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Effects of acid-rock reaction on physical properties during CO_(2)-rich industrial waste gas(CO_(2)-rich IWG)injection in shale reservoirs

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Petroleum Science 2024年第1期21卷 272-285页

作者： Yi-Fan Wang Jing Wang Hui-Qing liu Xiao-Cong Lv Ze-min Ji National Key Laboratory of Petroleum Resources and Engineering China University of PetroleumBeijing102249China MOE Key Laboratory of Petroleum Engineering China University of PetroleumBeijing102249China Research Institute of Exploration and Development PetroChinaBeijing100083China

"Carbon peaking and carbon neutrality"is an essential national strategy,and the geological storage and utilization of CO_(2)is a hot issue ***,due to the scarcity of pure CO_(2)gas sources in China and the high cost of CO_(2)capture,CO_(2)-rich industrial waste gas(CO_(2)-rich IWG)is gradually emerging into the public's ***_(2)has good adsorption properties on shale surfaces,but acidic gases can react with shale,so the mechanism of the CO_(2)-rich IWG-water-shale reaction and the change in reservoir properties will determine the stability of geological ***,based on the mineral composition of the Longmaxi Formation shale,this study constructs a thermodynamic equilibrium model of water-rock reactions and simulates the regularity of reactions between CO_(2)-rich IWG and shale *** results indicate that CO_(2)consumed 12%after reaction,and impurity gases in the CO_(2)-rich IWG can be dissolved entirely,thus demonstrating the feasibility of treating IWG through water-rock *** IWG inhibits the dissolution of CO_(2),the optimal composition of CO_(2)-rich IWG is 95%CO_(2)and 5%IWG when CO_(2)geological storage is the main *** contrast,when the main goal is the geological storage of total CO_(2)-rich IWG or impurity gas,the optimal CO_(2)-rich IWG composition is 50%CO_(2)and 50%*** the CO_(2)-rich IWG-water-shale reaction,temperature has less influence on the water-rock reaction,while pressure is the most important ***2 has the greatest impact on water-rock reaction in *** minerals,clay minerals such as illite and montmorillonite had a significant effect on water-rock *** overall reaction is dominated by precipitation and the volume of the rock skeleton has increased by 0.74 cm3,resulting in a decrease in shale porosity,which enhances the stability of CO_(2)geological storage to some *** the reaction between CO_(2)-rich IWG-water-shale at simulated temperatures and pressures,precipitation

关键词： CO_(2)-rich industrial waste gas Geological storage Acid-rock reaction Shale Geochemical modelling

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Unlock the full potential of carbon cloth-based scaffolds towards magnesium metal storage via regulation on magnesiophilicity and surface geometric structure

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Journal of Energy Chemistry 2024年第3期90卷 423-434,I0010页

作者： Jing liu min Wang Zhonghua Zhang Jinlei Zhang Yitao He Zhenfang Zhou Guicun Li College of Materials Science and Engineering Qingdao University of Science and TechnologyQingdao 266042ShandongChina Department of Pharmacy Jining Medical UniversityRizhao 276826ShandongChina Department of Energy and Power Engineering School of Energy and EnvironmentAnhui University of TechnologyMa’anshan 243000AnhuiChina

The development of rechargeable magnesium(Mg) batteries is of practical significance to upgrade the electric energy storage devices due to exceptional capacity and abundant resources of Mg-metal ***,the reversible Mg electrochemistry suffers from unsatisfied rate capability and lifespan,mainly caused by non-uniform distribution of *** this work,a fresh design concept of threedimensional carbon cloths scaffolds is proposed to overcome the uncontrollable Mg growth via homogenizing electric field and improving magnesiophilicity.A microscopic smooth and nitrogen-containing defective carbonaceous layer is constructed through a facile pyrolysis of ZIF8 on carbon *** revealed by finite element simulation and DFT calculation results,the smooth surface endows with uniform electric field distribution and simultaneously the nitrogen-doping species enable good magnesiophilicity of *** fine and uniform Mg nucleus as well as the inner electrodeposit behavior are also *** a result,an exceptional cycle life of 500 cycles at 4.0 mA cm^(-2) and 4.0 mA h cm^(-2) is firstly realized to our best ***,the functional scaffolds can be cycled for over 2200 h at 2.0 mA cm^(-2) under a normalized capacity of 5.0 mA h cm^(-2),far exceeding previous *** work offers an effective approach to enable the full potential of carbon cloths-based scaffolds towards metal storage for next generation battery applications.

关键词： Magnesium metal anodes Electrodeposition Heterogeneous nucleation

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Electrocatalytic CO2 reduction to syngas

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Green Energy & Environment 2024年第7期9卷 1085-1100页

作者： Bing Chang Zhaojun min Ning liu Nan Wang Maohong Fan Jing Fan Jianji Wang School of Environment Key Laboratory of Yellow River and Huai River Water Environment and Pollution Control Ministry of Education Henan Normal University School of Chemistry and Chemical Engineering Key Laboratory of Green Chemical Media and Reactions Ministry of Education Henan Normal University College of Engineering and Physical Sciences and School of Energy Resources University of Wyoming College of Engineering Georgia Institute of Technology

While carbon dioxide （CO2） is a major greenhouse gas,it is also an important C1 *** the trend of energy conservation and emission reduction,electrocatalytic reduction has become a very promising strategy for CO2utilization because it can convert CO2directly to high-valued chemicals and fuels under mild *** particular,the product CO and by-product H2can be combined into syngas by an electrocatalytic CO2reduction reaction （CO2RR） in an aqueous *** molar ratios of CO and H2may be used to produce essential bulk chemicals or liquid fuels such as methanol,alkanes,and olefins through thermochemical catalysis,Fischer–Tropsch synthesis,microbial fermentation,and other *** work discusses the latest strategies in controlling the molar ratio of CO/H2and improving the yield of *** challenges of electrocatalytic syngas production are analyzed from an industrial application perspective,and the possible measures to overcome them are proposed in terms of new catalyst design,electrolyte innovation,flow reactor optimization,anodic reaction coupling,and operando technique application.

关键词： Electrocatalysis CO 2 reduction Syngas Electrolyte Electrolyzer

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Regioselective and asymmetric allylic alkylation of vinyl epoxides for the construction of allylic alcohols via synergistic catalysis

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Science China Chemistry 2024年第2期67卷 542-550页

作者： min Chen Longqing Yang Yuzhen Li Yinhe Qu Guihua Pan Xiaoming Feng Xiaohua liu Key Laboratory of Green Chemistry&Technology Ministry of EducationCollege of ChemistrySichuan UniversityChengdu610064China

A highly efficient asymmetric allylic alkylation of cyclic and acyclic carbon nucleophiles with vinyl epoxides has been developed,which exhibits good functional group compatibility,high atomic and step *** protocol utilizes a strategy of synergistic catalysis with a chiral N,N'-dioxide/Ni~Ⅱ complex and an achiral Pd~0 catalyst,generating a series of multisubstituted allylic alcohols with a quaternary carbon stereocenter in high yield and excellent regio-,Z/E-and enantioselectivity under mild *** transformations of the product demonstrate the potential utility of this protocol in the synthesis of allyl alcohol derivatives and natural product *** studies revealed that the N,N′-dioxide/metal complexes play an important role in controlling the Z/E-and *** density functional theory(DFT) calculations further demonstrated that multiple C–H···π interactions between the aromatic rings of the two substrates and the amide moiety in the ligand stabilized the dominant transition state.

关键词： asymmetric allylic alkylation synergistic catalysis vinyl epoxides allyl alcohol multiple weak interactions

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Efficient stochastic parallel gradient descent training for on-chip optical processor

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Opto-Electronic Advances 2024年第4期7卷 5-15页

作者： Yuanjian Wan Xudong liu Guangze Wu min Yang Guofeng Yan Yu Zhang Jian Wang Wuhan National Laboratory for Optoelectronics and School of Optical and Electronic Information Huazhong University of Science and TechnologyWuhan 430074China Optics Valley Laboratory Wuhan 430074China

In recent years,space-division multiplexing(SDM)technology,which involves transmitting data information on multiple parallel channels for efficient capacity scaling,has been widely used in fiber and free-space optical communication *** enable flexible data management and cope with the mixing between different channels,the integrated reconfig-urable optical processor is used for optical switching and mitigating the channel ***,efficient online train-ing becomes intricate and challenging,particularly when dealing with a significant number of *** we use the stochastic parallel gradient descent(SPGD)algorithm to configure the integrated optical processor,which has less com-putation than the traditional gradient descent(GD)*** design and fabricate a 6×6 on-chip optical processor on silicon platform to implement optical switching and descrambling assisted by the online training with the SPDG ***,we apply the on-chip processor configured by the SPGD algorithm to optical communications for optical switching and efficiently mitigating the channel crosstalk in SDM *** comparison with the traditional GD al-gorithm,it is found that the SPGD algorithm features better performance especially when the scale of matrix is large,which means it has the potential to optimize large-scale optical matrix computation acceleration chips.

关键词： optical communications optical signal processing channel descrambling optical neural network chip silicon photonics

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Directly targeting BAX for drug discovery:Therapeutic opportunities and challenges

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Acta Pharmaceutica sinica B 2024年第6期14卷 2378-2401页

作者： Zhenwei Zhang Linghui Hou Dan liu Shenglin Luan min Huang Linxiang Zhao Key Laboratory of Structure-Based Drugs Design&Discovery of ministry of Education Shenyang Pharmaceutical UniversityShenyang 110016China China Resources Sanjiu Medical&Pharmaceutical Co. Ltd.Shenzhen 518000China

For over two decades,the development of B-cell lymphoma-2(Bcl-2)family therapeutics has primarily focused on anti-apoptotic proteins,resulting in the first-in-class drugs called BH3 mimetics,especially for Bcl-2 inhibitor *** pro-apoptotic protein Bcl-2-associated X protein(BAX)plays a crucial role as the executioner protein of the mitochondrial regulated cell death,contributing to organismal development,tissue homeostasis,and *** dysregulation of BAX is closely associated with the onset and progression of diseases characterized by pathologic cell survival or death,such as cancer,neurodegeneration,and heart *** addition to conducting thorough investigations into the physiological modulation of BAX,research on the regulatory mechanisms of small molecules identified through biochemical screening approaches has prompted the identification of functional and potentially druggable binding sites on BAX,as well as diverse all-molecule BAX *** review presents recent advancements in elucidating the physiological and pharmacological modulation of BAX and in identifying potentially druggable binding sites on ***,it highlights the structural and mechanistic insights into small-molecule modulators targeting diverse binding surfaces or conformations of BAX,offering a promising avenue for developing next-generation apoptosis modulators to treat a wide range of diseases associated with dysregulated cell death by directly targeting BAX.

关键词： Apoptosis Pro-apoptotic protein BAX Dynamic conformational activation Small-molecule apoptosis modulators

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Effects of soil metal(loid)s pollution on microbial activities and environmental risks in an abandoned chemical smelting site

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Journal of Environmental Sciences 2024年第9期143卷 60-70页

作者： Hao Li Jun Yao Jianli liu Ning min Geoffrey Sunahara Dongyang Men Robert Duran School of Water Resources and Environment Research Center of Environmental Science and EngineeringChina University of Geosciences(Beijing)Beijing 100083China Department of Natural Resource Sciences McGill University21111Lakeshore DriveSte-Anne-de-BellevueQuebecH9X 3V9Canada Equipe Environnement et Microbiologie MELODY groupUniversitéde Pau et des Pays de l’AdourE2S-UPPAIPREM UMR CNRS 5254BP 115564013 Pau CedexFrance

Abandoned chemical smelting sites containing toxic substances can seriously threaten and pose a risk to the surrounding ecological *** samples were collected from different depths(0 to 13 m)and analyzed for metal(loid)s content and fractionation,as well as microbial *** potential ecological risk indices for the different soil depths(ordered from high to low)were:1 m(D-1)>surface(S-0)>5 m(D-5)>13 m(D-13)>9 m(D-9),ranging between 1840.65-13,089.62,and representing extremely high environmental risks,of which Cd(and probably not arsenic)contributed to the highest environmental risk.A modified combined pollution risk index(MCR)combining total content and mobile proportion of metal(loid)s,and relative toxicities,was used to evaluate the degree of contamination and potential environmental *** the near-surface samples(S-0 and D-1 layers),the MCR considered that As,Cd,Pb,Sb,and Zn achieved high and alarming degrees of contamination,whereas Fe,Mn,and Ti were negligible or low to moderate pollution *** microcalorimetry and enzymatic activity measurements of contaminated soil samples were used to assess the microbial metabolic activity *** analysis elucidated the relationship between metal(loid)s exchangeable fraction or content and microbial activity characteristics(psidered sensitive indicators to reflect the soil microbial activities in abandoned chemical smelting sites.

关键词： Abandoned chemical smelting sites Microbial activities Modified combined pollution risk Microcalorimetry Enzymatic activities

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Revisiting the island of hexadecapoledeformation nuclei in the A≈150 mass region:focusing on the model application to nuclear shapes and masses

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Communications in Theoretical Physics 2024年第2期76卷 74-88页

作者： Xiao-Yang Wei Hua-Lei Wang Zhen-Zhen Zhang min-Liang liu School of Physics and Microelectronics Zhengzhou UniversityZhengzhou 450001China Key Laboratory of High Precision Nuclear Spectroscopy Institute of Modern PhysicsChinese Academy of SciencesLanzhou 730000China School of Nuclear Science and Technology University of Chinese Academy of SciencesBeijing 100049China

Based on the potential-energy-surface calculation,the impact of different deformation degrees of freedom on a single-particle structure and binding energies in nuclei around^(152)Nd,located on one of the hexadecapole-deformation islands,is analyzed in a multi-dimensional deformation *** energy maps,curves and tables are presented to indicate nuclear *** calculated equilibrium deformations and binding energies with different potential parameters are compared with experimental data and other *** is found that the inclusion of the hexadecapole deformations,especially the axial one,can improve the theoretical description of both nuclear shapes and *** addition,our calculated potential-energy curve shows that a critical deformation-point,β_(2)≈0.4,exists—the triaxial(hexadecapole)deformation effect can be neglectable but the hexadecapole(triaxial)one plays an important role before(after)such a critical point.

关键词： hexadecapole deformation binding energy potential-energy-surface calculation nuclear property

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Hydrodynamic characteristics and particle tracking of 90° lateral intakes at an inclined river slope

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Water Science and Engineering 2024年第2期17卷 197-208页

作者： Wei He si-yuan Feng Jian Zhang Hong-wu Tang Yang Xiao Sheng Chen Chun-sheng liu College of Water Conservancy and Hydropower Engineering Hohai UniversityNanjing 210098China State Key Laboratory of Hydrology Water Resources and Hydraulic Engineering Hohai UniversityNanjing 210098China Collaborative Innovation Center on Water Safety and Water Science Hohai UniversityNanjing 210098China

Lateral intakes are common in *** pump effciency and sediment deposition are determined by the local hydrodynamic characteristics and mainstream division *** hydraulic characteristics of lateral withdrawal from inclined river slopes at different intake elevations should be ***,the division width exhibits significant vertical non-uniformity at an inclined river slope,which should be ***,a three-dimensional(3-D)hydrodynamic and particle-tracking model was developed with the Open Source Field Operation and Manipulation(Open FOAM),and the model was validated with physical model tests for 90°lateral withdrawal from an inclined side *** flow fields,withdrawal sources,and division widths were investigated with different intake bottom elevations,withdrawal discharges,and main channel *** study showed that under inclined side bank conditions,water entered the intake at an oblique angle,causing significant 3-D spiral flows in the intake rather than two-dimensional closed recirculation.A lower withdrawal discharge,a lower bottom elevation of the intake,or a higher main channel velocity could further strengthen this *** average division width and turbulent kinetic energy were smaller under inclined side bank conditions than under vertical bank *** a low intake bottom elevation,a low withdrawal discharge,or a high main channel velocity,the sources of lateral withdrawal were in similar ranges near the local inclined bank in the vertical *** inclined slope conditions,sediment deposition near the intake entrance could be reduced,compared to that under vertical slope *** results provide hydrodynamic and sediment references for engineering designs for natural rivers with inclined terrains.

关键词： Lateral withdrawal Hydrodynamic characteristics Particle tracking Inclined river slope Bottom elevation of intake OpenFOAM

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A new TiO_(2) nanorods/MoTe_(2) quantum dots/Al_(2)O_(3) composite photocatalyst for efficient photoelectrochemical water splitting under simulated sunlight

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Frontiers of Materials Science 2024年第2期18卷 61-74页

作者： Jie Meng Hongmei liu Sainan Zhang Baogui Ye min Feng Daoai Wang School of Chemistry and Chemical Engineering Lanzhou Jiaotong UniversityLanzhou 730000China State Key Laboratory of Solid Lubrication Lanzhou Institute of Chemical PhysicsChinese Academy of SciencesLanzhou 730000China Qingdao Centerof Resource Chemistry and New Materials Qingdao 266100China Shandong Laboratory of Advanced Materials and Green Manufacturing at Yantai Yantai 265503China

The solar-to-hydrogen conversion using the photoelectrochemical(PEC)method is a practical approach to producing clean ***,it relies on the availability of photocatalyst *** this work,a novel photocatalyst comprising molybdenum telluride quantum dots(MoTe_(2) QDs)-modified titanium dioxide nanorods(TiO_(2) NRs)was prepared for the enhancement of the PEC water splitting performance after combination with a Al_(2)O_(3) layer using the atomic layer deposition(ALD)***_(2) QDs were initially prepared,and then they were loaded onto TiO_(2) NRs using a warm water bath-based heating *** a layer of Al_(2)O_(3) was deposited onto resulted TiO_(2) NRs/MoTe_(2) QDs,the composite TiO_(2) NRs/MoTe_(2) QDs/Al_(2)O_(3) was finally *** simulated sunlight(100 mW·cm^(-2)),such a composite exhibited a maximum photocurrent density of 2.25 mA·cm^(-2) at 1.23 V(versus RHE)and an incident photon-to-electron conversion efficiency of 69.88%at 380 nm,which are 4.33 and 6.66 times those of pure TiO_(2) NRs,***,the composite photocatalyst fabricated in this work may have promising application in the field of PEC water splitting,solarcells andotherphotocatalyticdevices.

关键词： MoTe_(2)quantum dot TiO_(2)nanorod Al_(2)O_(3) atomic layer deposition photoelectrochemistry

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