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One-step conversion of methane and formaldehyde to ethanol over SA-FLP dual-active-site catalysts: A DFT study

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Chinese Chemical Letters 2024年第4期35卷 544-548页

作者： Tao Ban Xi-yang Yu hai-Kuo Tian Zheng-qing Huang Chun-Ran Chang Shaanxi Key Laboratory of Energy Chemical Process Intensification School of Chemical Engineering and TechnologyXi'an Jiaotong UniversityXi'an 710049China Shaanxi Key Laboratory of Low Metamorphic Coal Clean Utilization School of Chemistry and Chemical EngineeringYulin UniversityYulin 719000China

One-step conversion of methane and formaldehyde into ethanol is a 100% atom-efficient process for carbon resources utilization and environment protection but still faces eminent challenges due to the lacking of efficient catalysts. Therefore, developing active and stable catalysts is crucial for the co-conversion of methane and formaldehyde. Herein, twelve kinds of “Single-Atom”-“Frustrated Lewis Pair”(SA-FLP)dual-active-site catalysts are designed for the direct conversion of methane and formaldehyde to ethanol based on density functional theory(DFT) calculations and microkinetic simulations. The results show that the SA-FLP dual active sites can simultaneously activate methane at the SA site and activate formaldehyde at the FLP site. Among the twelve designed SA-FLP catalysts, Fe1-FLP shows the best performance in the co-conversion of methane and formaldehyde to ethanol with the rate-determining barrier of 1.15 e *** is proved as the main product with the turnover frequency of 1.32 × 10^(-4)s^(-1)at 573 K and 3 *** work provides a universal strategy to design dual active sites on metal oxide materials and offers new insights into the effective conversion of methane and formaldehyde to desired C_(2) chemicals.

关键词： Single-atom Frustrated Lewis pairs Methane conversion Dual active sites Ethanol synthesis

Cascade electrolysis and thermocatalysis: a reliable system for upgrading C1 to C4 hydrocarbons

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Rare Metals 2024年第1期43卷 410-412页

作者： Chao-Yue Sun Wen Li hai-qing Wang Institute for Advanced Interdisciplinary Research(iAIR) College of Chemistry and Chemical EngineeringUniversity of JinanJinan 250022China

The carbon cycle is important for maintaining a stable climate and carbon balance on Earth. Renewable-electricitydriven upcycling of carbon dioxide (CO_(2)) into value-added multi-carbon molecules is a potentially sus... 详细信息

关键词： cycling hydrocarbons enable

Isogeometric Analysis for the Arbitrary AFG Microbeam with Two-Phase Nonlocal Stress-Driven Model

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Acta Mechanica Solida Sinica 2024年第2期37卷 341-360页

作者： Pei-Liang Bian Zhaowei Liu hai qing Tiantang Yu Department of Engineering Mechanics Hohai UniversityNanjing211100China State Key Laboratory of Mechanics and Control of Mechanical Structures Nanjing University of Aeronautics and AstronauticsNanjing210016China

Scale effects play critical roles in the mechanical responses of *** isogeometric analysis was developed here to investigate the mechanical responses of an axially functionally graded *** Euler–Bernoulli beam model was utilized,and size effects in the structure were modeled with a stress-driven two-phase local/nonlocal integral *** governing equation of microstructures was given in an equivalent differential form with two additional constitutive boundary *** framework was verified and utilized to analyze the microbeam’s static and dynamic mechanical *** present work showed great potential for modeling various types of functionally graded microstructures.

关键词： Isogeometric analysis Size effect Functionally graded material Nonlocal theory Euler-Bernoulli beam

Spatial construction of ultrasmall Pt-decorated 3D spinel oxidemodified N-doped graphene nanoarchitectures as high-efficiency methanol oxidation electrocatalysts

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Rare Metals 2024年第1期43卷 186-197页

作者： Qi Zhang Min-Min Yan Wen-Fa Du Chen-Yu Yin Jian Zhang Lu yang Yun-qing Kang hai-Yan He Hua-Jie Huang College of Mechanics and Materials Hohai UniversityNanjing 210098China New Energy Technology Engineering Lab of Jiangsu Province College of ScienceNanjing University of Posts&Telecommunications(NUPT)Nanjing 210023China International Center for Materials Nanoarchitectonics(WPIMANA) National Institute for Materials ScienceTsukuba 305-0044IbarakiJapan

Direct methanol fuel cell technology recently becomes the focus of both academic and engineering circles,which stimulates the exploitation and utilization of advanced electrode catalysts with high activity and long ***,we demonstrate a robust bottom-up approach to the spatial construction of three-dimensional(3D) spinel manganese-cobalt oxide-modified N-doped graphene nanoarchitectures decorated with ultrasmall Pt nanoparticles(Pt/MnCo_(2)O_(4)-NG) via a controllable selfassembly *** incorporation of MnCo_(2)O_(4)nanocrystals provides abundant hydroxyl sources to promote the oxidative removal of CO-like byproducts on Pt sites,while the existence of 3D porous N-doped graphene networks facilitates the transportation of both ions and electrons in the hybrid system,thus giving rise to remarkable synergetic coupling effects during the methanol oxidation ***,the optimized Pt/MnCo_(2)O_(4)-NG nano architecture expres ses exceptional electrocatalytic properties with a large electrochemically active surface area of 99.5 m^(2)·g^(-1),a high mass activity of1508.3 mA·mg^(-1),strong toxicity resistance and reliable long-term durability,which have obvious competitive advantages over those of conventional Pt/carbon black,Pt/carbon nano tube,Pt/graphene,and Pt/N-doped graphene catalysts with the same Pt usage.

关键词： Platinum MnCo_(2)O_(4) 3D graphene Electrocatalysts Methanol oxidation

Enhanced detection of freeze‒thaw induced landslides in Zhidoi county(Tibetan Plateau,China)with Google Earth Engine and image fusion

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Advances in Climate Change Research 2024年第3期15卷 476-489页

作者： Jia-Hui yang Yan-Chen GAO Lang JIA Wen-Juan WANG qing-Bai WU Francis ZVOMUYA Miles DYCK hai-Long HE College of Natural Resources and Environment Northwest A&F UniversityYangling 712100China State Key Laboratory of Frozen Soil Engineering Northwest Institute of Eco-Environment and ResourcesChinese Academy of SciencesLanzhou 730000China Department of Soil Science University of Manitob1Winnipeg MB R3T 2N2Canada Department of Renewable Resources University of Albert1Edmonton AB T6G 2H1Canad

Freeze‒thaw induced landslides(FTILs)in grasslands on the Tibetan Plateau are a geological disaster leading to soil *** landslides reduce biodiversity and intensify landscape fragmentation,which in turn are strengthen by the persistent climate change and increased anthropogenic ***,conventional techniques for mapping FTILs on a regional scale are impractical due to their labor-intensive,costly,and time-consuming *** study focuses on improving FTILs detection by implementing image fusion-based Google Earth Engine(GEE)and a random forest *** of multiple data sources,including texture features,index features,spectral features,slope,and vertical‒vertical polarization data,allow automatic detection of the spatial distribution characteristics of FTILs in Zhidoi county,which is located within the qinghai‒Tibet Engineering Corridor(QTEC).We employed statistical techniques to elucidate the mechanisms influencing FTILs *** enhanced method identifies two schemes that achieve high accuracy using a smaller training sample(scheme A:94.1%;scheme D:94.5%)compared to other methods(scheme B:50.0%;scheme C:95.8%).This methodology is effective in generating accurate results using only~10%of the training sample size necessitated by other *** spatial distribution patterns of FTILs generated for 2021 are similar to those obtained using various other training sample sources,with a primary concentration observed along the central region traversed by the *** results highlight the slope as the most crucial feature in the fusion images,accounting for 93%of FTILs occurring on gentle slopes ranging from 0°to 14°.This study provides a theoretical framework and technological reference for the identification,monitoring,prevention and control of FTILs in *** developments hold the potential to benefit the management of grassland ecosystem,reduce economic losses,and promote grassland sustainability.

关键词： Permafrost degradation Random forest Thaw slump Spatial distribution Tibetan Plateau

To explore the pathogenesis of anterior resection syndrome by magnetic resonance imaging rectal defecography

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World Journal of Gastrointestinal Surgery 2024年第2期16卷 529-538页

作者： Ling-Hou Meng Xian-Wei Mo Bing-Yu yang hai-Quan Qin qing-Zhou Song Xin-Xin He Qiang Li Zheng Wang Chang-Lin Mo Guo-hai yang Department of Gastrointestinal Surgery Guangxi Clinical Research Center for Colorectal CancerGuangxi Medical University Cancer HospitalNanning 530021Guangxi Zhuang Autonomous RegionChina Department of Colorectal and Anal Surgery Guangxi Medical University Cancer HospitalNanning 530021Guangxi Zhuang Autonomous RegionChina Department of Radiology Guangxi Medical University Cancer HospitalNanning 530021Guangxi Zhuang Autonomous RegionChina First Department of Chemotherapy Guangxi Medical University Cancer HospitalNanning 530021Guangxi Zhuang Autonomous RegionChina

BACKGROUND Over 90%of rectal cancer patients develop low anterior resection syndrome(LARS)after sphincter-preserving *** current globally recognized evaluation method has many drawbacks and its subjectivity is too strong,which hinders the research and treatment of *** To evaluate the anorectal function after colorectal cancer surgery by quantifying the index of magnetic resonance imaging(MRI)defecography,and pathogenesis of *** We evaluated 34 patients using the standard LARS score,and a new LARS evaluation index was established using the dynamic images of MRI defecography to verify the LARS *** In the LARS score model,there were 10(29.41%)mild and 24(70.58%)severe cases of *** comparison of defecation rate between the two groups was 29.36±14.17%versus 46.83±18.62%(P=0.004);and MRI-rectal compliance(MRI-RC)score was 3.63±1.96 versus 7.0±3.21(P=0.001).Severe and mild LARS had significant differences using the two evaluation *** was a significant negative correlation between LARS and MRI-RC score(P<0.001),and they had a negative correlation with defecation rate(P=0.028).CONCLUSION MRI defecography and standard LARS score can both be used as an evaluation index to study the pathogenesis of LARS.

关键词： Anterior resection syndrome Colorectal cancer Diagnostic evaluation system Magnetic resonance imaging defecography Pathogenesis

Dual template-induced construction of three-dimensional porous SiO2/NC/Co-CNTs heterostructure with highly dispersed active sites for efficient oxygen evolution reaction

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Tungsten 2024年第3期6卷 585-595页

作者： hai-Qi Zhang Xiao-Jun Zeng qing-qing Zhang Zu-Liang Zhang Chu-Long Jin Rong-hai Yu School of Materials Science and Engineering Jingdezhen Ceramic University School of Materials Science and Engineering Beihang University

The development and exploration of efficient and economical electrocatalysts for oxygen evolution reaction（OER） represents the main bottleneck to unlocking a sustainable energy scenario based on elec trocataly tic water *** scale integration of three-dimensional（3D） porous heterostructure with highly dispersed active sites and good structural stability is ***,a dual template route is developed to construct the 3D porous SiO2/nitrogen-doped carbon（NC）/Co-carbon nano tubes（CNTs） hetero ***,the hard template（SiO2nano spheres） contributes to 3D porous structure,increases the specific surface area,and promotes the contact area of the *** the same time,the soft template（basic zinc carbonate） can control the growth of 1D CNTs and facilitate the exposure of the active ***,3D porous SiO2/NC/Co-CNTs hetero structure inherits highly dispersed Co nanoparticles coated by *** conductive channels and abundant N hetero atoms doping are reasonably constructed by a dual template ***,SiO2/NC/Co-CNTs catalyst provides an extraordinary activity for the OER in alkaline media,with a low overpotential of 298 mV at a current density of 10 mA·***,SiO2/NC/Co-CNTs hetero structure enables excellent long-term durability with a 10 mV decay in overpotential after 3000 cyclic voltammetry cycles,and 97% remain in current density over 20 *** is believed that this dual template strategy can provide a new and simple way to construct a highly dispersed active site in electrocatalysts.

关键词： Dual template High dispersion Porous heterostructure Conductive channels Oxygen evolution reaction

Multi-surrogate framework with an adaptive selection mechanism for production optimization

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Petroleum Science 2024年第1期21卷 366-383页

作者： Jia-Lin Wang Li-Ming Zhang Kai Zhang Jian Wang Jian-Ping Zhou Wen-Feng Peng Fa-Liang Yin Chao Zhong Xia Yan Pi-yang Liu Hua-qing Zhang Yong-Fei yang hai Sun School of Petroleum Engineering China University of Petroleum(East China)Qingdao266580ShandongChina qingdao University of Technology Qingdao266580ShandongChina College of Science China University of PetroleumQingdao266580ShandongChina Zepu Oil and Gas Development Department PetroChina Tarim Oilfield CompanyKorla841000XinjiangChina hainan Branch of CNOOC Ltd Haikou70311HainanChina

Data-driven surrogate models that assist with efficient evolutionary algorithms to find the optimal development scheme have been widely used to solve reservoir production optimization ***,existing research suggests that the effectiveness of a surrogate model can vary depending on the complexity of the design problem.A surrogate model that has demonstrated success in one scenario may not perform as well in *** the absence of prior knowledge,finding a promising surrogate model that performs well for an unknown reservoir is ***,the optimization process often relies on a single evolutionary algorithm,which can yield varying results across different *** address these limitations,this paper introduces a novel approach called the multi-surrogate framework with an adaptive selection mechanism(MSFASM)to tackle production optimization *** consists of two *** the first stage,a reduced-dimensional broad learning system(BLS)is used to adaptively select the evolutionary algorithm with the best performance during the current optimization *** the second stage,the multi-objective algorithm,non-dominated sorting genetic algorithm II(NSGA-II),is used as an optimizer to find a set of Pareto solutions with good performance on multiple surrogate models.A novel optimal point criterion is utilized in this stage to select the Pareto solutions,thereby obtaining the desired development schemes without increasing the computational load of the numerical *** two stages are combined using sequential transfer *** the two most important perspectives of an evolutionary algorithm and a surrogate model,the proposed method improves adaptability to optimization problems of various reservoir *** verify the effectiveness of the proposed method,four 100-dimensional benchmark functions and two reservoir models are tested,and the results are compared with those obtained by six other surrogate-model-based *** res

关键词： Production optimization Multi-surrogate models Multi-evolutionary algorithms Dimension reduction Broad learning system

Notably Accelerated Nano-Bainite Transformation via Increasing Undissolved Carbides Content on GCr15Si1Mo Bearing Steel

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Acta Metallurgica Sinica(English Letters) 2024年第4期37卷 703-712页

作者： Yan-Hui Wang Hua-Qiang Sun Wen-Jing Feng Lei-Jie Zhao Xiang Chen qing-An Chen hai-Tao Sun Jian-Jun Wang Zhi-Nan yang Key Laboratory of Intelligent Industrial Equipment Technology of Hebei Province School of Mechanical and Equipment EngineeringHebei University of EngineeringHandan056038China Collaborative Innovation Center for Modern Equipment Manufacturing of Jinan New Area Hebei University of EngineeringHandan056038China School of Materials Science and Engineering Tsinghua UniversityBeijing100084China Avic Shang da Superalloys Company Limited Xingtai054800China National Engineering Research Center for Equipment and Technology of Cold Strip Rolling Yanshan UniversityQinhuangdao066004China

In this study, a high-carbon nano-bainitic GCr15Si1Mo bearing steel was investigated. Specifically, the effects of content and size of undissolved carbides on the microstructure and transformation kinetics of nano-bainite were analyzed. The results demonstrated that after prolonged austempering at low temperatures, the mixed microstructure composed of nano-bainite (NB), undissolved carbides (UC), and retained austenite (RA) was obtained in GCr15SiMo steel. When the experimental steel was austenitized at 900 ℃, the undissolved carbides gradually dissolved until reaching a stable state with increasing holding time. Furthermore, at the same austempering temperature, despite different volume fractions of undissolved carbides in the substrate, the volume fractions of nano-bainite in the final microstructures remained essentially the same. Moreover, the higher the content of undissolved carbides in steel, the faster the transformation rate of nano-bainite and the shorter the total transformation time.

关键词： Nano-bainite Undissolved carbides Bainitic transformation kinetics Carbon concentration