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Guest-adaptive chiral coassembly of a conformationally locked host into supramolecular boxes and ladders through arene-perfluoroarene force

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Science China Chemistry 2024年第10期67卷 3482-3492页

作者： Weilong Ma Xinyi li Aiyou hao Pengyao xing School of Chemistry and Chemical Engineering Shandong UniversityJinan 250100China

Unveiling the role of weak non-covalent forces in chiral self-assembly is pivotal in the design and fabrication of functional chiroptical *** nature of arene-perfluoroarene(AP)force is the electrostatic attraction betweenπ-hole andπplanes of perfluoroarenes and polyaromatic hydrocarbons(PAHs),which is emerging in constructing supramolecular motifs and coassembled optical *** this work,we reveal the potential of AP forces in building diversified levels of chiral coassemblies adaptive to the geometries of *** naphthalene-F8was covalently conjugated with a chiral amine,which folded into a semi-rectangular geometry via two intramolecular F···H *** of naphthalene,anthracene,pyrene,carbazole,perylene and benzoperylene were introduced to afford coassemblies in the crystalline state.X-ray structures suggest the formation of supramolecular boxes that encapsulate the PAHs with a 2:1 stoichiometric ratio,as well as the formation of consecutive layered ladders with a 1:1 stoichiometric *** preference is adaptive to the geometries of PAHs,and experimental and computational results evidenced the ladder structures possess strong binding *** this top,the selective chiral recognition in the mixtures of PAHs was realized,which shows promising applications in the separation of PAHs and rational design of crystalline chiroptical materials.

关键词： arene-perfluoroarene force coassembly supramolecular chirality selectivity

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Large-disturbance Stability Analysis of Power Systems with Synchronous Generator and Converter-interfaced Generation

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Journal of Modern Power Systems and Clean Energy 2024年第3期12卷 997-1002页

作者： Lei Chen Yong Min liangshuai hao Guangzheng xing Yalou li Shiyun Xu Department of Electrical Engineering Tsinghua UniversityBeijing 100084China China Electric Power Research Institute Beijing 100192China

This letter studies large-disturbance stability of the power system with a synchronous generator(SG)and a converter-interfaced generation(CIG)connected to infinite *** power system is multi-timescale and first *** is shown that the boundary of region of attraction(ROA)of the simplified model is composed of stable manifolds of unstable equilibrium point(UEP)or semi-singular point(SSP),named anchor points,and singular surface *** type of anchor point determines the dominant instability pattern of the power *** the anchor point is UEP or SSP,the dominant instability pattern is the instability of rotor angle of SG or the instability of phase-locked loop and outer control loop(OCL)of CIG,*** of dominant instability pattern can be analyzed with the relative position relationship between UEP and *** effect of OCL is *** the OCL is activated,the ROA becomes smaller and the system is more prone to instability of *** is necessary to consider the OCL when studying the large-disturbance stability of the power system.

关键词： Converter-interfaced generation large-disturbance stability outer control loop phase-locked loop synchronous generator voltage source converter

Adjustment mechanism of blasting dynamic-static action in the water decoupling charge

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International Journal of Mining Science and Technology 2024年第6期34卷 821-836页

作者： hao Zhang Xueyang xing Yiteng Du Tingchun li Jianxin Yu Qingwen Zhu College of Civil Engineering and Architecture Shandong University of AeronauticsBinzhou 256600China Shandong Key Laboratory of Civil Engineering Disaster Prevention and Mitigation Shandong University of Science and TechnologyQingdao 266590China School of Civil Engineering Henan Polytechnic UniversityJiaozuo 454003China

Water decoupling charge blasting excels in rock breaking,relying on its uniform pressure transmission and low energy *** water decoupling coefficients can adjust the contributions of the stress wave and quasi-static ***,the quantitative relationship between the two contributions is unclear,and it is difficult to provide reasonable theoretical support for the design of water decoupling *** this study,a theoretical model of blasting fracturing partitioning is *** mechanical mechanism and determination method of the optimal decoupling coefficient are *** reliability is verified through model experiments and a field *** results show that with the increasing of decoupling coefficient,the rock breaking ability of blasting dynamic action decreases,while quasi-static action increases and then *** ability of quasi-static action to wedge into cracks changes due to the spatial adjustment of the blast hole and crushed *** quasi-static action plays a leading role in the fracturing range,determining an optimal decoupling *** optimal water decoupling coefficient is not a fixed value,which can be obtained by the proposed theoretical *** with the theoretical results,the maximum error in the model experiment results is 8.03%,and the error in the field test result is 3.04%.

关键词： Water decoupling blasting Blasting dynamic-static action Optimal decoupling coefficient Adjustment mechanism

Atomic force microscopy-based nanoscale infrared techniques for liquid environments

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Science Bulletin 2024年第2期69卷 151-153页

作者： Jian li Jing liang Mu-hao Lan xing-Hua Xia State Key Laboratory of Analytical Chemistry for life Science School of Chemistry and Chemical EngineeringNanjing UniversityNanjing 210023China

Infrared(IR)light energy matches well with the vibration and rotation of chemical bonds in molecules,hence IR spectroscopy is commonly used for accurate molecular identification[1].Conventional IR analysis involves bulk samples,providing averaged information of the entire *** spatially-resolved investigation of heterogeneous sample properties is constrained by the micrometer-level spatial resolution of optical IR microscopy.

关键词： spatially hence rotation

Investigation of gravity influence on EOR and CO_(2) geological storage based on pore-scale simulation

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Petroleum Science 2024年第2期21卷 987-1001页

作者： Yong-Mao hao Gui-Cheng Wu Zong-Fa li Zhong-Hui Wu Yong-Quan Sun Ran liu xing-xing li Bo-Xin Pang Nan li Key Laboratory of Unconventional Oil&Gas Development(China University of Petroleum(East China)) Ministry of EducationQingdao266580ShandongChina School of Petroleum Engineering China University of Petroleum(East China)Qingdao266580ShandongChina School of Petroleum Engineering Yangtze UniversityWuhan430100HubeiChina Dongsheng Jinggong Petroleum Development Group Co. LtdShengli Oilfield CompanySINOPECDongying257001ShandongChina

Gravity assistance is a critical factor influencing CO_(2)-Oil mixing and miscible flow during EOR and CO_(2)geological *** on the Navier-Stokes equation,component mass conservation equation,and fluid property-composition relationship,a mathematical model for pore-scale CO_(2) injection in oilsaturated porous media was developed in this *** model can reflect the effects of gravity assistance,component diffusion,fluid density variation,and velocity change on EOR and CO_(2) *** nonhomogeneous porous media,the gravity influence and large density difference help to minimize the velocity difference between the main flow path and the surrounding area,thus improving the oil recovery and CO_(2) *** CO_(2) injection angles and oil-CO_(2) density differences can increase the oil recovery by 22.6% and 4.2%,respectively,and increase CO_(2) storage by 37.9% and 4.7%,*** diffusion facilitates the transportation of the oil components from the low-velocity region to the main flow path,thereby reducing the oil/CO_(2) concentration difference within the porous *** diffusion can increase oil recovery and CO_(2) storage by 5.7% and 6.9%,*** addition,combined with the component diffusion,a low CO_(2) injection rate creates a more uniform spatial distribution of the oil/CO_(2) component,resulting in increases of 9.5% oil recovery and 15.7% CO_(2) storage,*** study provides theoretical support for improving the geological CO_(2) storage and EOR processes.

关键词： Gravity Flow simulation CO_(2)-oil mixing Enhanced oil recovery(EOR) Geological storage

Distribution and bioavailability of mercury in size-fractioned atmospheric particles around an ultra-low emission power plant in Southwest China

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Journal of Environmental Sciences 2024年第4期138卷 141-152页

作者： Wei Zhang Jinjuan li hao Qiu xingqiang Guo Zhijun Fei Yi xing Deliang Yin College of Resources and Environmental Engineering Guizhou UniversityGuiyang 550025China College of Resources and Environmental Engineering Guizhou Institute of TechnologyGuiyang 550003China Key Laboratory of Karst Georesources and Environment(Guizhou University) Ministry of EducationGuiyang 550025China School of Energy and Environmental Engineering University of Science&Technology BeijingBeijing 100083China

Ultra-low emission(ULE)technology retrofits significantly impact the particulate-bound mercury(Hg)emissions from coal-fired power plants(CFPPs);however,the distribution and bioavailability of Hg in size-fractioned particulate matter(PM)around the ULE-retrofitted CF-PPs are less ***,total Hg and its chemical speciation in TSP(total suspended particles),PM_(10)(aerodynamic particle diameter≤10μm)and PM_(2.5)(aerodynamic particle diameter≤2.5μm)around a ULE-retrofitted CFPP in Guizhou Province were *** PM_(2.5)concentration was higher around this ULE-retrofitted CFPP than that in the intra-regional urban cities,and it had higher mass Hg concentration than other sizefractioned *** Hg concentrations in PM had multifarious sources including CFPP,vehicle exhaust and biomass combustion,while they were significantly higher in autumn and winter than those in other seasons(P40%).Mass concentrations of exchangeable,HCl-soluble,elemental,and residual Hg in PM_(2.5)were higher than those in other size-fractioned PM,and were markedly elevated in autumn and winter(P<0.05).In PM_(2.5),HCl-soluble Hg presented a significantly positive relationship with elemental Hg(P<0.05),while residual Hg showed the significantly positive relationships with HCl-soluble Hg and elemental Hg(P<0.01).Overall,these results suggested that atmospheric PM-bound Hg around the ULE-retrofitted CFPP tends to accumulate in finer PM,and has higher bioavailable fractions,while has potential transformation between chemical speciation.

关键词： Size-fractioned particles Mercury Chemical speciation Coal-fired power plant Ultra-low emission

Understanding the failure mechanism towards developing high-voltage single-crystal Ni-rich Co-free cathodes

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Green Energy & Environment 2024年第6期9卷 1045-1057页

作者： Jixue Shen Bao Zhang Changwang hao Xiao li Zhiming Xiao Xinyou He xing Ou Engineering Research Center of the Ministry of Education for Advanced Battery Materials School of Metallurgy and EnvironmentCentral South UniversityChangsha410083China Zhejiang Power New Energy Co. Ltd.Zhuji311899China Material Science and Chemistry Engineering College China University of GeosciencesWuhan430074China

Benefited from its high process feasibility and controllable costs,binary-metal layered structured liNi_(0.8)Mn_(0.2)O_(2)(NM)can effectively alleviate the cobalt supply crisis under the surge of global electric vehicles(EVs)sales,which is considered as the most promising nextgeneration cathode material for lithium-ion batteries(liBs).However,the lack of deep understanding on the failure mechanism of NM has seriously hindered its application,especially under the harsh condition of high-voltage without sacrifices of reversible ***,singlecrystal liNi_(0.8)Mn_(0.2)O_(2) is selected and compared with traditional liNi_(0.8)Co_(0.1)Mn_(0.1)O_(2)(NCM),mainly focusing on the failure mechanism of Cofree cathode and illuminating the significant effect of Co element on the li/Ni antisite defect and dynamic ***,the presence of high li/Ni antisite defect in NM cathode easily results in the extremely dramatic H2/H3 phase transition,which exacerbates the distortion of the lattice,mechanical strain changes and exhibits poor electrochemical performance,especially under the high cutoff ***,the reaction kinetic of NM is impaired due to the absence of Co element,especially at the single-crystal ***,the negative influence of li/Ni antisite defect is controllable at low current densities,owing to the attenuated ***,Co-free NM can exhibit better safety performance than that of NCM *** findings are beneficial for understanding the fundamental reaction mechanism of single-crystal Ni-rich Co-free cathode materials,providing new insights and great encouragements to design and develop the next generation of liBs with low-cost and high-safety performances.

关键词： li/Ni antisite defect Dynamic characteristic High-voltage Single-crystal Ni-rich Co-free cathodes lithium-ion batteries

Reinforcement Learning-Based Dynamic Order Recommendation for On-Demand Food Delivery

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Tsinghua Science and Technology 2024年第2期29卷 356-367页

作者： xing Wang ling Wang Chenxin Dong hao Ren Ke xing Department of Automation Tsinghua UniversityBeijing 100080China School of Mechanical and Automotive Engineering Qingdao Hengxing University of Science and TechnologyQingdao 266100China Meituan Beijing 100015China

On-demand food delivery(OFD)is gaining more and more popularity in modern *** a kernel order assignment manner in OFD scenario,order recommendation directly influences the delivery efficiency of the platform and the delivery experience of *** paper addresses the dynamism of the order recommendation problem and proposes a reinforcement learning solution *** actor-critic network based on long short term memory(LSTM)unit is designed to deal with the order-grabbing conflict between different ***,three rider sequencing rules are accordingly proposed to match different time steps of the LSTM unit with different *** test the performance of the proposed method,extensive experiments are conducted based on real data from Meituan delivery *** results demonstrate that the proposed reinforcement learning based order recommendation method can significantly increase the number of grabbed orders and reduce the number of order-grabbing conflicts,resulting in better delivery efficiency and experience for the platform and riders.

关键词： on-demand food delivery order recommendation reinforcement learning actor-critic network long short term memory

Research on the Dynamic Compressibility of Polyurethane Microcellular Elastomer and its Application for Impact Resistance

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Chinese Journal of Polymer Science 2024年第8期42卷 1185-1197页

作者： Zhi-Ying Zhao hao Jiang Xiao-Dong li Xu-Dong Zhang xing Su Mei-Shuai Zou School of Materials Science and Engineering Beijing Institute of TechnologyBeijing 100081China

The packaging materials with cushioning performance are used to prevent the internal contents from being damaged by the impact and vibration of external *** polyurethane microcellular elastomers(PUMEs)can absorb energy through cell collapse and molecular chain *** this study,PUMEs with different densities were investigated by scanning electron microscopy,dynamic mechanical analysis and dynamic compression *** exhibited significant im pact resistance and the maximum peak stress attenuation ratio reached 73.33%.The protective equipment was made by PUME with the optimal density of 600 kg/m^(3),and then the acceleration sensing device installed with the same protective equipment fell from a height of 3,5 and 10 m to evaluate the energy-absorbing property and reusability of *** results showed that PUMEs equipment reduced the peak acceleration of the device by 93.84%,with a maximum deviation of 9%between actual test and simulation,and shortened the impact time of first landing by 57.39%.In addition,the equipment PUMEs equipment could effectively reduce the stress on the protected items.

关键词： Polyurethane microcellular elastomer Impact velocity Stress attenuation ratio Impact resistance