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Role of catalyst surface-active sites in the hydrogenation ofα,β-unsaturated aldehyde

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Frontiers of Chemical Science and Engineering 2024年第6期18卷 41-69页

作者： Haixiang Shi Tongming su Zuzeng qin Hongbing Ji School of Chemistry and Chemical Engineering Guangxi Key Laboratory of Petrochemical Resource Processing and Process Intensification TechnologyGuangxi UniversityNanning 530004China Zhejiang Green Petrochemical and Light Hydrocarbon Transformation Research Institute Zhejiang University of TechnologyHangzhou 310014China

As an important technology in fine chemical production,the selective hydrogenation ofα,β-unsaturated aldehydes has attracted much attention in recent *** the process ofα,β-unsaturated aldehyde hydrogenation,a conjugated system is formed between>C=CC=O,leading to hydrogenation at both ends of the conjugated system,which competes with each other and results in more complex ***,improving the reaction selectivity is also difficult in industrial ***,many researchers have reported that surface-active sites on catalysts play a crucial role inα,β-unsaturated aldehyde *** review attempts to summarize recent advances in understanding the effects of surface-active sites(SASs)over metal catalysts for enhancing the process of *** construction strategies and roles of SASs for hydrogenation catalysts are *** attention has been given to the adsorption configuration and transformation mechanism ofα,β-unsaturated aldehydes on catalysts,which contributes to understanding the relationship between SASs and hydrogenation *** addition,recent advances in metal-supported catalysts for the selective hydrogenation ofα,β-unsaturated aldehydes to understand the role of SASs in hydrogenation are briefly ***,the opportunities and challenges will be highlighted for the future development of the precise construction of SASs.

关键词： α,β-unsaturatedd aldehydes hydrogenation active site cinnamaldehyde

Ligand-controlled electrochemiluminescence generation from CdSe/CdS/ZnS core/shell/shell quantum dots

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Nano Research 2024年第8期17卷 7776-7785页

作者： Hui sun Zhiyuan Cao Haiyan qin Xiaogang Peng Bin su Key Laboratory of Excited-State Materials of Zhejiang Province Department of ChemistryZhejiang UniversityHangzhou 310058China

The CdSe/CdS/ZnS core/shell/shell quantum dots(QDs)with strong exciton confinement have manifested themselves as competitive light-emitting materials in electrochemiluminescence(ECL).However,cathodic ECL generation by these QDs requires the injection of electron and hole from solid electrode and electrogenerated radicals(for example SO_(4)•^(−)),which is inevitably influenced by not only the inorganic structure of QDs but also the organic ligands on the *** this work we aimed at studying the impact of surface organic ligands on ECL performance of CdSe/CdS/ZnS *** changing the surface ligand from oleate to acetate,we phenomenologically observed the positive shift of ECL onset potential by ca.200 mV and the increase of ECL intensity by~100 times,suggesting that a short ligand is more favorable for ECL *** further comprehend the ligand effect,we measured the charge injection kinetics using potential-modulated,time-resolved photoluminescence,and thinlayer spectroelectrochemistry *** electron and hole injection into QDs were found to be accelerated by 2–20 times if shortening the ligand from oleate to acetate,confirming the significant impact of surface ligands on ECL performance of *** study is expected to provide guidance on how to design surface functionalized QDs for specific applications such as ECL immunodiagnosis,photocatalysis,and photovoltaics.

关键词： electrochemiluminescence quantum dots spectroelectrochemistry surface ligands charge injection charge transfer

Constructing high-capacity and flexible aqueous zinc-ion batteries with air-recharging capability using organic cathodes

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Chinese Chemical Letters 2024年第3期35卷 468-472页

作者： Xiaojuan Chen Haoqi su Baozhu Yang Xiaocen Liu Xiuting Song Lixin su gui Yin Qi Liu Jiangsu Key Laboratory of Advanced Catalytic Materials and Technology Advanced Catalysis Green Manufacturing Collaborative Innovation Center and School of Petrochemical EngineeringChangzhou UniversityChangzhou 213164China State Key Laboratory of Coordination Chemistry Nanjing UniversityNanjing 210093China

Flexible aqueous zinc-ion batteries(AZIBs)with air-recharging capability are a promising self-powered system applied in future wearable *** is desired to develop high-capacity air-rechargeable ***,we developed a flexible AZIB with air-recharging capability based on trinitrohexaazatrinaphthylene(TNHATN)cathode and a ZnSO_(4)*** flexible Zn//TNHATN battery exhibits high volumetric energy density(21.36 mWh/cm^3)and excellent mechanical ***,the discharged flexible Zn//TNHATN battery can be chemical self-charged via the redox reaction between TNHATN cathode and O_(2)from the *** oxidation in air for 15 h,such flexible Zn//TNHATN battery can deliver a high specific capacity of 320 mAh/g at 0.5 A/g,displaying excellent air-recharging ***,this flexible Zn//TNHATN battery also works well in chemical or/and galvanostatic charging mixed modes,showing *** work provides a new insight for designing flexible aqueous self-powered systems.

关键词： Aqueous zinc-ion battery Trinitrohexaazatrinaphthylene Organic cathode materials Flexible air-rechargeable battery Self-powered system

Anthropogenic Influence on Decadal Changes in Concurrent Hot and Dry Events over China around the Mid-1990s

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Advances in Atmospheric Sciences 2024年第2期41卷 233-246页

作者： qin su Buwen DONG Fangxing TIAN Nicholas P.KLINGAMAN Yunnan Key Laboratory of Meteorological Disasters and Climate Resources in the Great Mekong subregion Yunnan UniversityKunming 650500China Department of Atmospheric Sciences Yunnan UniversityKunming 650500China National Centre for Atmospheric Science Department of MeteorologyUniversity of ReadingReadingRG66BBUK Geofysisk Institut University of BergenBergen 5007Norway Citadel Investment Group Moor House120 London WallLondonRG66BBUK

The frequency and duration of observed concurrent hot and dry events(HDEs) over China during the growing season(April–September) exhibit significant decadal changes across the mid-1990s. These changes are characterized by increases in HDE frequency and duration over most of China, with relatively large increases over southeastern China(SEC), northern China(NC), and northeastern China(NEC). The frequency of HDEs averaged over China in the present day(PD,1994–2011) is double that in the early period(EP, 1964–81);the duration of HDEs increases by 60%. Climate experiments with the Met Office Unified Model(MetUM-GOML2) are used to estimate the contributions of anthropogenic forcing to HDE decadal changes over China. Anthropogenic forcing changes can explain 60%–70% of the observed decadal changes,suggesting an important anthropogenic influence on HDE changes over China across the mid-1990s. Single-forcing experiments indicate that the increase in greenhouse gas(GHG) concentrations dominates the simulated decadal changes,increasing the frequency and duration of HDEs throughout China. The change in anthropogenic aerosol(AA) emissions significantly decreases the frequency and duration of HDEs over SEC and NC, but the magnitude of the decrease is much smaller than the increase induced by GHGs. The changes in HDEs in response to anthropogenic forcing are mainly due to the response of climatological mean surface air temperatures. The contributions from changes in variability and changes in climatological mean soil moisture and evapotranspiration are relatively small. The physical processes associated with the response of HDEs to GHG and AA changes are also revealed.

关键词： concurrent hot and dry events decadal variation greenhouse gases aerosol emissions

THE　STUDY　OF　POISONING　EFFECT　OF　suLPHUR　COMPOUNDS　ON　ACTIVITY　OF　IRON　CARBONYL　CLUSTERS　FOR　WATER　GAS　SHIET　REACTION

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Chinese Chemical Letters 1994年第5期5卷 427-430页

作者： Wen Zhong ZHANG Run Xiong GAO gui qin su Ji Chun XU Yuan Qi YIN (Lanzhou Institute of Chemical Physics, Chinese Academy of Sciences,Lanzhou 730000)

The activities of Fe3(CO)(12), Fe2S2(CO)9, Fe2S2(CO)6 for water gas shift reaction, and the effects of Na2S, K2S, FeS, NH4CNS and thiophene on activity of Fe3(CO)(12) have been studied.

关键词： GAS SHIET WATER REACTION ACTIVITY CARBONYL

Optimization of fertilizer performances in long-term garlic cropping soils

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Pedosphere 2024年第3期34卷 577-589页

作者： Tianqi WEI Hongmei ZHOU Huayang HONG Yanyun REN qin LIU Yanhua su Institute of Soil Science Chinese Academy of SciencesNanjing 210008(China) University of Chinese Academy of Sciences Beijing 100049(China) University of Chinese Academy of Sciences NanjingNanjing 211135(China) Jining Academy of Agricultural Sciences Jining 272100(China) College of Forestry Nanjing Forestry UniversityNanjing 210037(China)

Continuous cropping is a common pattern of modern agriculture that takes regional advantages for crop yield *** the progress of mono-cropping continuously supported by intensive fertilizer inputs,such a cropping pattern often undergoes serious problems with low fertilizer use efficiencies and unsustainable crop *** this study,we dealt with a>25-year continuous garlic cropping system as an example for a problem-solving *** garlic cropping soils underwent problems characterized by loss of soil organic matter,dramatic retention of NH_(4)^(+)-N,and excess accumulation of phosphate and potash *** hydroponic simulations,we revealed that the presence of NH_(4)^(+)-N inhibited the root uptake of NO_(3)^(-)-N and K by 68% and 88%,*** the traditionally emphasized importance of K,we observed the negative effect of high K on the growth of garlic *** field experiments demonstrated that P and K applications can be reduced by 60% and 50%,respectively,without loss of *** thus developed a high-performance fertilization strategy by integrating a recomposed NPK fertilizer formulation to reduce unnecessary P and K inputs,a supplementary application of long-lasting C of woody peat to compensate for the soil C loss,and a foliar K approach to strengthen the stomatal function improvement with *** strategy allowed a 15% increase of garlic yield and a seasonal soil C profit of ca.1.8 Mg ha^(-1)even at ca.30% lower fertilizer *** study would be helpful in managing garlic fertilization and developing compound fertilizers,with broader significance for other long-term cropping soils.

关键词： fertilization strategy fertilizer input field validation hydroponic simulation optimized fertilization soil nutrient balance yield profit

Application of CFD and FEA Coupling to Predict Structural Dynamic Responses of A Trimaran in Uni-and Bi-Directional Waves

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China Ocean Engineering 2024年第1期38卷 81-92页

作者： LIAO Xi-yu XIA Jin-song CHEN Zhan-yang TANG qin ZHAO Nan ZHAO Wei-dong gui Hong-bin Marine Design&Research Institute of China Shanghai 200011China Ship Structure Division China Ship Scientific Research CenterWuxi 214082China College of Ocean Engineering Harbin Institute of TechnologyWeihaiWeihai 264209China State Key Laboratory of Structural Analysis Optimization and CAE Software for Industrial EquipmentDalian University of TechnologyDalian 116024China School of Foreign Studies Jiangnan UniversityWuxi 214122China

To predict the wave loads of a flexible trimaran in different wave fields,a one-way interaction numerical simulation method is proposed by integrating the fluid solver(Star-CCM+)and structural solver(Abaqus).Differing from the existing coupled CFD-FEA method for monohull ships in head waves,the presented method equates the mass and stiffness of the whole ship to the hull shell so that any transverse and longitudinal section stress of the hull in oblique waves can be ***,verification study and sensitivity analysis are carried out by comparing the trimaran motions using different mesh sizes and time step *** on the wave elevation of uni-and bi-directional waves is also carried *** a comprehensive analysis on the structural responses of the trimaran in different uni-directional regular wave and bi-directional cross sea conditions is carried out,***,the differences in structural response characteristics of trimaran in different wave fields are *** results show that the present method can reduce the computational burden of the two-way fluid-structure interaction simulations.

关键词： CFD-FEA fluid-structure coupling structural responses trimaran bi-directional cross sea

Multi-Scale Design and Optimization of Composite Material Structure for Heavy-Duty Truck Protection Device

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Computer Modeling in Engineering & Sciences 2024年第5期139卷 1961-1980页

作者： Yanhui Zhang Lianhua Ma Hailiang su Jirong qin Zhining Chen Kaibiao Deng School of Mechanical and Automotive Engineering Guangxi University of Science and TechnologyLiuzhou545006China Commercial Vehicle Technology Center Dongfeng Liuzhou Automobile Co.Ltd.Liuzhou545005China School of Mechanical and Automotive Engineering South China University of TechnologyGuangzhou510641China

In this paper,to present a lightweight-developed front underrun protection device(FUPD)for heavy-duty trucks,plain weave carbon fiber reinforced plastic(CFRP)is used instead of the original high-strength ***,the mechanical and structural properties of plain carbon fiber composite anti-collision beams are comparatively analyzed from a multi-scale *** studying the design capability of carbon fiber composite materials,we investigate the effects of TC-33 carbon fiber diameter(D),fiber yarn width(W)and height(H),and fiber yarn density(N)on the front underrun protective beam of carbon fiber *** on the investigation,a material-structure matching strategy suitable for the front underrun protective beam of heavy-duty trucks is ***,the composite material structure is optimized by applying size optimization and stack sequence optimization methods to obtain the higher performance carbon fiber composite front underrun protection beam of commercial *** results show that the fiber yarn height(H)has the greatest influence on the protective beam,and theH1matching scheme for the front underrun protective beamwith a carbon fiber composite structure exhibits superior *** proposed method achieves a weight reduction of 55.21% while still meeting regulatory requirements,which demonstrates its remarkable weight reduction effect.

关键词： Structural optimization front underrun protection device carbon fiber reinforced plastic multi-scale model lightweight design

Enhancing rock fragmentation prediction in mining operations: A Hybrid GWO-RF model with SHAP interpretability

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JOURNAL OF CENTRAL SOUTH UNIVERSITY 2024年第8期31卷 2916-2929页

作者： Zhang, Yu-lin qin, Yin-gui Armaghsni, Danial Jahed Monjezi, Masoud Zhou, Jian Cent South Univ Sch Resources & Safety Engn Changsha 410083 Peoples R China Jianghan Univ State Key Lab Precis Blasting Wuhan 430056 Peoples R China Jianghan Univ Hubei Key Lab Blasting Engn Wuhan 430056 Peoples R China Univ Technol Sydney Sch Civil & Environm Engn Sydney NSW 2007 Australia Tarbiat Modares Univ Fac Engn Dept Min Tehran 14115143 Iran

In the mining industry, precise forecasting of rock fragmentation is critical for optimising blasting processes. In this study, we address the challenge of enhancing rock fragmentation assessment by developing a novel hybrid predictive model named GWO-RF. This model combines the Grey Wolf Optimization (GWO) algorithm with the Random Forest (RF) technique to predict the D80 value, a critical parameter in evaluating rock fragmentation quality. The study is conducted using a dataset from Sarcheshmeh copper mine, employing six different swarm sizes for the GWO-RF hybrid model construction. The GWO-RF model's hyperparameters are systematically optimized within established bounds, and its performance is rigorously evaluated using multiple evaluation metrics. The results show that the GWO-RF hybrid model has higher predictive skills, exceeding traditional models in terms of accuracy. Furthermore, the interpretability of the GWO-RF model is enhanced through the utilization of SHapley Additive exPlanations (SHAP) values. The insights gained from this research contribute to optimizing blasting operations and rock fragmentation outcomes in the mining industry.

关键词： blasting rock fragmentation random forest grey wolf optimization hybrid tree-based technique MACHINE MINE