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Design method of extractant for liquid-liquid extraction based on elements and chemical bonds

Chinese Journal of Chemical Engineering 2024年第4期68卷 193-202页

作者： Yuwen Wei Chunling Zhang Yue Zhang Lili Wang Li Xia Xiaoyan sun Shuguang xiang Institute of Process System Engineering College of Chemical EngineeringQingdao University of Science and TechnologyQingdao 266042China Yantai Guobang Chemical Machinery Technology Co. Ltd.Yantai 264002China

In the petrochemical industry process, the relative volatility between the components to be separated is close to one or the azeotrope that systems are difficult to separate. Liquid-liquid extraction is a common and effective separation method, and selecting an extraction agent is the key to extraction technology research. In this paper, a design method of extractants based on elements and chemical bonds was proposed. A knowledge-based molecular design method was adopted to pre-select elements and chemical bond groups. The molecules were automatically synthesized according to specific combination rules to avoid the problem of “combination explosion” of molecules. The target properties of the extractant were set, and the extractant meeting the requirements was selected by predicting the correlation physical properties of the generated molecules. Based on the separation performance of the extractant in liquid-liquid extraction and the relative importance of each index, the fuzzy comprehensive evaluation membership function was established, the analytic hierarchy process determined the mass ratio of each index, and the consistency test results were passed. The results of case study based on quantum chemical analysis demonstrated that effective determination of extractants for the analysis of benzene-cyclohexane systems. The results unanimously prove that the method has important theoretical significance and application value.

关键词： Molecular design Element and chemical bonds Molecular simulation Thermodynamics Solvent extraction

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Dynamically switchable porphyrin-based molecular tweezer for on-off fullerene recognition

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Chinese Chemical Letters 2024年第6期35卷 283-287页

作者： Zhimin sun Xin-Hui Guo Yue Zhao Qing-Yu meng Li-Juan Xing He-Lue sun College of Chemistry and Materials Science Hebei Key Laboratory of Organic Functional MoleculesHebei Normal UniversityShijiazhuang 050024China

Herein,a novel molecular tweezer based on 2,2'-bipyridine-bridged porphyrin subunits was constructed for efficient fullerenes *** syn conformation of the molecule,which was obtained by Zn(Ⅱ)coordination,gives rise to a proper cavity to interact with fullerene guests to form a stable 1:1 complex in toluene *** exhibits distinct binding selectivity towards C_(60)over C_(70).Moreover,the fullerene recognition capacity can be adequately suppressed by importing H_(2)PO_(4)^(-)to competitively capture Zn(Ⅱ)along with syn-anti conformational ***,the molecular tweezer regenerated to bind the fullerene by introducing the Ca^(2+)into the ***,the association-disassociation process can be switched reversibly and repeatedly.

关键词： Molecular tweezer Fullerene recognition Supramolecular chemistry Conformation conversion Coordination

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A time-dependent luminescent phosphor of Na_(2)Ba_(2)Si_(2)O_(7):Eu for multi-level encryption and dynamic information display

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Journal of Advanced Ceramics 2024年第4期13卷 429-436页

作者： Jie Shao Xiyang Li meng Liu Haiqin sun Qiwei Zhang Dengfeng Peng Fuchi Liu College of Physics and Technology Guangxi Normal UniversityGuilin 541004China Guangxi Key Laboratory of Nuclear Physics and Technology Guangxi Normal UniversityGuilin 541004China Key Laboratory of Optoelectronic Devices and Systems of Ministry of Education and Guangdong Province College of Physics and Optoelectronic EngineeringShenzhen UniversityShenzhen 518060China

Photo-stimuli responsive materials show great potential in the fields of information encryption and storage due to their distinctive spatial or temporal color ***,the conventional single or multi-color static outputs by light stimulus difficulty meet practical requirements for high-security optical storage ***,a novel dynamic irradiation-responsive phosphor of Na_(2)Ba_(2)Si_(2)O_(7):Eu is demonstrated,exhibiting high storage stability and convenient readout *** inherent Eu^(2+)luminescence can be dynamically tuned,instantly read out,and conveniently erased by controlling irradiation duration of a portable diode laser(365 nm).The modulation mechanism is unraveled by optically induced oxidation reactions of Eu^(2+)→Eu^(3+)and defects as killer *** excellent luminescence modulation degree(ΔR_(t)=89.5%)and the accompanying larger color contrast enable the creation of invisible optical codes with multi-level encryption in bright or dark *** results indicate potential applications of Na_(2)Ba_(2)Si_(2)O_(7):-based materials in information encryption and invisible optical storage,and are expected to expand more investigations on optically induced PL modulation behaviors based on mixed valences and defects.

关键词： light irradiation luminescent modulation invisible optical storage

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Estimation-free spatial-domain image reconstruction of structured illumination microscopy

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Journal of Innovative Optical Health Sciences 2024年第2期17卷 45-58页

作者： Xiaoyan Li Shijie Tu Yile sun Yubing Han xiang Hao Cuifang kuang Xu Liu State Key Laboratory of Extreme Photonics and Instrumentation College of Optical Science and Engineering Zhejiang University Hangzhou 310027P.R.China ZJU-Hangzhou Global Scientific and Technological Innovation Center Hangzhou 311200 P.R.China Collaborative Innovation Center of Extreme Optics Shanxi University TaiyuanShanxi 030006P.R.China A dvanced Biomedical Imaging Facility-Wuhan National Laboratory for Optoelectronics Huazhong University of Science and Technology WuhanHubei 430074P.R.China

Structured illumination microscopy(SIM)achieves super-resolution(SR)by modulating the high-frequency information of the sample into the passband of the optical system and subsequent image *** traditional Wiener-filtering-based reconstruction algorithm operates in the Fourier domain,it requires prior knowledge of the sinusoidal illumination patterns which makes the time-consuming procedure of parameter estimation to raw datasets necessary,besides,the parameter estimation is sensitive to noise or aberration-induced pattern distortion which leads to reconstruction ***,we propose a spatial-domain image reconstruction method that does not require parameter estimation but calculates patterns from raw datasets,and a reconstructed image can be obtained just by calculating the spatial covariance of differential calculated patterns and differential filtered datasets(the notch filtering operation is performed to the raw datasets for attenuating and compensating the optical transfer function(OTF)).Experiments on reconstructing raw datasets including nonbiological,biological,and simulated samples demonstrate that our method has SR capability,high reconstruction speed,and high robustness to aberration and noise.

关键词： Structured illumination microscopy image reconstruction spatial domain digital micromirror device(DMD)

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Enhanced cyclic stability of partially disordered spinel cathodes through direct fluorination with gaseous fluorine

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Rare Metals 2024年第4期43卷 1635-1646页

作者： Yong-Nian Ma Ling-Chen Kong Shao-Shan Chen Yong Wang Li-Dong sun Cong Peng meng-meng Qin Yu Li Wei Feng Tianjin Key Laboratory of Composite and Functional Materials School of Materials Science and EngineeringTianjin UniversityTianjin300072China Institute of Advanced Technology and Equipment Beijing University of Chemical TechnologyBeijing100029China

Spinel-type cathodes are considered an optimal substitute for conventional layered oxide cathodes owing to their use of inexpensive and earth-abundant manganese as the redox-active ***,the introduction of cation disorder can effectively suppress the detrimental two-phase reaction to realize high capacities in a wide voltage ***,the continuous capacity decay during cycles has hindered the widespread application of these cathode *** fluorides exhibit excellent electrochemical stability at high voltage;therefore,in this study,the direct F2 gas reaction with a partially disordered spinel cathode(Li_(1.6)Mn_(1.6)O_(3.7)F_(0.3,)LMOF1.6)was initially applied to investigate the impacts of fluorination on the surface structure and electrochemical *** inorganic fluorinated layer,mainly containing LiF,was distributed uniformly on the surface of LMOF1.6nanoparticles after fluorination for an appropriate time without the turbulence caused by the valency of manganese cation,which improved the capacity retention and rate capability by the suppression of structural damage,parasitic reaction,and cation *** LMOF1.6cathode fluorinated for 0.5 h exhibited a capacity of283.6 mAh·g^(-1)at 50 mA·g^(-1)and an enhanced capacity retention of 29.6%after 50 cycles in the voltage range of1.5-4.8 V,as compared to the pristine LMOF1.6 with only27.9%capacity retention.

关键词： Spinel-type cathodes Direct fluorination Capacity retention ability High rate capability

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Feasible Synthesis of N,O-Bidentate Difluoroboron Chromophores through Direct Functionalization of Quinoxalin-2(1H)-ones with Ketones in One Shot

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Chinese Journal of Chemistry 2024年第13期42卷 1481-1486页

作者： Shuaichen Zhang Jing Zhang xiang Ling Yifan Zhao Yue Ma Peng sun State Key Laboratory for Quality Ensurance and Sustainable Use of Dao-di Herbs Artemisinin Research Center and Institute of Chinese Materia MedicaChina Academy of Chinese Medical SciencesBeijing 100700China Department of Pharmaceutics School of PharmacyChina Pharmaceutical UniversityState Key Laboratory of Natural MedicinesNanjingJiangsu 210009China

Organic difluoroboron complexes are a kind of potential platforms for a wide range of applications owing to their excellent photophysical ***,we have explored a simple and direct synthesis methodology for a library of N,O-bidentate difluoroboron complexes from quinoxalin-2(1H)-ones and ketones in one *** photophysical properties of the generated complexes were evaluated and the application potential of these compounds on subcellular imaging was also explored.

关键词： N,O-Bidentate difluoroboron Chromophores Quinoxalin-2(1H)-ones Ketones/Green chemistry Synthetic method C-CcouplingI Boron

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Cost-effective fabrication of liquid metals via a laser induced graphene stamp for highly-stretchable integrated optoelectronics

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Nano Research 2024年第8期17卷 7603-7613页

作者： Weiqi sun Li xiang Zebang Luo Hui Wang Dong Li Anlian Pan College of Materials Science and Engineering Hunan UniversityChangsha 410082China

Stretchable electronics have found widespread applications in various fields such as wearable electronics,soft robots,and *** an important promising alternative of traditional rigid conductors,liquid metals have demonstrated immense potential to provide high conductivity and stretchability for the stretchable electronic ***,limited by their fluidity and high surface tension,challenges remain in achieving liquid metal patterns with low-cost,high-precision,large-scale,and complex ***,a fabrication technique was proposed based on laser-induced graphene(LIG)stamps to enable liquid metal self-selectively adhere to *** metal patterns could thus be achieved in different designed geometries and could be transferred onto stretchable *** liquid metal patterns exhibit exceptional electrical conductivity(3.24×10^(6)S/m even under 1000%strain),high stretchability(1000%strain,maximum of 2500%),small resistance changes under significant deformations(with a quality factor of 62.5 under 1000%strain),and high resolution(down to 50μm).Utilizing the patterned liquid metals,a stretchable integrated multifunctional optoelectronic system was demonstrated,encompassing a stretchable display matrix,a pressure sensor array,a wireless powering coil,and cardiovascular sensors,which further highlight the remarkable application potential of liquid metals in optoelectronic user-interaction and advanced physiological monitoring.

关键词： liquid metal wettability selective adhesion transfer printing stretchable electronics

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Boosting zinc anode durability through synergistic inner Helmholtz plane and interfacial electric field regulation

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Science Bulletin 2024年第13期69卷 2025-2029页

作者： Hao Tan Chao meng Tong sun Xing-Long Wu Hong Liu Jian-Jun Wang State Key Laboratory of Crystal Materials Shandong UniversityJinan 250100China College of Chemistry and Chemical Engineering Qingdao UniversityQingdao 266071China MOE Key Laboratory for UV Light-Emitting Materials and Technology Department of PhysicsNortheast Normal UniversityChangchun 130024China Jinan Institute of Quantum Technology Jinan BranchHefei National LaboratoryJinan 250101China Shenzhen Research Institute Shandong UniversityShenzhen 518057China

As the need for energy storage devices escalates,aqueous zincion batteries(ZIBs)have risen as a promising alternative to the widely used Li-ion batteries,offering intrinsic safety,environmental compatibility,and cost advantages,positioning them as attractive energy storage systems for the future[1,2].However,challenges such as dendrite growth on Zn anodes,stemming from uneven electric fields on the surface and active water side reactions,compromise cycling stability and lifespan,posing significant hurdles for the practical application of ZIBs[3,4].To mitigate these issues,strategies like electrolyte optimization,artificial solid electrolyte interphase(SEI)layers,and current collector modifications have been proposed[5,6].Nevertheless,most long-cycle experiments are conducted at low current densities and deposition capacities,with high current density and capacity operations typically lasting less than 1000 h[7].

关键词： electrolyte durability offering

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Effect of safety valve types on the gas venting behavior and thermal runaway hazard severity of large-format prismatic lithium iron phosphate batteries

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Journal of Energy Chemistry 2024年第2期89卷 195-207,I0006页

作者： Zhuangzhuang Jia Yuanyuan Min Peng Qin Wenxin Mei xiangdong meng Kaiqiang Jin Jinhua sun Qingsong Wang State Key Laboratory of Fire Science University of Science and Technology of ChinaHefei 230026AnhuiChina Gotion High-Tech Co. Ltd.Hefei 230012AnhuiChina

The safety valve is an important component to ensure the safe operation of lithium-ion batteries(LIBs).However,the effect of safety valve type on the thermal runaway(TR)and gas venting behavior of LIBs,as well as the TR hazard severity of LIBs,are not *** this paper,the TR and gas venting behavior of three 100 A h lithium iron phosphate(LFP)batteries with different safety valves are investigated under *** to previous studies,the main contribution of this work is in studying and evaluating the effect of gas venting behavior and TR hazard severity of LFP batteries with three safety valve *** significant results are obtained:(Ⅰ)the safety valve type dominates over gas venting pressure of battery during safety venting,the maximum gas venting pressure of LFP batteries with a round safety valve is 3320 Pa,which is one order of magnitude higher than other batteries with oval or cavity safety valve;(Ⅱ)the LFP battery with oval safety valve has the lowest TR hazard as shown by the TR hazard assessment model based on gray-fuzzy analytic hierarchy *** study reveals the effect of safety valve type on TR and gas venting,providing a clear direction for the safety valve design.

关键词： Lithium iron phosphate battery Safety valve Thermal runaway Gas venting behavior Thermal runaway hazard severity Gray-fuzzy analytic hierarchy process

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Construction of shallow buried large-span metro stations using the small pipe roof-beam method

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Frontiers of Structural and Civil Engineering 2024年第1期18卷 122-136页

作者： Qian BAI Wen ZHAO Yingda ZHANG Pengjiao JIA xiangrui meng Bo LU Xin WANG Dazeng sun School of Resources and Civil Engineering Northeastern UniversityShenyang 110819China Centre for Infrastructure Engineering and Safety School of Civil and Environmental EngineeringThe University of New South WalesNSW 2052Australia School of Rail Transportation Soochow UniversitySuzhou 215131China China Northeast Architectural Design and Research Institute Co. Ltd.Shenyang 110006China

In relation to the Shifu Road Station project on Line 4 of the Shenyang Metro in China,a small-pipe roof-beam method for constructing subway stations is ***,a numerical simulation was performed to optimize the supporting parameters of the proposed method and determine the design ***,the deformation of the pipe roof and surface settlement during the construction process were ***,the surface settlement attributed to the excavation was studied through field monitoring,and the proposed method was compared with other *** results show that an increase in the pipe-roof spacing has little effect on the surface settlement and piperoof *** bearing capacity of the pipe roof can be efficiently utilized once the flexural stiffness reaches 2EI,and the flexural stiffness is not the dominant factor controlling the *** essential stages in controlling surface settlement are the excavations of the transverse pilot tunnels and the soil between *** final settlement value of the ground was 24.1 mm,resulting in a reduction in the construction period by at least five months while satisfying the control requirements.

关键词： subway station pipe-roof method surface settlement simulation on-site monitoring

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