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Numerical Simulation on Production Trials by Using Depressurization for Typical Marine Hydrate Reservoirs:Well Type and Formation Dip

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Journal of Ocean University of China 2024年第3期23卷 661-675页

作者： QIN Fanfan sun Jiaxin GU Yuhang CAO Xinxin MAO Peixiao NING Fulong jiang Guosheng National Center for International Research on Deep Earth Drilling and Resource Development Faculty of EngineeringChina University of GeosciencesWuhan 430074China Laboratory for Marine Mineral Resources Qingdao National Laboratory for Marine Science and TechnologyQingdao 266237China

Natural gas hydrate has huge reserves and is widely distributed in marine *** commercial development is of great significance for alleviating the contradiction between energy supply and *** an efficient research method,numerical simulation can provide valuable insights for the design and optimization of hydrate ***,most of the current production models simplify the reservoir as a two-dimensional(2D)horizontal layered model,often ignoring the impact of formation dip *** improve the accuracy of production prediction and provide theoretical support for the optimization of production well design,two three-dimensional(3D)geological models with different dip angles based on the geological data from two typical sites are *** vertical well,horizontal well and multilateral wells are deployed in these reservoirs with different permeabilities to perform production trial,and the sensitivity analysis of dip angles is also carried *** short-term production behaviors in high and low permeability reservoirs with different dip angles are *** simulation results show that 1)the gas and water production behaviors for different well types in the two typical reservoirs show obviously different variation laws when the short-term depressurization is conducted in the inclined formation;2)the inclined formation will reduce the gas production and increase the water extraction,and the phenomena becomes pronounced as the dip angle increases,particularly in the low-permeability reservoirs;3)and the impact of formation dip on hydrate recovery does not change significantly with the variation of well type.

关键词： natural gas hydrate inclined formation depressurization production well type

Machine learning molecular dynamics simulations of liquid methanol

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中国科学技术大学学报 2024年第6期54卷 12-21,I0009,I0010页

作者： jie Qian Junfan Xia Bin jiang Hefei National Research Center for Physical Sciences at the Microscale Department of Chemical PhysicsUniversity of Science and Techno-logy of ChinaHefei 230026China

As the simplest hydrogen-bonded alcohol,liquid methanol has attracted intensive experimental and theoretical ***,theoretical investigations on this system have primarily relied on empirical intermolecular force fields or ab initio molecular dynamics with semilocal density *** by recent studies on bulk water using increasingly accurate machine learning force fields,we report a new machine learning force field for liquid methanol with a hybrid functional revPBE0 plus dispersion *** dynamics simulations on this machine learning force field are orders of magnitude faster than ab initio molecular dynamics simulations,yielding the radial distribution functions,selfdiffusion coefficients,and hydrogen bond network properties with very small statistical *** resulting structural and dynamical properties are compared well with the experimental data,demonstrating the superior accuracy of this machine learning force *** work represents a successful step toward a first-principles description of this benchmark system and showcases the general applicability of the machine learning force field in studying liquid systems.

关键词： liquid methanol molecular dynamics machine learning hydrogen bond force field

Cryo-EM structure of cannabinoid receptor CB1-β-arrestincomplex

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Protein & Cell 2024年第3期15卷 230-234页

作者： Yuxia Wang Lijie Wu Tian Wang Junlin Liu Fei Li Longquan jiang Zhongbo Fan Yanan Yu Na Chen Qianqian sun Qiwen Tan Tian Hua Zhi-jie Liu iHuman Institute ShanghaiTech UniversityShanghai 201210China School of Life Science and Technology ShanghaiTech UniversityShanghai 201210China Institute of Molecular and Clinical Medicine Kunming Medical UniversityKunming 650500China

Dear Editor,G protein-coupled receptors(GPCRs)play a vital role in regulating almost every aspect of human physiology,making up more than one-third of marketed drug targets(Santos et al.,2017).GPCRs orchestrate their signalling through interactions with three distinct downstream protein families:G proteins,G protein-coupled receptor kinases(GRKs),and arrestins(Santos et al.,2017).While G protein-mediated signalling is initiated upon GPCR stimulation,activated GPCRs return to their basal levels through a GRK-and arrestin-regulated desensitization process(Santos et al.,2017).In addition to modulating receptor desensitization,β-arrestin also regulates downstream events that are distinct from classical G protein signalling(Ahn et al.,2020).

关键词： stimulation return

Design study of charge-stripping scheme of heavy ion beams for HIAF-BRing

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Nuclear Science and Techniques 2024年第5期35卷 30-41页

作者： Jun-jie Zhang Zhi-You Xu Jin-Quan Zhang Wen-Wen Ge Liang-Ting sun Huan-Yu Zhao Institute of Modern Physics Chinese Academy of SciencesLanzhou 730000China School of Nuclear Science and Technology University of Chinese Academy of SciencesBeijing 100049China

Charge strippers play an essential role in heavy-ion accelerators by stripping the projectile ions to higher charge states to enhance the acceleration efficiency downstream of the *** the high-energy mode of the booster ring(BRing)of the high-intensity heavy-ion accelerator facility,the pre-accelerated ions from the iLinac will be stripped by a carbon foil to higher charge states and then injected into the *** key parameters of the stripper and stripped ions were calculated,and the influence of stripping on the beam quality was *** get high stripping efficiencies,the foil thicknesses and resultant charge state distributions for the typical ions were determined by the code *** equilibrium thickness was obtained for the U beam,while the stripper thicknesses for the Xe and Kr beams were determined based on a compromise between the stripped charge states and the stripping *** energy loss,energy straggling,and emittance growth due to stripping have a non-negligible impact on the transport of the stripped beams and the injection of the ***,these parameters were simulated by *** addition,the foil’s temperature evolution,which greatly affects the foil lifetime,was simulated by *** maximum temperature of the foil bombarded by the U and Xe beams with the nominal parameters will exceed the safe value in terms of the impact of evaporation on the foil’s *** the foil temperature constraint,the highest tolerable beam intensity and the injected ion number into the ring were derived for different beam *** results of this paper will present important reference data for the optimization design and commissioning of the beamline and injection to the BRing for the stripped ions.

关键词： High-intensity heavy-ion accelerator facility Charge stripper Energy spread Thermal analysis Emittance growth Injection turns

Lignin-reinforced PVDF electrolyte for dendrite-free quasi-solid-state Li metal battery

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Rare Metals 2024年第3期43卷 1006-1016页

作者： Xin-Yang Chen Xue-jie Gao Han-Yan Wu Yu-Long Liu Xiao-Fei Yang Run-Cang sun Center for Lignocellulosic Chemistry and Biomaterials College of Light Industry and Chemical EngineeringDalian Polytechnic UniversityDalian116034China Division of Energy Storage Dalian National Laboratory for Clean EnergyDalian Institute of Chemical PhysicsChinese Academy of SciencesDalian116023China School of Chemistry Northeast Normal UniversityChangchun130024China

Quasi-solid-state lithium metal batteries(QSSLMBs)assembled with polyvinylidene fluoride(PVDF)are a promising class of next-generation rechargeable batteries due to their safety,high energy density,and superior interfacial ***,PVDF has a series of inherent drawbacks such as low ionic conductivity,ease of crystallization,and hydrophobic character that leading to poor cell *** tackle these issues,a lignin-reinforced PVDF electrolyte is proposed in this work to solve these drawbacks of PVDF and enhance the comprehensive performance of *** lithophilic polar groups of lignin can promote uniform deposition of Li on the *** with the improved mechanical properties can efficiently prevent Li dendrites penetration through the *** addition,more active sites provided by lignin can also enhance Li^(+)transport and lead to a faster electrochemical reaction *** from the ingenious design,Li symmetric cells with 5%lignin-PVDF quasi-solid-state electrolyte can operate for 900 h at a high current density/capacity of 5 mA·cm^(-2)/5 mAh·cm^(-2),while shortcircuiting occurs after 56 h for the counterpart(pure PVDF).Moreover,a full cell of Li/5%lignin-PVDF/LFP cell demonstrates a high capacity of 96.2 mAh·g^(-1)after 2000 cycles at 10 *** work is expected to open up promising opportunities to develop other high-energy/power-density QSSLMBs.

关键词： Quasi-solid-state electrolyte Lignin PVDF Dendrite-free Li metal battery

Construction of core@double-shell structured energetic composites with simultaneously enhanced thermal stability and safety performance

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Defence Technology（防务技术） 2024年第4期34卷 134-142页

作者： Peng Wang Wen Qian Ruolei Zhong Fangfang He Xin Li jie Chen Li Meng Yinshuang sun Guansong He Institute of Chemical Materials China Academy of Engineering PhysicsMianyang 621900China State Key Laboratory of Environment-friendly Energy Materials School of Materials and ChemistrySouthwest University of Science and TechnologyMianyang 621010China

The poor thermal stability and high sensitivity severely hinder the practical application of hexanitrohexaazaisowurtzitane(CL-20).Herein,a kind of novel core@double-shell CL-20 based energetic composites were fabricated to address the above *** coordination complexes which consist of natural polyphenol tannic acid(TA) and Fe~Ⅲ were chosen to construct the inner shell,while the graphene sheets were used to build the outer *** resulting CL-20/TA-Fe~Ⅲ/graphene composites exhibited simultaneously improved thermal stability and safety performance with only 1 wt% double-shell content,which should be ascribed to the intense physical encapsulation effect from inner shell combined with the desensitization effect of carbon nano-materials from outer *** phase transition(ε to γ) temperature increased from 173.70 ℃ of pure CL-20 to 191.87℃ of CL-20/TA-Fe~Ⅲ/graphene ***,the characteristic drop height(H_(50)) dramatically increased from 14.7 cm of pure CL-20 to112.8 cm of CL-20/TA-Fe~Ⅲ/graphene composites,indicating much superior safety performance after the construction of the double-shell *** general,this work has provided an effective and versatile strategy to conquer the thermal stability and safety issues of CL-20 and contributes to the future application of high energy density energetic materials.

关键词： CL-20 Double-shell structure Thermal stability Safety performance Tannic acid Graphene sheets

Intramolecular Hydrogen Bond Improved Durability and Kinetics for Zinc‑Organic Batteries

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Nano-Micro Letters 2024年第3期16卷 138-148页

作者： Tianjiang sun Jun Pan Weijia Zhang Xiaodi jiang Min Cheng Zhengtai Zha Hong Jin Fan Zhanliang Tao Key Laboratory of Advanced Energy Materials Chemistry(Ministry of Education) Renewable Energy Conversion and Storage CenterCollege of ChemistryNankai UniversityHaihe Laboratory of Sustainable Chemical TransformationsTianjin 300071People’s Republic of China School of Physical and Mathematical Sciences Nanyang Technological UniversitySingapore 637371Singapore Shanghai Key Laboratory of Special Artificial Microstructure Materials and Technology School of Physics Science and EngineeringTongji UniversityShanghai 200092People’s Republic of China

Organic compounds have the advantages of green sustainability and high designability,but their high solubility leads to poor durability of zinc-organic ***,a high-performance quinone-based polymer(H-PNADBQ)material is designed by introducing an intramolecular hydrogen bonding(HB)*** intramolecular HB(C=O⋯N-H)is formed in the reaction of 1,4-benzoquinone and 1,5-naphthalene diamine,which efficiently reduces the H-PNADBQ solubility and enhances its charge transfer in *** situ ultraviolet-visible analysis further reveals the insolubility of H-PNADBQ during the electrochemical cycles,enabling high durability at different current ***,the H-PNADBQ electrode with high loading(10 mg cm^(-2))performs a long cycling life at 125 mA g^(-1)(>290 cycles).The H-PNADBQ also shows high rate capability(137.1 mAh g^(−1)at 25 A g^(−1))due to significantly improved kinetics inducted by intramolecular *** work provides an efficient approach toward insoluble organic electrode materials.

关键词： Zn-organic batteries H-PNADBQ polymer Intramolecular hydrogen bond Reduced solubility Improvedπ-conjugated level

Aggregation-induced T_(1)/T_(2) contrast enhancement for magnetic resonance imaging-guided intraoperative surgery

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Science China Chemistry 2024年第6期67卷 2046-2055页

作者： Wenbo sun Bin Yu Dianshuai Huang Chunhuan jiang Wei Wang Jianhua Liu Zonghua Wang Lehui Lu State Key Laboratory of Electroanalytical Chemistry Changchun Institute of Applied ChemistryChinese Academy of SciencesChangchun130022China College of Chemistry and Chemical Engineering Shandong Sino-Japanese Center for Collaborative Research of Carbon NanomaterialsQingdao Application Technology Innovation Center of Photoelectric Biosensing for Clinical Diagnosis and TreatmentQingdao UniversityQingdao266071China Department of Radiology Second Hospital of Jilin UniversityChangchun130041China

Magnetic resonance imaging(MRI)plays an important role in precision medicine that is hampered by the lack of contrast agents with high efficiency and the ability to translate diagnostic accuracy into therapeutic ***,we demonstrate a DNA-based MRI probe that overcomes previous single-mode enhancement and provides a mechanism of action for aggregationinduced dual-modal MRI signal enhancement.A facile method is developed to produce aggregated T_(1)/T_(2)dual-modal NaGdF_(4):Dy@PDA-DNA(PDA=polydopamine)MRI *** aggregated,this probe can further amplify MRI signal intensity and exhibit improved geometrical and positional stability in *** performance of the NaGdF_(4):Dy@PDA-DNA MRI probe toward MRI-guided preoperative planning and visualization-guided surgery is verified using an orthotopic tumor-bearing mouse *** result shows that the rapid metabolism of the degraded probe leads to the mitigation of long-term toxic ***,the developed high-performance MRI probe is of great significance for enhancing MRI diagnostic accuracy into precision medical therapeutic interventions.

关键词： MRI probe DNA aggregation-induced T_(1)/T_(2)contrast enhancement precision medicine degradable probe

Lignin‐derived carbon with pyridine N‐B doping and a nanosandwich structure for high and stable lithium storage

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Carbon Energy 2024年第8期6卷 232-247页

作者： Dichao Wu Jiayuan Li Yuying Zhao Ao Wang Gaoyue Zhang Jianchun jiang Mengmeng Fan Kang sun Key Lab of Biomass Energy and Material Jiangsu ProvinceNational Engineering Lab for Biomass Chemical UtilizationKey and Open Lab on Forest Chemical EngineeringSFAInstitute of Chemical Industry of Forest ProductsChinese Academy of ForestryNanjingChina jiangsu Co‐Innovation Center of Efficient Processing and Utilization of Forest Resources International Innovation Center for Forest Chemicals and MaterialsCollege of Chemical EngineeringNanjing Forestry UniversityNanjingChina School of Energy and Environment Southeast UniversityNanjingChina Department of Chemistry Tsinghua UniversityBeijingChina Fujian Provincial Key Laboratory of Biomass Low‐Carbon Conversion Academy of Advanced Carbon Conversion TechnologyHuaqiao UniversityXiamenChina Chinese Academy of Sciences Xinjiang Lihua Institute of Technology UrumqiChina

Biomass‐derived carbon is a promising electrode material in energy storage ***,how to improve its low capacity and stability,and slow diffusion kinetics during lithium storage remains a *** this research,we propose a“self‐assembly‐template”method to prepare B,N codoped porous carbon(BN‐C)with a nanosandwich structure and abundant pyridinic N‐B *** nanosandwich structure can increase powder density and cycle stability by constructing a stable solid electrolyte interphase film,shortening the Li^(+)diffusion pathway,and accommodating volume expansion during repeated charging/*** abundant pyridinic N‐B species can simultaneously promote the adsorption/desorption of Li^(+)/PF_(6)^(−)and reduce the diffusion *** BN‐C electrode showed a high lithium‐ion storage capacity of above 1140 mAh g^(−1)at 0.05 A g^(−1)and superior stability(96.5%retained after 2000 cycles).Moreover,owing to the synergistic effect of the nanosandwich structure and pyridinic N‐B species,the assembled symmetrical BN‐C//BN‐C full cell shows a high energy density of 234.7Wh kg^(−1),high power density of 39.38 kW kg−1,and excellent cycling stability,superior to most of the other cells reported in the *** the density functional theory simulation demonstrated,pyridinic N‐B shows enhanced adsorption activity for Li^(+)and PF_(6)^(−),which promotes an increase in the capacity of the anode and cathode,***,the relatively lower diffusion barrier of pyridinic N‐B promotes Li^(+)migration,resulting in good rate ***,this study provides a new approach for the synergistic modulation of a nanostructure and an active site simultaneously to fabricate the carbon electrode material in energy storage devices.

关键词： high cycling stability high energy density lithium‐ion batteries pyridinic N‐B species sandwich structure carbon nanosheet