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Hot Deformation Behavior and Microstructures Evolution of GNP-Reinforced Fine-Grained Mg Composites

Acta Metallurgica Sinica(English Letters) 2024年第3期37卷 407-424页

作者： Hengrui Hu Jiayu Qin Yunpeng Zhu Jinhui Wang Xiaoqiang Li Peipeng Jin Qinghai Provincial Key Laboratory of New Light Alloys Qinghai UniversityXining 810016China Qinghai Provincial Engineering Research Center of High Performance Light Metal Alloys and Forming Qinghai UniversityXining 810016China Department of Mechanical Engineering Tsinghua UniversityBeijing 100084China School of Material Science and Engineering Lanzhou University of TechnologyLanzhou 730050China

Graphene nanoplates(GNPs)-reinforced magnesium matrix composites have been attracted great ***,knowledge is lack for the hot deformation behavior of GNP-reinforced magnesium(GNPs/Mg)*** this study,the fine-grained GNPs/Mg composite was fabricated by powder metallurgy process followed by *** hot deformation behavior,microstructure evolution and dynamic recrystallization(DRX)mechanism of fine-grained GNPs/Mg composite were investigated by hot compression test and electron back-scatter diffraction(EBSD).The hot compression tests of the composite were conducted at temperatures between 423 and 573 K with the strain rates from 0.001 to 1 s^(-1).The strain compensated power law equation was established to describe the hot deformation behavior of the *** stress exponent and activation energy of the composite are 7.76 and 83.23 kJ/mol,respectively,suggesting that the deformation mechanism is grain boundary slip controlled dislocation climb *** abnormally high stress exponent and activation energy are unattainable in the composite due to the fine grain size of the composites and the absence of Zener pinning and Orowan effects of GNPs *** grain size increases with the decrease in Zener-Hollomn(Z)parameter,which can be well fitted by power-law *** the increase in grain size and decrease in Z parameter,the geometrically necessary dislocation density decreases,which shows the approximately power-law relationship.A random and weak texture was formed after hot *** discontinuous dynamic recrystallization and continuous dynamic recrystallization mechanism dominated the DRX behavior at 473 K/0.001 s^(-1) and 573 K/0.001 s^(-1),respectively.

关键词： GNPs Mg composite Hot deformation behavior Constitutive equations Microstructure evolution Dynamic recrystallization

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Phosphotungstic acid ionic liquid for efficient photocatalytic desulfurization:Synthesis,application and mechanism

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Chinese Journal of Chemical Engineering 2024年第5期69卷 101-111页

作者： Chenchao Hu Suhang Xun Desheng Liu Junjie Zhang Minqiang He Wei Jiang Huaming Li Wenshuai Zhu Institute of Environmental Health and Ecological Security School of Environment and Safety EngineeringJiangsu UniversityZhenjiang 212013China School of Chemistry and Chemical Engineering Institute for Energy ResearchJiangsu UniversityZhenjiang 212013China Jiangsu Collaborative innovation Center of technology and Material of Water Treatment Suzhou University of Science and TechnologySuzhou 215009China

An efficient mass transfer process is a critical factor for regulating catalytic activity in a photocatalytic desulfurization ***,a phosphotungstic acid(HPW)active center is successfully composited with a quaternary ammonium phosphotungstate-based hexadecyltrimethylammonium chloride ionic liquid(CTAC-HPW)by the ion exchange method for the photocatalytic oxidative desulfurization of dibenzothiophene *** keggin structure of HPW and highly mass transfer performance of organic cations synergistically enhanced the photocatalytic activity towards the effective convertion of dibenzothiophene(DBT)with the excitation of visible *** deep desulfurization(from coexisting compounds such as olefins and aromatic hydrocarbons and universality of dibenzothiophenes,for example,4-methyldibenzothiophene(4-MDBT)and 4,6-dimethyldibenzothiophene(4,6-DMDBT).Ultimately,a possible photocatalytic desulfurization mechanism is proposed according to the Gaschromatography-mass spectrometry(GC-MS),proving that the final product is the corresponding *** trapping experiment and electron spin resonance(ESR)analysis confirmed that h^(+)and,COOH played critical roles in the oxidation *** work offers a practicable strategy for efficiently converting DBT to DBTO_(2) with added value.

关键词： Photocatalytic desulfurization Extraction Ionic liquid CTAC-HPW

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Structural correlation and chemistry of molten NaF-ScF_(3) with dissolved metal aluminium:TG/DTA,XRD,NMR and molecular dynamics simulations

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Rare Metals 2024年第7期43卷 3356-3369页

作者： Aydar Rakhmatullin Frantisek Simko Didier Zanghi Zuzana Netriová Ilya BPolovov Ayrat Dimiev Konstantin V.Maksimtsev Catherine Bessada Michal Korenko Conditions Extrêmes et Materiaux:Haute Température et Irradiation CEMHTIUPR 3079-CNRS Univ Orleans45071 OrleansFrance Department of Molten Systems Institute of Inorganic ChemistrySlovak Academy of Sciences84536 BratislavaSlovakia Centre of Excellence for Advanced Materials Application-CEMEA Slovak Academy of Sciences84511Bratislava.Slovakia Department of Rare Metals and Nanomaterials Institute of Physics and TechnologyUral Federal UniversityUral Federal University620002 EkaterinburgRussia Alexander Butlerov Institute of Chemistry Kazan Federal University420008KazanRussia

For the first time,the mechanism of metal aluminum dissolution in NaF-ScF_(3) eutectic melts and the chemical interaction between the constituents of this mixture have been thoroughly studied by a combination of differential thermal analysis(DTA),high temperature and solid-state nuclear magnetic resonance(NMR),and X-ray diffraction(XRD) coupled with the molecular dynamic *** formation of an insoluble Al_(3)Sc alloy in molten(NaF-ScF_(3))_(eut)system was proven,and the chemical mechanism of this aluminothermic Al_(3)Sc alloy production was *** ex situ examinations bring to light the formation of NaScF_4 and solid solution of Na_(3)(Al,Sc)F_(6) in cooled *** molecular dynamics calculations of the bath allow us to construct the structural model and to predict viscosity,density and electrical conductivity of the reagent melt to help to optimize the conditions of the alloy synthesis.

关键词： Scandium Alloy Molten salts NMR Molecular dynamics

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Experimental and theoretical insight into carbamazepine degradation by chlorine-based advanced oxidation processes:Efficiency,energy consumption,mechanism and DBPs formation

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Journal of Environmental Sciences 2024年第5期139卷 72-83页

作者： Chunwei Liu Zuo Tong How Yue Ju Li Feng Xuefeng Ren Mohamed Gamal El-Din Key Laboratory ofCoal Processing and Efficient Utilization of Ministry of Education School of Chemical Engineering and TechnologyChina University of Mining and TechnologyJiangsu 221116China Department of Civil and Environmental Engineering University of AlbertaEdmonton T6G 1H9AlbertaCanada School of Environment and Spatial Informatics China University of Mining and TechnologyJiangsu 221116China Key Laboratory of Agro-Forestry Environmental Processes and Ecological Regulation ofHainan Province School of Ecology and EnvironmentHainan UniversityHainan 570228China

Chlorine has been widely used in different advanced oxidation processes(AOPs)for micropollutants *** this study,different chlorine-based AOPs,namely medium pressure(MP)UV/chlorine,low pressure(LP)UV/chlorine,and in-situ chlorination,were compared for carbamazepine(CBZ)removal efficiency,energy consumption,and disinfection by-products(DBPs)*** three processes could achieve nearly 100%CBZ removal,while the reaction time needed by in-situ chlorination was double the time required by UV/chlorine *** energy consumed per magnitude of CBZ removed(EE/O)of MP UV/chlorine was 13 times higher than that of LP UV/chlorine,and relative to that of in-situ chlorination ***,MP and LP UV/chlorine processes generated one to two orders of magnitude more hydroxyl radicals(^(·)OH)and reactive chlorine species(RCS)than in-situ ***,RCS were the dominant reactive species,contributing to 78.3%,75.6%,and 71.6% of CBZ removal in MP,LP UV/chlorine,and in-situ chlorination,*** to the Gibbs free energy barriers between CBZ and RCS/^(·)OH calculated based on density functional theory(DFT),RCS had more reaction routes with CBZ and showed lower energy barrier in the main CBZ degradation pathways like epoxidation and formation of *** applied to secondary wastewater effluent,UV/chlorine and in-situ chlorination produced overall DBPs ranging from 104.77 to 135.41μg/***,the production of chlorate during UV/chlorine processes was 15 times higher than that during in-situ chlorination.

关键词： UV/chlorine In-situ chlorination Energy efficiency Role of reactive species DFT calculation Disinfection by-products

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Nearly degenerate ground states of a checkerboard antiferromagnet and their bosonic interpretation

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Science China(Physics,Mechanics & Astronomy) 2024年第1期67卷 84-89页

作者： Haiyuan Zou Fan Yang Wei Ku Key Laboratory of Polar Materials and Devices(MOE) School of Physics and Electronic ScienceEast China Normal UniversityShanghai 200241China Department of Physics Beijing Institute of TechnologyBeijing 100081China Tsung-Dao Lee Institute Shanghai 200240China Key Laboratory of Artificial Structures and Quantum Control(Ministry of Education) Shanghai 200240China Shanghai Branch Hefei National LaboratoryShanghai 201315China

The spin-1/2 model system with antiferromagnetic(AF) couplings on a J1-J2checkerboard lattice, known as the planar pyrochlore model, is strongly frustrated and associated with a two-to-one dimensional crossover. Using the Projected Entangled Simplex States tensor network ansatz, we identify a large number of nearly degenerate states in the frustrated region(J_(1)

关键词： tensor networks frustrated magnetism dimensional crossover degenerate states

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Enlarged interlayer of separator coating enabling high-performance lithiumsulfur batteries

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Frontiers of Chemical Science and Engineering 2024年第2期18卷 103-112页

作者： Yanqi Feng Hui Liu Xiaoting Liu Qiongqiong Lu School of Materials&Environment Engineering Chengdu Technological UniversityChengdu 611730China School of Materials Science and Engineering Shaanxi Key Laboratory of Green Preparation and Functionalization for Inorganic MaterialsShaanxi University of Science and TechnologyXi’an 710021China Green Catalysis Center and College of ChemistryZhengzhou UniversityZhengzhou 450001China Institute of Materials Henan Key Laboratory of Advanced Conductor MaterialsHenan Academy of SciencesZhengzhou 450046China Leibniz Institute for Solid State and Materials Research(IFW) Dresden e.V.Dresden 01069Germany

Lithiumsulfur batteries have been intensively studied due to their high theoretical energy density and abundant sulfur resources. However, their commercial application is hindered by the low redox kinetics and high sulfur losses. In principle, in the design of cathodes and separators, the adsorption toward lithium-polysulfides should be enhanced and the conversion of soluble high-order lithium-polysulfides should be catalyzed. Herein, a KV_(3)O_(8)·0.75H_(2)O separator is designed as an effective lithium-polysulfides mediator in lithiumsulfur batteries. The intercalated K+ would enlarge the interlayer spacing of vanadium oxides, preventing the collapse of the layer structure and improving the electrical/ion conductivity of the interface. Moreover, the KV_(3)O_(8)·0.75H_(2)O modified separator possess a prior adsorption and high redox kinetics toward lithium-polysulfides due to the enhanced diffusion kinetics, which guarantees the high-rate capability and efficient utilization of sulfur. As a result, lithiumsulfur batteries exhibit a high capacity of 1362 mAh·g^(-1) and a long lifespan with a low capacity loss of 0.073% per cycle. This work may provide an alternative way to establish a functional separator to balance the adsorption and conversion of polysulfides during the redox back and forth.

关键词： lithium kinetics adsorption

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Performance Analysis of an Efficient Integration System of Coal-Fired Power Plant,Solar Thermal Energy and CO_(2)Capture

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Journal of Thermal Science 2024年第4期33卷 1509-1522页

作者： WANG Yuhao WANG Ruilin LIU Lanhua XING Chenjian GUO Yafei YANG Qingshan YING Jiaheng SUN Jian LI Wenjia LIU Yuanyuan ZHAO Chuanwen School of Energy and Mechanical Engineering Nanjing Normal UniversityNanjing210023China China Huadian Group Co.LTD.Shanghai Branch Shanghai200120China Key Laboratory of Efficient Utilization of Low and Medium Grade Energy(Tianjin University) Ministry of Education of ChinaTianjin300350China Huadian Zhengzhou Mechanical Design Institute Company Limited Zhengzhou450046China

Coal-fired power plant is a major contributor to greenhouse gas *** post-combustion capture is a promising method for CO_(2)emission reduction but the high thermal demand is *** address this issue,solar thermal energy and CO_(2)capture are jointly integrated into the coal-fired power plant in this *** solar thermal energy is employed to meet the heat requirement of the CO_(2)capture process,thereby avoiding the electricity loss caused by self-driven CO_(2)***,the heat released from the carbonation reaction of MgO adsorbent is integrated into the steam Rankine *** partially substituting the extracted steam for feedwater heating,the electricity output of the power plant is further *** to the results from the developed model,the system could achieve a CO_(2)capture rate of 86.5%and an electricity output enhancement of 9.8%compared to the reference system,which consists of a self-driven CO_(2)capture coal-fired power plant and PV generation *** operational strategy is also optimized and the amount of CO_(2)emission reduction on a typical day is increased by 11.06%.This work shows a way to combine fossil fuels and renewable energy for low carbon emissions and efficient power generation.

关键词： CO_(2)capture parabolic trough collector solar aided coal-fired electricity generation

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Enhancing the electrocatalytic performance of nitrate reduction to ammonia by in-situ nitrogen leaching

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Chinese Chemical Letters 2024年第2期35卷 564-569页

作者： Mimi Fu Yini Mao Hua Wang Wei Luo Yimin Jiang Wei Shen Ming Li Rongxing He College of Chemistry and Chemical Engineering Southwest UniversityChongqing 400715China

Electrochemical nitrate reduction reaction (NITRR) is regarded as a “two birds-one stone” method for the treatment of nitrate contaminant in polluted water and the synthesis of valuable ammonia, which is retarded by the lack of highly reactive and selective electrocatalysts .Herein, for the first time, nickel foam supported Co_(4) N was designed as a high-performance NITRR catalyst by an in-situ nonmetal leaching-induced *** the optimal potential, the Co_(4) N/NF catalyst achieves ultra-high Faraday efficiency and NH_(3) selectivity of 95.4% and 99.4%, *** situ X-ray absorption spectroscopy (XAS), together with other experiments powerfully reveal that the nitrogen vacancies produced by nitrogen leaching are stable and play a key role in boosting nitrate reduction to *** calculations confirm that Co_(4) N with abundant nitrogen vacancies can optimize the adsorption energies of NO_(3)^(-) and intermediates, lower the free energy (Δ G ) of the potential-determining step (*NH_(3) to NH_(3) ) and inhibit the formation of N-containing *** addition, we also conclude that the nitrogen vacancies can stabilize the adsorbed hydrogen, making H_(2) quite difficult to produce, and lowering ΔG from *NO to *NOH, which facilitates the selective reduction of *** study reveals significant insights about the in-situ nonmetal leaching to enhance the NITRR activity.

关键词： Co4N Nitrate reduction In-situ nonmetal leaching Nitrogen vacancy Mechanism

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Evaluating the stability and volumetric flowback rate of proppant packs in hydraulic fractures using the lattice Boltzmann-discrete element coupling method

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Journal of Rock Mechanics and Geotechnical Engineering 2024年第6期16卷 2052-2063页

作者： Duo Wang Sanbai Li Rui Wang Binhui Li Zhejun Pan National Key Laboratory of Continental Shale Oil Northeast Petroleum UniversityDaqing163318China Institute of Unconventional Oil&Gas Northeast Petroleum UniversityDaqing163318China School of Environmental Science and Engineering Southern University of Science and TechnologyShenzhen518055China National Center for Applied Mathematics Shenzhen(NCAMS) Southern University of Science and TechnologyShenzhen518055China National Key Laboratory of Continental Shale Oil Daqing Oilfield of CNPCDaqing163002China Daqing Oilfield Exploration and Development Research Institute DaqingHeilongjiang163712China

The stability and mobility of proppant packs in hydraulic fractures during hydrocarbon production are numerically investigated by the lattice Boltzmann-discrete element coupling method(LB-DEM).This study starts with a preliminary proppant settling test,from which a solid volume fraction of 0.575 is calibrated for the proppant pack in the *** the established workflow to investigate proppant flowback,a displacement is applied to the fracture surfaces to compact the generated proppant pack as well as further mimicking proppant embedment under closure *** a pressure gradient is applied to drive the fluid-particle flow,a critical aperture-to-diameter ratio of 4 is observed,above which the proppant pack would *** results also show that the volumetric proppant flowback rate increases quadratically with the fracture aperture,while a linear variation between the particle flux and the pressure gradient is exhibited for a fixed fracture *** research outcome contributes towards an improved understanding of proppant flowback in hydraulic fractures,which also supports an optimised proppant size selection for hydraulic fracturing operations.

关键词： Numerical simulation Hydraulic fracturing Proppant flowback Closure stress Particulate flow

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Incorporating empirical knowledge into data-driven variable selection for quantitative analysis of coal ash content by laser-induced breakdown spectroscopy

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Plasma Science and technology 2024年第7期26卷 148-156页

作者：吕一涵宋惟然侯宗余王哲 State Key Laboratory of Power System Operation and Control International Joint Laboratory on Low Carbon Clean Energy InnovationDepartment of Energy and Power EngineeringTsinghua UniversityBeijing 100084People’s Republic of China School of Energy and Electrical Engineering Qinghai UniversityXining 810016People’s Republic of China Tsinghua University Shanxi Research Institute Clean EnergyTaiyuan 030032People’s Republic of China

Laser-induced breakdown spectroscopy(LIBS)has become a widely used atomic spectroscopic technique for rapid coal ***,the vast amount of spectral information in LIBS contains signal uncertainty,which can affect its quantification *** this work,we propose a hybrid variable selection method to improve the performance of LIBS *** variables are first identified using Pearson's correlation coefficient,mutual information,least absolute shrinkage and selection operator(LASSO)and random forest,and then filtered and combined with empirical variables related to fingerprint elements of coal ash ***,these variables are fed into a partial least squares regression(PLSR).Additionally,in some models,certain variables unrelated to ash content are removed manually to study the impact of variable deselection on model *** proposed hybrid strategy was tested on three LIBS datasets for quantitative analysis of coal ash content and compared with the corresponding data-driven baseline *** is significantly better than the variable selection only method based on empirical knowledge and in most cases outperforms the baseline *** results showed that on all three datasets the hybrid strategy for variable selection combining empirical knowledge and data-driven algorithms achieved the lowest root mean square error of prediction(RMSEP)values of 1.605,3.478 and 1.647,respectively,which were significantly lower than those obtained from multiple linear regression using only 12 empirical variables,which are 1.959,3.718 and 2.181,*** LASSO-PLSR model with empirical support and 20 selected variables exhibited a significantly improved performance after variable deselection,with RMSEP values dropping from 1.635,3.962 and 1.647 to 1.483,3.086 and 1.567,*** results demonstrate that using empirical knowledge as a support for datadriven variable selection can be a viable approach to improve the acc

关键词： laser-induced breakdown spectroscopy(LIBS) coal ash content quantitative analysis variable selection empirical knowledge partial least squares regression(PLSR)

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