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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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Efficient photocatalytic reduction of CO2 to formate by a molecular noble metal-free system

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Science China Chemistry 2025年第1期 152-156页

作者： Lihua Zhang Lingjing Chen Huatian Shi Yue Wei Gui Chen Tai-Chu Lau School of environment and Civil engineering Research Center for Eco-environmental Engineering Dongguan University of Technology department of Chemistry and Institute of Molecular Functional Materials City University of Hong Kong

Reducing CO2to carbon-neutral solar fuels can not only alleviate the energy demand but also mitigate the greenhouse *** present,developing an efficient non-noble metal photo/electrocatalytic system for converting CO2to a specific product beyond CO is still a big ***,we report a new cobalt complex bearing 2,2′-bi-1,10-phenanthroline ligand that can photocatalytically reduce CO2to formate （HCOO-）.Turnover number （TON） for HCOO-up to 677 with 99%selectivity can be achieved using organic dyes purpurin as photosensitizer and 1,3-dimethyl-2-phenyl-2,3-dihydro-1H-benzo[d]imidazole （BIH） as sacrificial reductant in a CO2-saturated NMP/TEA （v/v,3:1） solution under visible light *** potential electrolysis at-1.41 V （***/Ag Cl） in the presence of 12 m M Et3NHBF4also produced HCOO-with Faradaic efficiency of 39%.Spectroscopic and electrochemical studies suggest that a[CoI-H]species is the key intermediate for CO2reduction.

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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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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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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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Data-Driven Healthcare:The Role of Computational Methods in Medical Innovation

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Computer Modeling in engineering & Sciences 2025年第1期142卷 1-48页

作者： Hariharasakthisudhan Ponnarengan Sivakumar Rajendran Vikas Khalkar Gunapriya Devarajan Logesh Kamaraj department of Mechanical engineering Dr.Mahalingam College of Engineering and TechnologyPollachiCoimbatoreTamil Nadu642003India department of Mechanical engineering JKKN College of Engineering and TechnologyKumarapalayamNamakkalTamil Nadu637209India department of Mechanical engineering Gharda Institute of TechnologyLavelMaharashtra415708India department of Electrical and Electronics engineering Sri Eshwar College of EngineeringCoimbatoreTamilnadu641202India department of Mechanical engineering Vel Tech Rangarajan Dr.Sagunthala R&D Institute of Science and TechnologyChennai600062India

The purpose of this review is to explore the intersection of computational engineering and biomedical science,highlighting the transformative potential this convergence holds for innovation in healthcare and medical *** review covers key topics such as computational modelling,bioinformatics,machine learning in medical diagnostics,and the integration of wearable technology for real-time health *** findings indicate that computational models have significantly enhanced the understanding of complex biological systems,while machine learning algorithms have improved the accuracy of disease prediction and *** synergy between bioinformatics and computational techniques has led to breakthroughs in personalized medicine,enabling more precise treatment ***,the integration of wearable devices with advanced computational methods has opened new avenues for continuous health monitoring and early disease *** review emphasizes the need for interdisciplinary collaboration to further advance this *** research should focus on developing more robust and scalable computational models,enhancing data integration techniques,and addressing ethical considerations related to data privacy and *** fostering innovation at the intersection of these disciplines,the potential to revolutionize healthcare delivery and outcomes becomes increasingly attainable.

关键词： Computational models biomedical engineering bioinformatics machine learning wearable technology

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A limit equilibrium fracture zone model to investigate seismicity in coal mines

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International Journal of Mining Science and Technology 2018年第5期28卷 745-753页

作者： Daniel Malan John Napier department of Mining engineering Faculty of Engineering Built Environment and IT University of Pretoria

This paper explores possible synergies between techniques used to minimise seismicity in deep South African gold mines and their applicability to control coal bumps. The paper gives a summary of the techniques used in the deep gold mines and a critical appraisal if these are useful in coal mines. The techniques typically include control of mining rate, preconditioning, optimisation of extraction sequences and centralised blasting. Of particular interest to the coal bump problem is an experimental limit equilibrium fracture zone model implemented in a displacement discontinuity code. This was recently developed for the gold mines to enable the interactive analysis of complex tabular mine layout extraction sequences. The model specifically accommodates energy dissipation computations in the developing fracture zone near the edges of these excavations. This allows the released energy to be used as a surrogate measure of ongoing seismic activity and addresses a number of the weaknesses in the traditional usage of this quantity as a criterion for the design of seismically active layouts. This paper investigates the application of the model to a hypothetical coal longwall layout and the specific problem of coal bumps.

关键词： Coal bumps Limit equilibrium model Mining rate Seismicity

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Dynamic stress concentration in an infinitely long cylindrical cavity due to a point spherical source embedded within a fluid-saturated poroelastic formation of infinite extent

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Applied Mathematics and Mechanics(English Edition) 2025年第1期46卷 139-156页

作者： H.HOSSEINI O.BALILASHAKI department of Mechanical engineering Faculty of EngineeringGolestan University

The effects of a harmonically exciting monopole source on an infinitely long cylindrical cavity embedded entirely within a fluid-saturated poroelastic formation of infinite extent are examined theoretically. It is assumed that the source is located outside the cavity at a specified distance from the borehole axis. The magnitudes of the hoop and radial stresses beside the pore pressures exerted on the interface and inside the porous medium surrounding the borehole are calculated and discussed. Biot's poroelastic modeling along with three types of boundary conditions for the cylindrical interface including the ideal fluid, empty borehole, and rigid inclusion with a hard boundary is employed for the analysis. Utilizing a proper translational addition theorem for expressing the incident spherical wave in terms of cylindrical wave expansions, the proposed boundary conditions at the interface are satisfied. Stresses are formulated by means of wave potential functions in a three-dimensional(3D) manner. The effects of the frequency and the radial distance between the source and borehole on the induced stresses are examined for the first cylindrical modes over frequency spectra. Two permeability conditions for the interface and three types of soils for the porous formation are considered throughout the analysis. To give an overall outline of the study, a numerical example is presented. The results clearly indicate that the distance is a key parameter and has considerable effects on the induced stress values. In addition, the interface permeability condition and soil characteristics play an important role in determining the dynamic response of the borehole. Finally,the obtained results are compared with the relevant analyses existing in the literature for some limit cases, and good agreement is achieved.

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Secondary instability of separated shear layers

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Chinese Journal of Aeronautics 2019年第1期32卷 37-44页

作者： Zhiyin YANG department of Mechanical engineering and the built environment College of Engineering and TechnologyUniversity of Derby

The process through which a laminar flow undergoes transition to turbulence is of great fundamental and practical interest. Such a process is hugely complex as there are many diverse routes for a laminar flow to become turbulent flow. The transition process is usually initiated by flow instabilities—a primary instability stage followed by a secondary instability stage. This forms a rational framework for the early stage of a transition process and it is crucially important to understand the physics of instabilities leading to turbulence. This article reviews the results of studies on secondary instability of separated shear layers in separation bubbles and summaries the current status of our understanding in this area.

关键词： Primary instability Secondary instability Separated shear layers Separation bubbles Transition

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Wear behavior of copper-containing ferritic iron under a dry sliding condition

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Journal of Zhejiang University-Science A(Applied Physics & engineering) 2013年第12期14卷 906-914页

作者： Junaidi SYARIF Agung ISWADI Mariyam Jameelah GHAZALI Zainuddin SAJURI Mohd Zaidi OMAR department of Mechanical and Materials engineering Faculty of Engineering and Built Environment Universiti Kebangsaan Malaysia

The effect of solute Cu and Cu precipitates on the wear behavior of ferritic iron under an unlubricated condition was *** specific wear rate of Cu-containing steel abruptly decreased up to 50 N of load,and then gradually decreased with further increased *** specific wear rate of the as-quenched specimen,in which Cu was in a solid solution,was the lowest among all the specimens at low loads,and all specimens had almost the same specific wear rate at high *** observation showed that the hardness increments of all specimens decreased with increased depth below the worn *** as-quenched specimen had a relatively large depth of deformed region than the other specimens even though the increments in hardness were almost the same for all specimens at low *** the same hardness at an unworn state,the as-quenched and over-aged specimens exhibited a substantial increase in hardness and large deformed regions below the worn *** finding indicated that the enhancement in plastic deformation and work hardening led to the decrease in the specific wear rate of the as-quenched specimen at low loads and the improvement in the wear resistance of all specimens at high loads.

关键词： Steel Hardness Sliding wear Work hardening Plastic deformation

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