khan Saba Mubeen Ishfaq Atiqe Ur Rahman Salwa El-Morsy department of Mathematics University of SargodhaSargodha40100Pakistan department of Mathematics University of Management and TechnologyLahore54000Pakistan department of Mathematics College of ScienceQassim UniversityBuraydah51452Saudi Arabia

Due to the numerous variables to take into account as well as the inherent ambiguity and uncertainty,evaluating educational institutions can be *** concept of a possibility Pythagorean fuzzy hypersoft set(pPyFHSS)is more flexible in this regard than other theoretical fuzzy set-like models,even though some attempts have been made in the literature to address such *** study investigates the elementary notions of pPyFHSS including its set-theoretic operations union,intersection,complement,OR-and *** results related to these operations are also modified for ***,the similarity measures between pPyFHSSs are formulated with the assistance of numerical examples and ***,an intelligent decision-assisted mechanism is developed with the proposal of a robust algorithm based on similarity measures for solving multi-attribute decision-making(MADM)problems.A case study that helps the decision-makers assess the best educational institution is discussed to validate the suggested *** algorithmic results are compared with the most pertinent model to evaluate the adaptability of pPyFHSS,as it generalizes the classical possibility fuzzy set-like theoretical ***,while considering significant evaluating factors,the flexibility of pPyFHSS is observed through structural comparison.

关键词： Hypersoft set Pythagorean fuzzy hypersoft set computational complexity multi-attribute decision-making optimization similarity measures uncertainty

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A novel solution treatment and aging for powder bed fusion-laser beam Ti-6Al-2Sn-4Zr-6Mo alloy:Microstructural and mechanical characterization

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International Journal of Minerals,Metallurgy and Materials 2025年第2期32卷 414-424页

作者： Gianluca Pirro Alessandra Martucci Alessandro Morri Mariangela Lombardi Lorella Ceschini department of Industrial Engineering(DIN) Alma Mater Studiorum-University of BolognaBologna 40136Italy department of Applied Science and Technology(DISAT) Politecnico di TorinoTorino TO 10129Italy

Ti-6Al-4Zr-2Sn-6Mo alloy is one of the most recent titanium alloys processed using powder bed fusion-laser beam(PBF-LB)*** alloy has the potential to replace Ti-6Al-4V in automotive and aerospace applications,given its superior mechanical properties,which are approximately 10%higher in terms of ultimate tensile strength(UTS)and yield strength after appropriate heat *** as-built conditions,the alloy is characterized by the presence of soft orthorhombicα″martensite,necessitating a postprocessing heat treatment to decompose this phase and enhance the mechanical properties of the ***,PBFed Ti6246 components undergo an annealing process that transforms theα″martensite into anα-βlamellar *** primary objective of this research was to develop a solution treatment and aging(STA)heat treatment tailored to the unique microstructure produced by the additive manufacturing process to achieve an ultrafine bilamellar microstructure reinforced by precipitation *** study investigated the effects of various solution temperatures in theα-βfield(ranging from 800 to 875℃),cooling media(air and water),and aging time to determine the optimal heat treatment parameters for achieving the desired bilamellar *** each heat treatment condition,differentα-βmicrostructures were found,varying in terms of theα/βratio and the size of the primaryα-phase *** attention was given to how these factors were influenced by increases in solution temperature and how microhardness correlated with the percentage of the metastableβphase present after *** tests were performed on samples subjected to the most promising heat treatment parameters.A comparison with literature data revealed that the optimized STA treatment enhanced hardness and UTS by13%and 23%,respectively,compared with those of the annealed *** surface analyses were conducted to investigate fracture mechanisms.

关键词： powder bed fusion-laser beam titanium alloys heat treatments mechanical properties fractographic analysis

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Ru/NiMnB spherical cluster pillar for highly proficient green hydrogen electrocatalyst at high current density

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Journal of Energy Chemistry 2025年第1期100卷 397-408页

作者： Md Ahasan Habib Shusen Lin Mehedi Hasan Joni Sumiya Akter Dristy Rutuja Mandavkar Jae-Hun Jeong Jihoon Lee department of Electronic Engineering College of Electronics and Information Kwangwoon University

Advanced OER/HER electrocatalytic alternatives are crucial for the wide adaptation of green hydrogen ***,Ru/NiMnB spherical cluster pillar （SCP）,denoted as Ru/NiMnB,is synthesized using a combination of electro-deposition and hydrothermal *** investigation of Ru doping in the NiMnB matrix revealed significant improvements in electrocatalytic *** Ru/NiMnB SCPs demonstrate superior OER/HER activity with low overpotentials of 150 and 103 mV at 50mA/cm2in 1 M KOH,making them highly competitive with state-of-the-art ***,the Ru/NiMnB SCPs exhibit a low 2-E cell voltage of 2.80 V at ultra-high current density of 2,000 m A/cm2in 1 M KOH,outperforming the standard benchmark electrodes of RuO2||Pt/C,thereby positioning Ru/NiMnB as one of the best bifunctional *** SCPs exhibit exceptional high-current characteristics,stability and corrosion resistance,as evidenced by continuous operation at 1,000 mA/cm2high-current density for over 150 h in 6 M KOH at elevated temperatures under harsh industrial *** a small amount of Ru incorporation significantly enhances the electrocatalytic performances of NiMnB,attributed to increased active sites and improved intrinsic properties such as conductivity,adsorption/desorption capability and reaction ***,Ru/NiMnB SCPs present a promising bi-functional electrode concept for efficient green H2production.

关键词： Advanced electrocatalyst High current Corrosion resistance Industrial requirement

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A New Encryption Mechanism Supporting the Update of Encrypted Data for Secure and Efficient Collaboration in the Cloud Environment

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Computer Modeling in Engineering & Sciences 2025年第1期142卷 813-834页

作者： Chanhyeong Cho Byeori Kim Haehyun Cho Taek-Young Youn department of Cyber Security Dankook UniversityYongin16890Republic of Korea department of Software Soongsil UniversitySeoul07027Republic of Korea

With the rise of remote collaboration,the demand for advanced storage and collaboration tools has rapidly ***,traditional collaboration tools primarily rely on access control,leaving data stored on cloud servers vulnerable due to insufficient *** paper introduces a novel mechanism that encrypts data in‘bundle’units,designed to meet the dual requirements of efficiency and security for frequently updated collaborative *** bundle includes updated information,allowing only the updated portions to be reencrypted when changes *** encryption method proposed in this paper addresses the inefficiencies of traditional encryption modes,such as Cipher Block Chaining(CBC)and Counter(CTR),which require decrypting and re-encrypting the entire dataset whenever updates *** proposed method leverages update-specific information embedded within data bundles and metadata that maps the relationship between these bundles and the plaintext *** utilizing this information,the method accurately identifies the modified portions and applies algorithms to selectively re-encrypt only those *** approach significantly enhances the efficiency of data updates while maintaining high performance,particularly in large-scale data *** validate this approach,we conducted experiments measuring execution time as both the size of the modified data and the total dataset size *** show that the proposed method significantly outperforms CBC and CTR modes in execution speed,with greater performance gains as data size ***,our security evaluation confirms that this method provides robust protection against both passive and active attacks.

关键词： Cloud collaboration mode of operation data update efficiency

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Artificial Circulation System Algorithm:A Novel Bio-Inspired Algorithm

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Computer Modeling in Engineering & Sciences 2025年第1期142卷 635-663页

作者： NerminÖzcan Semih Utku Tolga Berber department of Biomedical Technologies Dokuz Eylül UniversityIzmir35390Turkey department of Biomedical Engineering Iskenderun Technical UniversityIskenderun31200Turkey department of Computer Engineering Dokuz Eylül UniversityIzmir35390Turkey department of Statistics and Computer Sciences Karadeniz Technical UniversityTrabzon61080Turkey

Metaheuristics are commonly used in various fields,including real-life problem-solving and engineering appli*** present work introduces a novel metaheuristic algorithm named the Artificial Circulatory System Algorithm(ACSA).The control of the circulatory system inspires it and mimics the behavior of hormonal and neural regulators involved in this *** work initially evaluates the effectiveness of the suggested approach on 16 two-dimensional test functions,identified as classical benchmark *** method was subsequently examined by application to 12 CEC 2022 benchmark problems of different ***,the paper evaluates ACSA in comparison to 64 metaheuristic methods that are derived from different approaches,including evolutionary,human,physics,and ***,a sequence of statistical tests was undertaken to examine the superiority of the suggested algorithm in comparison to the 7 most widely used algorithms in the existing *** results show that the ACSA strategy can quickly reach the global optimum,avoid getting trapped in local optima,and effectively maintain a balance between exploration and *** outperformed 42 algorithms statistically,according to post-hoc *** also outperformed 9 algorithms *** study concludes that ACSA offers competitive solutions in comparison to popüler methods.

关键词： Bio-inspired evolutionary heuristic metaheuristic optimization

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Dynamic Multi-Graph Spatio-Temporal Graph Traffic Flow Prediction in Bangkok:An Application of a Continuous Convolutional Neural Network

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Computer Modeling in Engineering & Sciences 2025年第1期142卷 579-607页

作者： Pongsakon Promsawat Weerapan Sae-dan Marisa Kaewsuwan Weerawat Sudsutad Aphirak Aphithana department of Civil Engineering Faculty of EngineeringRamkhamkaeng UniversityBangkok10240Thailand department of Computer Engineering Faculty of EngineeringRamkhamkaeng UniversityBangkok10240Thailand department of Statistics Faculty of ScienceRamkhamkaeng UniversityBangkok10240Thailand

The ability to accurately predict urban traffic flows is crucial for optimising city ***,various methods for forecasting urban traffic have been developed,focusing on analysing historical data to understand complex mobility *** learning techniques,such as graph neural networks(GNNs),are popular for their ability to capture spatio-temporal ***,these models often become overly complex due to the large number of hyper-parameters *** this study,we introduce Dynamic Multi-Graph Spatial-Temporal Graph Neural Ordinary Differential Equation Networks(DMST-GNODE),a framework based on ordinary differential equations(ODEs)that autonomously discovers effective spatial-temporal graph neural network(STGNN)architectures for traffic prediction *** comparative analysis of DMST-GNODE and baseline models indicates that DMST-GNODE model demonstrates superior performance across multiple datasets,consistently achieving the lowest Root Mean Square Error(RMSE)and Mean Absolute Error(MAE)values,alongside the highest *** the BKK(Bangkok)dataset,it outperformed other models with an RMSE of 3.3165 and an accuracy of 0.9367 for a 20-min interval,maintaining this trend across 40 and 60 ***,on the PeMS08 dataset,DMST-GNODE achieved the best performance with an RMSE of 19.4863 and an accuracy of 0.9377 at 20 min,demonstrating its effectiveness over longer *** Los_Loop dataset results further emphasise this model’s advantage,with an RMSE of 3.3422 and an accuracy of 0.7643 at 20 min,consistently maintaining superiority across all time *** numerical highlights indicate that DMST-GNODE not only outperforms baseline models but also achieves higher accuracy and lower errors across different time intervals and datasets.

关键词： Graph neural networks convolutional neural network deep learning dynamic multi-graph spatio-temporal

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Transport mechanism in chemically reactive hybrid nanofluid flow containing gyrotactic micro-organisms over a curved oscillatory surface

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Applied Mathematics and Mechanics(English Edition) 2025年第1期46卷 177-192页

作者： M.NAVEED M.IMRAN T.ASGHAR Z.ABBAS department of Mathematics Division of Science and TechnologyUniversity of Education department of Mathematics The Islamia University of Bahawalpur

This paper examines the transport analysis, including both heat transfer and mass transfer, in hybrid nanofluid flow containing gyrotactic microorganisms towards a curved oscillatory surface. The influence of magnetic fields is also inspected in terms of their physical characteristics. To depict the phenomena of transport, modified versions of both Fick's and Fourier's laws are used. Additionally, the characteristics of both heterogeneous and homogeneous chemical reactions are also incorporated. Utilizing a curvilinear coordinate system, the flow problem is formulated as partial differential equations(PDEs)for momentum, concentration, microorganism field, and energy. An analytical solution to the obtained flow equations is achieved utilizing the homotopy analysis method(HAM).The effects of significant flow parameters on the pressure and microorganism fields, velocity, oscillation velocity, concentration, and temperature distributions are shown via graphs. Furthermore, the variations in skin friction, mass transfer rate, heat transfer rate, and local motile number due to different involved parameters are presented in tables and are analyzed in detail. Graphical results indicate that the curves of velocity and temperature fields are enhanced as the values of the solid volume fraction variables *** is also verified that the concentration rate field decreases as the values of the homogeneous reaction strength parameter and the radius of curvature parameter increase, and it increases with the Schmidt number and the heterogeneous reaction strength *** outcomes show a favorable response of the motile number to advanced values of the Peclet number, the Schmidt number, the microorganism difference parameter, and the bio-convective Lewis number.

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