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Photoinduced copper-catalyzed alkoxyl radical-triggered ring-expansion/aminocarbonylation cascade

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Chinese Chemical Letters 2024年第6期35卷 331-336页

作者： Jing-Qi Tao Shuai Liu Tian-Yu Zhang Hong Xin Xu Yang Xin-Hua Duan Li-Na Guo Department of Chemistry School of ChemistryXi’an Key Laboratory of Sustainable Energy Material Chemistry and Engineering Research Center of Energy Storage Materials and DevicesMinistry of EducationXi’an Jiaotong UniversityXi’an 710049China School of Electrical Engineering Xi’an Jiaotong UniversityXi’an 710049China State Key Laboratory of Applied Organic Chemistry Lanzhou UniversityLanzhou 730000China

A photoinduced copper-catalyzed alkoxyl triggered C-C bond cleavage/aminocarbonylation cascade is *** adjusting the structure of alkoxyl radical precursors,functionalized lactones and ketoamides were synthesized with good yields and excellent functional group tolerance under redox-neutral ***,this protocol enables the integration of lactone fragments with many amine drugs and drug fragments.

关键词： Copper catalysis Ring-expansion Aminocarbonylatioin Macrolactones Keto-amides

A solubility limited pyrene-4,5,9,10-tetraone-based covalent organic framework for high-performance aqueous zinc-organic batteries

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Nano Research 2024年第6期17卷 5095-5103页

作者： Min Cheng Shibing Zheng Tianjiang Sun Diantao Li Weijia Zhang Zhengtai Zha Qiong Sun Jing Tian Kai Zhang Zhanliang Tao Frontiers Science Center for New Organic Matter State Key Laboratory of Advanced Chemical Power SourcesKey Laboratory of Advanced Energy Materials Chemistry(Ministry of Education)Collaborative Innovation Center of Chemical Science and Engineering(Tianjin)Renewable Energy Conversion and Storage CentreNankai UniversityTianjin 300071China Haihe Laboratory of Sustainable Chemical Transformations Tianjin 300192China

Pyrene-4,5,9,10-tetraone(PTO),with a high theoretical capacity of 408 mAh·g^(−1),is a promising candidate for rechargeable aqueous zinc-ion batteries(RAZIBs),but its zincated products during discharge process suffer from high solubility in ***,aβ-ketoenamine-linked two-dimensional(2D)covalent organic framework(COF)based on a 2,7-diaminopyrene-4,5,9,10-tetraone(4KT-BD)monomer and a 2,4,6-trihydroxy-benzene-1,3,5-tricarbaldehyde(Tp)node(4KT-Tp-COF)is synthesized to address the above *** well-designed 4KT-Tp-COF displays low solubility in 3 M Zn(CF3SO3)2 owing to the favorableπ-πstacking as well as extended ***,the ingenious structural design of the active molecule and the long-range ordered nano-channels alter the intramolecular electron distribution,which facilitates the ionic ***,the 4KT-Tp-COF cathode exhibits a stable capacity of 181 mAh·g^(−1)at 0.2 A·g^(−1),superior rate capability of 139 mAh·g^(−1)at 20 A·g^(−1),and a long lifetime of 1000 cycles without capacity loss at 30 A·g^(−1).Even at a low temperature of−20°C,the electrode also performs an ultralong cycling life of 9000 cycles with a capacity of 106 mAh·g^(−1)at 5 A·g^(−1).The comprehensive characterizations of ex-situ analyses together with the theoretical calculations validate that the groups of C=O can contribute highly accessible redox-active sites for Zn^(2+)*** ultra-stable 4KT-Tp-COF cathode provides important insights for designing robust organic electrodes for sustainable and large-scale electrochemical energy storage.

关键词： pyrene-4,5,9,10-tetraone solubility limited covalent organic framework zinc batteries

CFD-PBM coupled modeling of the liquid-liquid dispersion characteristics and structure optimization for Kenics static mixer

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Chinese Journal of Chemical Engineering 2024年第6期70卷 173-188页

作者： Junhai Deng Shilin Lan Juchang Wu Shenghua Du Weidong Liu Luchang Han Yefeng Zhou national&Local United Engineering Research Centre for Chemical Process Simulation and Intensification Chemical Process Simulation and Optimization Engineering Research Center of Ministry of EducationXiangtan UniversityXiangtan 411105China Hunan Haili Chemical industry Company Limited Changsha 410000China

Kenics static mixers(KSM)are extensively used in industrial mixing-reaction processes by virtue of high mixing efficiency,low power homogenization and easy continuous *** liquid droplet size and its distribution and thus revealing the dispersion characteristics are of great significance for structural optimization and process intensification in the *** this work,a computational fluid dynamics-population balance model(CFD-PBM)coupled method is employed to systematically investigate the effects of operating conditions and structural parameters of KSM on droplet size and its distribution,to further reveal the liquid-liquid dispersion *** indicate that higher Reynolds numbers or higher dispersed phase volume fractions increase energy dissipation,reducing Sauter mean diameter(SMD)of dispersed phase droplets and with a shift in droplet size distribution(DSD)towards smaller *** aspect ratios,greater blade twist and assembly angles amplify shear rate,leading to smaller droplet size and a narrower DSD in the smaller *** degree of impact exerted by the aspect ratio is notably ***,mixing elements with different spin enhance shear and stretching *** to the same spin,SMD becomes 3.7-5.8 times smaller in the smaller size range with a significantly narrower *** into account the pressure drop and efficiency in a comprehensive manner,optimized structural parameters for the mixing element encompass an aspect ratio of 1-1.5,a blade twist angle of 180°,an assembly angle of 90°,and interlaced assembly of adjacent elements with different *** work provides vital theoretical underpinning and future reference for enhancing KSM performance.

关键词： CFD Population balance Liquid-liquid dispersion Kenics static mixer

ZnO/ZnS heterostructure in N-doped porous carbon for anchoring-diffusion-conversion of polysulfides for high-performance lithium-sulfur batteries

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Rare Metals 2024年第8期43卷 3661-3676页

作者： Fei Wang Rong-Wei Huang Wen-Chang Han Chun-Man Yang Wen-Hao Yang Peng Dong Chao-Ling Wu Yi-Yong Zhang Xue Li Ying-Jie Zhang national Local Joint Engineering Research Center for LithiumIon Batteries and Materials Preparation Technology Key Laboratory of Advanced Batteries Materials of Yunnan ProvinceFaculty of Metallurgical and Energy Engineering Kunming University of Science and Technology Engineering Research Center of Alternative energy Materials and Devices Sichuan UniversityMinistry of Education

The shuttle effect of polysulfides is one of the key factors hindering the commercialization of lithiumsulfur batteries（LSBs）.Owing to their high conductivity and advantageous structure,heterostructures can be used in sulfur fixation and catalysis of *** this study,a flower-shaped ZnO/ZnS heterostructure on a nitrogendoped porous carbon（NPC） sulfur host was *** ZnO/ZnS heterostructure regulates the electronic structure of the material and exhibits higher metal-like ***,the ZnO/ZnS heterostructure combines the strong adsorption property of ZnO and the high catalytic ability of ZnS to realize the anchoring-diffusionconversion of lithium poly sulfides（LiPSs）.Results reveal that the developed ZnO/ZnS@NPC/S cathode has excellent electrochemical performance in LSBs,achieving a high discharge specific capacity of 1365.3 mAh·g-1at 0.1C and excellent rate capability(719 mAh·g-1at 2C;the capacity decay rate is only 0.042% per cycle after 1000 cycles).Even under a high sulfur loading-E/S（electrolyte/sulfur）ratio of 5.1 mg·cm-2-6 μl·mg-1,a high specific capacity of 723.7 mAh·g-1is maintained after 60 *** study provides a new strategy for a multifunctional sulfur host that can effectively alleviate the shuttle effect of LiPSs and improve the utilization of sulfur active substances.

关键词： ZnO/ZnS heterostructure Lithium–sulfur batteries Density functional theory Anchor Conversion

High donor-number and low content electrolyte additive for stabilizing zinc metal anode

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Journal of energy Chemistry 2024年第8期95卷 626-635,I0014页

作者： Yuxin Gong Ruifan Lin Bo Wang Huaizheng Ren Lei Wang Han Zhang Jianxin Wang Deyu Li Yueping Xiong Dianlong Wang Huakun Liu Shixue Dou MIIT Key Laboratory of Critical Materials Technology for New energy Conversion and storage State Key Laboratory of Urban Water Resource and EnvironmentSchool of Chemistry and Chemical EngineeringHarbin Institute of TechnologyHarbin 150001HeilongjiangChina Key Laboratory of Advanced energy Materials Chemistry(Ministry of education) College of ChemistryNankai UniversityTianjin 300071China Institute of energy Material Science University of Shanghai for Science and TechnologyShanghai 200093China

The aqueous zinc ion batteries(AZIBs)are thought as promising competitors for electrochemical energy storage,though their wide application is curbed by the uncontrollable dendrite growth and gas evolution side ***,to stabilize both zinc anodes and water molecules,we developed a modified electrolyte by adding a trace amount of N,N-diethylformanmide(DEF)into the ZnSO_(4)electrolyte for the first time in zinc ion *** effectiveness of DEF is predicted by the comparison of donor number and its preferential adsorption behavior on the zinc anode is further demonstrated by several spectroscopy characterizations,electrochemical methods,and molecular dynamics *** modified electrolyte with 5%*** content can ensure a stable cycling life longer than 3400 h of Zn‖Zn symmetric cells and an ultra-reversible Zn stripping/plating process with a high coulombic efficiency of 99.7%.The Zn‖VO_(2)full cell maintains a capacity retention of 83.5%and a 104 mA h g^(-1)mass capacity after *** work provides insights into the role of interfacial adsorption behavior and the donor number of additive molecules in designing low-content and effective aqueous electrolytes.

关键词： Aqueous zinc ion batteries Zinc anode Electrolyte additives Donor number Zinc dendrites

Risk Constrained Self-scheduling of AA-CAES Facilities in Electricity and Heat Markets:A Distributionally Robust Optimization Approach

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CSEE Journal of Power and energy Systems 2024年第3期10卷 1159-1167页

作者： Zhiao Li Laijun Chen Wei Wei Shengwei Mei Department of Electrical Engineering Tsinghua UniversityBeijing 100084China New energy(Photovoltaic)industry Research Center Qinghai UniversityXining 810016China IEEE

Advanced adiabatic compressed air energy storage(AA-CAES)has the advantages of large capacity,long service time,combined heat and power generation(CHP),and does not consume fossil fuels,making it a promising storage technology in a low-carbon *** appropriate self-scheduling model can guarantee AA-CAES’s profit and attract ***,very few studies refer to the cogeneration ability of AA-CAES,which enables the possibility to trade in the electricity and heat markets at the same *** this paper,we propose a multimarket self-scheduling model to make full use of heat produced in *** volatile market price is modeled by a set of inexact distributions based on historical data through-***,the self-scheduling model is cast as a robust risk constrained program by introducing Stackelberg game theory,and equivalently reformulated as a mixed-integer linear program(MILP).The numerical simulation results validate the proposed method and demonstrate that participating in multienergy markets increases overall *** impact of uncertainty parameters is also discussed in the sensibility analysis.

关键词： Advanced adiabatic compressed air energy storage(AA-CAES) conditional value at risk(CVaR) distributionally robust optimization(DRO) heat market self-scheduling Stackelberg game

Efficient removal of natural organo-chromium(Ⅲ)through selfcirculating decomplex and immobilization with nanoscale zerovalent iron

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Nano Research 2024年第1期17卷 364-371页

作者： Zhicheng Dong Yunyun Xu Can Wu Jin Chao Chen Tian Zhang Lin School of Metallurgy and Environment Central South UniversityChangsha 410083China Chinese national Engineering Research Center for Control&Treatment of Heavy Metal Pollution Changsha 410083China College of Ecology and Environment Chengdu University of TechnologyChengdu 610059China School of Environment and energy The Key Laboratory of Pollution Control and Ecosystem Restoration in Industry Clusters(Ministry of Education)South China University of TechnologyGuangzhou 510006China

Organo-chromium(III)complex is one of the chromium contaminant species,which would transform to high-toxic Cr(VI)during migrating in the *** natural organo-chromium(III)(NOCr)is difficult to remove by traditional degradation or precipitation methods,due to its high stability and ***,we demonstrated a novel NOCr removing method by transforming it to certain structures similar to Cr-Fe minerals in nature,through a self-circulating decomplex and immobilization mechanism with nano zero-valent iron(nZVI).Taking chromium glycinate(Cr-Gly)as a probe,nZVI showed a high Cr removal efficiency of 99.4%under ambient *** removal process included three stages of adsorption,decomplexation,and ***-Gly was first adsorbed on the surface of nZVI by chemisorption of the oxide ***,the adsorbed Cr-Gly was decomplexed and oxidized to Cr(VI)by·OH and 1O_(2),which were generated from molecular oxygen activated by ***,the released Cr(VI)could be in-situ adsorbed and re-reduced to Cr(III),which was further immobilized in form of Cr-O-Fe *** the Cr-O-Fe complexing structure was similar to that of Cr-Fe minerals(such as chromohercynite)in nature,this work explored a novel and efficient NOCr removing method that was potential to weaken chromium pollution in the environment.

关键词： organo-chromium(III) zero-valent iron adsorption decomplexation Cr immobilization

Physics of cavitation near particles

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Journal of Hydrodynamics 2024年第1期36卷 102-118页

作者： Jia-xin Yu Xiao-yu Wang Jun-wei Shen Jin-sen Hu Xiang-qing Zhang Da-qing He Yu-ning Zhang Key Laboratory of Power Station energy Transfer Conversion and System(Ministry of education) School of Energy Power and Mechanical EngineeringNorth China Electric Power UniversityBeijing102206China

The combined effect of cavitation and silt abrasion presents a great challenge and threat to secure the operation and the efficiency of hydraulic machineries working in sediment-laden *** present paper critically reviews the current research progress on the interaction mechanisms of the bubbles and the ***,the analytical models including boundary treatment methods for predicting the jet dynamics of the bubble collapse near particles are ***,the bubble collapsing dynamics,jet dynamics and shock wave characteristics near particles are revealed both experimentally and ***,the bubble-particle-wall system is investigated with a focus on microjets.

关键词： Cavitation bubble particle jet shock wave

Computational fluid dynamics modeling of rapid pyrolysis of solid waste magnesium nitrate hydrate under different injection methods

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Chinese Journal of Chemical Engineering 2024年第2期66卷 224-237页

作者： Wenchang Wu Kefan Yu Liang Zhao Hui Dong SEP Key Laboratory of Eco-industry School of MetallurgyNortheastern UniversityShenyang 110819China Liaoning Engineering Research Center of energy Saving and Green Low Carbon Technology for Process industry Northeastern UniversityShenyang 110819China

This study developed a numerical model to efficiently treat solid waste magnesium nitrate hydrate through multi-step chemical *** model simulates two-phase flow,heat,and mass transfer processes in a pyrolysis furnace to improve the decomposition rate of magnesium *** performance of multi-nozzle and single-nozzle injection methods was evaluated,and the effects of primary and secondary nozzle flow ratios,velocity ratios,and secondary nozzle inclination angles on the decomposition rate were *** indicate that multi-nozzle injection has a higher conversion efficiency and decomposition rate than single-nozzle injection,with a 10.3%higher conversion rate under the design *** decomposition rate is primarily dependent on the average residence time of particles,which can be increased by decreasing flow rate and velocity ratios and increasing the inclination angle of secondary *** optimal parameters are injection flow ratio of 40%,injection velocity ratio of 0.6,and secondary nozzle inclination of 30°,corresponding to a maximum decomposition rate of 99.33%.

关键词： Multi-nozzle Computational fluid dynamics Thermal decomposition reaction Pyrolysis furnace