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A Eulerian population balance/Monte Carlo approach for simulating laminar aluminum dust flames

Particuology 2024年第5期88卷 323-343页

作者： Fabian Sewerin Jannis Finke Emmy Noether group for Dispersed Multiphase Flows Chair of Mechanical Process EngineeringOtto-von-Guericke-Universität MagdeburgUniversitätsplatz 239106 MagdeburgGermany

Recently,metal powders have been conceptualized as carbon-free recyclable energy carriers that may form a cornerstone of a sustainable energy *** combustion of metal dusts in oxidizing atmospheres is exothermal and yields oxide particles that could,potentially,be retrieved and,subsequently,recharged by conversion to pure metals using green primary energy *** a step towards a predictive tool for designing metal dust combustors,we present a fully Eulerian modelling approach for laminar particle-laden reactive flows that is,conceptually,based on a population balance description of the dispersed particles and relies on a stochastic Eulerian solution *** the population balance equation(PBE)is formulated for the number-weighted distribution of characteristic properties among all particles near a spatial location,it is kinetically informed by the rates at which mass,momentum and heat are exchanged between the carrier gas and the particulate phase on the single particle *** the scope of the Eulerian Monte Carlo solution scheme,the property distribution is discretely represented in terms of the total number density and a finite number of property samples and the computational work is channelled towards the Eulerian estimation of mean particle *** the case of reactive aluminum particles,we combine a kinetic description of the gas-particle heat and mass transfer with a transport-limited continuum formulation to obtain rate expressions that are valid across the entire particle size range from the free molecular through the continuum *** velocity,the particle properties include only the particle mass,temperature and oxide mass *** set of thermochemical degrees of freedom is retained also as phase transitions due to melting occur,drawing on a smooth blend of the solid and liquid thermodynamic and material *** particle-level formulation encompasses aluminum evaporation,surface oxidation,scavenging of oxi

关键词： Metal dust combustion Aluminum Population balance Eulerian Monte Carlo

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Long‐life lithium batteries enabled by a pseudo‐oversaturated electrolyte

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Carbon Energy 2024年第4期6卷 115-127页

作者： Youchun Yu Simeng Wang Juyan Zhang Weiwei Qian Nana Zhang Guangjie Shao Haiyan Bian Yuwen Liu Lan Zhang Hebei Key Laboratory of Applied Chemistry College of Environmental and Chemical EngineeringYanshan UniversityQinhuangdaoChina Beijing Key Laboratory of Ionic Liquids Clean process CAS Key Laboratory of Green Process and EngineeringInstitute of Process EngineeringChinese Academy of SciencesBeijingChina Haike group Research Institute of Innovation&Technology DongyingChina Langfang Green Industrial Technology Center LangfangChina

The specific energy of Li metal batteries(LMBs)can be improved by using high‐voltage cathode materials;however,achieving long‐term stable cycling performance in the corresponding system is particularly challenging for the liquid ***,a novel pseudo‐oversaturated electrolyte(POSE)is prepared by introducing 1,1,2,2‐tetrafluoroethyl‐2,2,3,3‐tetrafluoropropyl ether(TTE)to adjust the coordination structure between diglyme(G2)and lithium bis(trifluoromethanesulfonyl)imide(LiTFSI).Surprisingly,although TTE shows little solubility to LiTFSI,the molar ratio between LiTFSI and G2 in the POSE can be increased to 1:1,which is much higher than that of the saturation state,1:*** and experimental results prove that TTE promotes closer contact of the G2 molecular with Li^(+)in the ***,it also participates in the formation of electrolyte/electrode *** electrolyte shows outstanding compatibility with both the Li metal anode and typical high‐voltage ***||Li symmetric cells show a long life of more than 2000 h at 1 mA cm^(−2),1 mAh cm^(−2).In the meantime,Li||LiNi_(0.8)Co_(0.1)Mn_(0.1)O_(2)(NCM811)cell with the POSE shows a high reversible capacity of 134.8 mAh g^(−1 )after 900 cycles at 4.5 V,1 C *** concept of POSE can provide new insight into the Li^(+)solvation structure and in the design of advanced electrolytes for LMBs.

关键词： high voltage lithium metal batteries pseudo‐oversaturated electrolyte solid electrolyte interphases(SEI) solvation structure

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Resonant four-photon photoemission from SnSe_(2)(001)

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Frontiers of physics 2024年第3期19卷 83-92页

作者： Chengxiang Jiao Kai Huang Hongli Guo Xingxia Cui Qing Yuan Cancan Lou Guangqiang Mei Chunlong Wu Nan Xu Limin Cao Min Feng School of Physics and Technology and Key Laboratory of Artificial micro-and nano-Structures of Ministry of Education Wuhan UniversityWuhan 430072China Department of Physics and Astronomy California State University NorthridgeNorthridgeCA 91330-8268USA Institute for Advanced Study Wuhan UniversityWuhan 430072China

High-order nonlinear multiphoton absorption is usually inefficient,but can be enhanced by designing resonant excitations between occupied and unoccupied energy *** conducted angle-resolved multi-photon photoemission(mPPE)studies on the SnSe_(2)(001)surfaces excited by ultrashort laser *** tuning photon energy and light polarization,we demonstrate the presence of a resonant four-photon photoemission(4PPE)process involving the occupied valence band(VB),the unoccupied second conduction band(CB2)and the unoccupied image-potential state(IPs)of SnSe_(2).In this 4PPE process,VB electrons of SnSe_(2) are resonantly excited into CB2 by adsorbing two photons,followed by the adsorption of another photon to populate the n=1 IPs before being emitted out to the vacuum by adsorbing one more *** results in a double-resonant 4PPE process,which exhibits approximately a 40 times enhancement in photoemission yields compared to cases where one of the resonant pathways,CB2→IPs,is inhibited by involving a virtual state instead of the IPs in the *** double-resonant 4PPE process efficiently excite the bulk VB electrons outside the vacuum,like taking advantage of resonant“ladders”through two real empty electronic states of SnSe_(2).Our results highlight the important applications of mPPE in probing the band-structure,particularly the unoccupied states,of recently emerging main group dichalcogenide ***,the discovered resonant mPPE process contributes to the exploration of their promising optoelectronic applications.

关键词： multi-photon photoemission four-photon photoemission SnSe_(2) unoccupied states resonant excitation

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Regulating the non-effective carriers transport for high-performance lithium metal batteries

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Journal of Energy Chemistry 2024年第5期92卷 132-141页

作者： Simeng Wang Youchun Yu Shaotong Fu Hongtao Li Jiajia Huang Institute of process Engineering Chinese Academy of SciencesBeijing 100190China School of Chemical Engineering University of Chinese Academy of SciencesBeijing 100049China Haike group Research Institute of Innovation&Technology Dongying 257000ShangdongChina

The absence of control over carriers transport during electrochemical cycling,accompanied by the deterioration of the solid electrolyte interphase(SEI)and the growth of lithium dendrites,has hindered the development of lithium metal ***,a separator complexion consisting of polyacrylonitrile(PAN)nanofiber and MIL-101(Cr)particles prepared by electrospinning is proposed to bind the anions from the electrolyte utilizing abundant effective open metal sites in the MIL-101(Cr)particles to modulate the transport of non-effective *** binding effect of the PANM separator promotes uniform lithium metal deposition and enhances the stability of the SEI layer and long cycling stability of ultra-high nickel layered oxide *** PANM as the Li||NCM96 separator enables high-voltage cycling stability,maintaining 72%capacity retention after 800 cycles at a charging and discharging rate of 0.2 C at a cut-off voltage of 4.5 V and 0°***,the excellent high-rate performance delivers a specific capacity of 156.3 mA h g^(-1) at 10 *** addition,outstanding cycling performance is realized from−20 to 60°*** separator engineering facilitates the electrochemical performance of lithium metal batteries and enlightens a facile and promising strategy to develop fast charge/discharge over a wide range of temperatures.

关键词： Functional separators Metal-organic frameworks 3D continuous ion transport networks Electrospinning Lithium metal batteries

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Cleaner production of 3.5 valent vanadium electrolyte from ammonium metavanadate by ammonia reduction-sulfuric acid dissolution method

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Tungsten 2024年第3期6卷 555-560页

作者： Cheng Wang Lan-Jie Li Hao Du College of Chemical Engineering University of Chinese Academy of Sciences Institute of process Engineering National Engineering Research Center of Green Recycling for Strategic Metal Resources Chinese Academy of Sciences Hesteel group Company Limited

The vanadium redox flow battery(VRFB) has been widely used in large-scale energy storage areas due to the advantages of long lifespan and high safety. However, the high preparation cost of vanadium electrolyte limits ...

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Phase equilibrium data prediction and process optimizationin butadiene extraction process

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Chinese Journal of Chemical Engineering 2024年第7期71卷 1-12页

作者： Baowei Niu Yanjie Yi Yuwen Wei Fuzhen Zhang Lili Wang Li Xia Xiaoyan Sun Shuguang Xiang Institute of process System Engineering College of Chemical EngineeringQingdao University of Science and TechnologyQingdao 266042China

In response to the lack of reliable physical parameters in the process simulation of the butadiene extraction,a large amount of phase equilibrium data were collected in the context of the actual process of butadiene production by *** accuracy of five prediction methods,UNIFAC(UNIQUAC Functional-group Activity Coefficients),UNIFAC-LL,UNIFAC-LBY,UNIFAC-DMD and COSMO-RS,applied to the butadiene extraction process was verified using partial phase equilibrium *** results showed that the UNIFAC-DMD method had the highest accuracy in predicting phase equilibrium data for the missing ***-RS-predicted multiple systems showed good accuracy,and a large number of missing phase equilibrium data were estimated using the UNIFAC-DMD method and COSMO-RS *** predicted phase equilibrium data were checked for *** NRTL-RK(non-Random Two Liquid-Redlich-Kwong Equation of State)and UNIQUAC thermodynamic models were used to correlate the phase equilibrium *** device simulations were used to verify the accuracy of the thermodynamic model applied to the butadiene extraction *** simulation results showed that the average deviations of the simulated results using the correlated thermodynamic model from the actual values were less than 2%compared to that using the commercial simulation software,Aspen Plus and its *** average deviation was much smaller than that of the simulations using the Aspen Plus database(>10%),indicating that the obtained phase equilibrium data are highly accurate and *** best phase equilibrium data and thermodynamic model parameters for butadiene extraction are *** improves the accuracy and reliability of the design,optimization and control of the process,and provides a basis and guarantee for developing a more environmentally friendly and economical butadiene extraction process.

关键词： Butadiene extraction Phase equilibrium data Prediction methods Thermodynamic modeling process simulation

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Electrocatalytic NAD(P)H regeneration for biosynthesis

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Green Chemical Engineering 2024年第1期5卷 1-15页

作者： Yaoxuan Li Guanhua Liu Weixi Kong Suoqing Zhang Yuemei Bao Hao Zhao Lihui Wang Liya Zhou Yanjun Jiang National-Local Joint Engineering Laboratory for Energy Conservation in Chemical process Integration and Resources Utilization School of Chemical Engineering and TechnologyHebei University of TechnologyTianjin300401China North China Pharmaceutical group Corp Shijiazhuang050015China Tianjin Food Research Institute Tianjin301609China

The highly efficient chemoselectivity,stereoselectivity,and regioselectivity render enzyme catalysis an ideal pathway for the synthesis of various chemicals in broad *** the cofactor of an enzyme is necessary but expensive,the conversed state of the cofactor is not beneficial for the positive direction of the *** regeneration using electrochemical methods has the advantages of simple operation,low cost,easy process monitoring,and easy product separation,and the electrical energy is green and ***,bioelectrocatalysis has great potential in synthesis by combining electrochemical cofactor regeneration with enzymatic *** this review,we detail the mechanism of cofactor regeneration and categorize the common electron mediators and enzymes used in cofactor *** reaction type and the recent progress are summarized in electrochemically coupled enzymatic *** main challenges of such electroenzymatic catalysis are pointed out and future developments in this field are foreseen.

关键词： Biosynthesis Cofactor regeneration Bioelectrocatalysis NAD(P)H Electron mediator

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Cascaded four-wave mixing all-optical wavelength converter based on highly nonlinear fiber deposited graphene oxide

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Journal of Materials Science & Technology 2024年第4期171卷 10-15页

作者： Yuanhongliu Gao Xiaoyu Chen Tonglei Cheng Fang Wang Xin Yan College of Information Science and Engineering State Key Laboratory of Synthetical Automation for Process IndustriesNortheastern UniversityShenyang 110819China

The all-optical wavelength conversion using cascaded four-wave mixing(FWM)phenomena with graphene oxide(GO)and a highly nonlinear fiber(HNLF)device is demonstrated *** has a strong third-order nonlinear effect and is an excellent nonlinear optical material for nonlinear optical wavelength *** group velocity matching of pump and signal,HNLF,and GO amplification promote the cascaded nonlinear frequency mixing *** the experimental and analytical results,the maximum spacing between signal and pump is 21 nm,and specifically,the order of cascaded FWM light increases from order 1 to order 2 with increasing GO,and the first-order FWM conversion effi-ciency increases to a maximum of−14.5 *** the best of our knowledge,this is the first time that cascaded FWM-based all-optical wavelength conversion in HNLF-GO with wide wavelength selectivity is investigated with combined pump and signal *** findings not only provide an effective method for achieving all-optical wavelength conversion in cascaded FWM but also offer the possibility of fabricating high-performance nonlinear optical devices.

关键词： Four-wave mixing Graphene oxide Highly nonlinear fiber Optical wavelength conversion

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Digital Twin Modeling and Simulation Optimization of Transmission Front and Middle Case Assembly Line

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Computer Modeling in Engineering & Sciences 2024年第6期139卷 3233-3253页

作者： Xianfeng Cao Meihua Yao Yahui Zhang Xiaofeng Hu Chuanxun Wu process Research Institution China National Heavy Duty Truck Group Co.Ltd.Jinan250100China Transmission Factory China National Heavy Duty Truck Group Co.Ltd.Jinan250100China G Intelligent Manufacturing Research Center Institute of Marine EquipmentShanghai Jiao Tong UniversityShanghai200240China Institute of Intelligent Manufacturing and Information Engineering School of Mechanical EngineeringShanghai Jiao Tong UniversityShanghai200240China

As the take-off of China’s macro economy,as well as the rapid development of infrastructure construction,real estate industry,and highway logistics transportation industry,the demand for heavy vehicles is increasing rapidly,the competition is becoming increasingly fierce,and the digital transformation of the production line is *** one of themost important components of heavy vehicles,the transmission front andmiddle case assembly lines have a high degree of automation,which can be used as a pilot for the digital transformation of *** ensure the visualization of digital twins(DT),consistent control logic,and real-time data interaction,this paper proposes an experimental digital twin modeling method for the transmission front and middle case assembly ***,theDT-based systemarchitecture is designed,and theDT model is created by constructing the visualization model,logic model,and data model of the assembly ***,a simulation experiment is carried out in a virtual space to analyze the existing problems in the current assembly ***,some improvement strategies are proposed and the effectiveness is verified by a new simulation experiment.

关键词： Transmission front and middle case assembly line digital twin(DT) simulating optimization intelligent manufacturing

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Effect of Co on Solidification Characteristics and microstructural Transformation of Non-equilibrium Solidified Cu-Ni Alloys

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Journal of Wuhan University of Technology(Materials Science) 2024年第2期39卷 444-453页

作者：安红恩 Bih-Lii Chua Ismail Saad Willey Yun Hsien Liew Materials Engineering Research group Faculty of EngineeringUniversity Malaysia Sabah88400 Kota KinabaluSabahMalaysia College of Mechanical and Electronic Engineering Huanghe Jiaotong UniversityJiaozuo 454950China Henan Engineering Technology Research Center on Intelligent Manufacturing Technology and Equipment Jiaozuo 454950China Centre of Research in Energy and Advanced Materials Faculty of EngineeringUniversiti Malaysia SabahJalan UMS88400 Kota KinabaluSabahMalaysia nano Engineering and Materials Research group Faculty of EngineeringUniversity Malaysia Sabah88400 Kota KinabaluSabahMalaysia

Non-equilibrium solidification structures of Cu55Ni45 and Cu55Ni43Co2 alloys were prepared by the molten glass purification cycle superheating *** variation of the recalescence phenomenon with the degree of undercooling in the rapid solidification process was investigated using an infrared *** addition of the Co element affected the evolution of the recalescence phenomenon in Cu-Ni *** images of the solid-liquid interface migration during the rapid solidification of supercooled melts were captured by using a high-speed *** solidification rate of Cu-Ni alloys,with the addition of Co elements,was ***,the grain refinement structure with low supercooling was characterised using electron backscatter diffraction(EBSD).The effect of Co on the microstructural evolution during nonequilibrium solidification of Cu-Ni alloys under conditions of small supercooling is investigated by comparing the microstructures of Cu55Ni45 and Cu55Ni43Co2 *** experimental results show that the addition of a small amount of Co weakens the recalescence behaviour of the Cu55Ni45 alloy and significantly reduces the thermal strain in the rapid solidification *** the rapid solidification phase,the thermal strain is greatly reduced,and there is a significant increase in the characteristic undercooling ***,the addition of Co and the reduction of Cu not only result in a lower solidification rate of the alloy,but also contribute to the homogenisation of the grain size.

关键词： non-equilibrium solidification recalescence effect solidification character microstructure

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