检索结果-南通市图书馆

CFD-DEM simulation of fluorination reaction in fluidized beds with local grid and time refinement method

Particuology 2024年第1期84卷 145-157页

作者： Mofan Qiu Lin Jiang Rongzhen Liu Yaping Tang Malin Liu institute of Nuclear and New energy Technology Collaborative Innovation Center of Advanced Nuclear Energy TechnologyTsinghua UniversityBeijing100084China

The gas-solid reaction process with wide particle size distribution is extensively used in the chemical engineering field,especially the particle reacts with the gas gradually,such as fluorination reactions in fluidized beds.When the computational fluid dynamics-discrete element method(CFD-DEM)is used for the coupling simulation of multiphase and polydisperse particle reaction system,the grid size directly affects the accuracy of flow field information and simulation of chemical reaction.Furthermore,particle calculation time step will directly affect the efficiency of coupling calculation.In this work,a local grid and time step refinement method is proposed to simulate multiphase and polydisperse particle fluid-ization reaction system.In this method,the refined DEM grids are automatically generated in the computational domain around the fine particles,and the detailed fluid phase information is obtained with the interpolation algorithm.In the two-phase coupling process,particles are divided into different groups based on physical properties,each group has its own independent time step.The multistage conical-cylindrical spouted bed is proposed for the fluorination reaction process;the operating gas ve-locity range of the polydisperse particle system is extended by the new design while the particle size distribution changes with the gas-solid reaction process.It is demonstrated that the local grid and time step refinement method can improve the accuracy and efficiency of the traditional CFD-DEM method in the reaction process simulation,which describes a polydisperse particle system with wide particle size distribution.Aimed at improving the simulation accuracy and efficiency,this paper will be helpful for simulating the particle reaction process in the gas-solid fluidized bed and beneficial for the development of the CFD-DEM method.

关键词： CFD-DEM Polydisperse particle Two-phase flow Fluidized bed

来源：

维普期刊数据库评论

在线全文

维普期刊数据库

学校读者我要写书评

暂无评论

CFD-DEM simulation of high density particles fluidization behaviors in 3D conical spouted beds

引用

Particuology 2024年第5期88卷 266-281页

作者： Lin Jiang Mofan Qiu Rongzheng Liu Bing Liu Youlin Shao Malin Liu institute of Nuclear and New energy Technology Collaborative Innovation Center of Advanced Nuclear Energy TechnologyTsinghua UniversityBeijing 100084China

The spouted bed has been used in the coating process of high-density nuclear fuel particle.The particle fluidization behaviors in pseudo-2D and 3D spouted beds were simulated and validated.The effects of four independent variables(cone angle,particle density,inlet gas velocity,and particle loading)on particle fluidization behaviors in the 3D spouted bed were investigated systematically.The cone angle effect on fluidization mechanism was studied quantitatively first time.A new fluidization quality index was proposed based on the particle entrainment principle,and an extreme value was obtained when the cone angle was 60°,considered to be the optimum value for the 3D conical spouted bed.It was indicated the gas–solid contact efficiency can be kept up if the gas velocity was proportional toρp 0.65 and N p 0.78 when the particle density or loading was increased.These results will be useful for geometry and operation parameters design of the 3D conical spouted bed and helpful for developing the fluidization mechanism of high-density particles.

关键词： Spouted bed High-density particle CFD-DEM Fluidization quality index Particle loading

来源：

维普期刊数据库评论

在线全文

维普期刊数据库

学校读者我要写书评

暂无评论

A hybrid spatial-temporal deep learning prediction model of industrial methanol-to-olefins process

引用

Frontiers of Chemical Science and Engineering 2024年第4期18卷 73-85页

作者： Jibin Zhou Xue Li Duiping Liu Feng Wang Tao Zhang Mao Ye Zhongmin Liu National Engineering Research Center of Lower-Carbon Catalysis Technology Dalian Institute of Chemical PhysicsChinese Academy of SciencesDalian 116023China Yulin innovation institute for Clean energy Clean Energy Innovation Institute of Chinese Academy of SciencesYulin 719053China Xuelang Industrial Intelligence Technology Co. Ltd.Wuxi 214000China

Methanol-to-olefins,as a promising non-oil pathway for the synthesis of light olefins,has been successfully industrialized.The accurate prediction of process variables can yield significant benefits for advanced process control and optimization.The challenge of this task is underscored by the failure of traditional methods in capturing the complex characteristics of industrial processes,such as high nonlinearities,dynamics,and data distribution shift caused by diverse operating conditions.In this paper,we propose a novel hybrid spatial-temporal deep learning prediction model to address these issues.Firstly,a unique data normalization technique called reversible instance normalization is employed to solve the problem of different data distributions.Subsequently,convolutional neural network integrated with the self-attention mechanism are utilized to extract the temporal patterns.Meanwhile,a multi-graph convolutional network is leveraged to model the spatial interactions.Afterward,the extracted temporal and spatial features are fused as input into a fully connected neural network to complete the prediction.Finally,the outputs are denormalized to obtain the ultimate results.The monitoring results of the dynamic trends of process variables in an actual industrial methanol-to-olefins process demonstrate that our model not only achieves superior prediction performance but also can reveal complex spatial-temporal relationships using the learned attention matrices and adjacency matrices,making the model more interpretable.Lastly,this model is deployed onto an end-to-end Industrial Internet Platform,which achieves effective practical results.

关键词： methanol-to-olefins process variables prediction spatial-temporal self-attention mechanism graph convolutional network

来源：

维普期刊数据库评论

在线全文

维普期刊数据库

学校读者我要写书评

暂无评论

Lithiophilic Li-Si alloy-solid electrolyte interface enabled by high-concentration dual salt-reinforced quasi-solid-state electrolyte

引用

Journal of energy Chemistry 2024年第8期95卷 216-230页

作者： Yuanxing Zhang Ling Zhang Zhiguang Zhao Yuxiang Zhang Jingwen Cui Chengcai Liu Daobin Mu Yuefeng Su Borong Wu Feng Wu School of Materials Science and Engineering Beijing Institute of Technology Chongqing innovation Center Beijing Institute of Technology Collaborative innovation Center of Electric Vehicles in Beijing

Solid polymer electrolytes（SPEs） are urgently required to achieve practical solid-state lithium metal batteries（LMBs） and lithium-ion batteries（LIBs）,Herein,we proposed a mechanism for modulating interfacial conduction and anode interfaces in high-concentration SPEs by LiDFBOP.Optimized electrolyte exhibits superior ionic conductivity and remarkable interface compatibility with salt-rich clusters:（1）polymer-plastic crystal electrolyte（P-PCE,TPU-SN matrix） dissociates ion pairs to facilitate Li+transport in the electrolyte and regulates Li+diffusion in the SEI.The crosslinking structure of the matrix compensates for the loss of mechanical strength at high-salt concentrations;（2） dual-anion TFSI-_n-DFBOP-min the Li+solvation sheath facilitates facile Li+desolvation and formation of salt-rich clusters and is conducive to the formation of Li conductive segments of TPU-SN matrix;（3） theoretical calculations indicate that the decomposition products of LiDFBOP form SEI with lower binding energy with LiF in the SN system,thereby enhancing the interfacial electrochemical redox kinetics of SPE and creating a solid interface SEI layer rich in LiF.As a result,the optimized electrolyte exhibits an excellent ionic conductivity of9.31 × 10-4S cm-1at 30℃ and a broadened electrochemical stability up to 4.73 V.The designed electrolyte effectively prevents the formation of Li dendrites in Li symmetric cells for over 6500 h at0.1 mA cm-2.The specific Li-Si alloy-solid state half-cell capacity shows 711.6 mAh g-1after 60 cycles at 0.3 A g-1. Excellent rate performance and cycling stability are achieved for these solid-state batteries with Li-Si alloy anodes and NCM 811 cathodes.NCM 811‖ Prelithiated silicon-based anode solid-state cell delivers a discharge capacity of 195.55 mAh g-1and a capacity retention of 97.8% after 120 cycles.NCM 811‖Li solid-state cell also delivers capacity retention of 84.2% after 450 cycles.

关键词： Li-Si alloy anode Prelithiation SEI layer Solid-state electrolyte

来源：

同方期刊数据库评论

在线全文

同方期刊数据库

学校读者我要写书评

暂无评论

Utilizing a metal-forging inspired chain combing strategy to enhance properties and expand applications of Nylon 66 plastic via heat inducing

引用

Nano Research 2024年第3期17卷 2164-2171页

作者： Junyu Yang Jiangwei Zhang Nan Wang Guangyuan Zhou Division of energy Materials Daglian Institute of Chemical PhysicsChinese Academy of SciencesDalian 116023China innovation Center of energy Material and Chemistry College of Chemistry and Chemical EngineeringInner Mongolia UniversityHohhot 010021China

The mechanical properties of engineering plastics can be enhanced through effective surface mechanical treatment(SMT),which can be applied to various types of engineering plastics,eliminating the limitations of conventional polymer processing and could potentially extend their applications and improve their performance and reliability as structural-functional materials.Inspired by metal forging,this work proposes a simple and effective SMT strategy to enhance the mechanical properties of polyamide 66(PA66).Tensile tests have shown that SMTed PA66 samples exhibit significant improvements in both Young’s modulus and ultimate tensile strength(UTS),with a 2104 MPa Young’s modulus,almost double that of the pristine samples,and a 35.56%increase in UTS,reaching 183 MPa.Additionally,the modulus within the localized SMTed surface layer could reach up to 14 GPa,which is approximately 14 times higher than that of the pristine sample.The Vickers hardness within the localized SMTed surface layer can be doubled,reaching 10.72 Hv,and the crystallinity can increase by approximately 20%compared to the untreated region.Furthermore,force field molecular dynamics(FFMD)simulations were conducted to investigate the ternary relationship between the SMT method,PA66’s molecular structure,and its properties.The combination of MD simulations and versatile structural characterizations provides evidence that the SMT method’s mechanism,under heat induction,results in a chain-combing procedure that changes the polymer’s molecular morphology microscopically and enhances its mechanical properties macroscopically.

关键词： Nylon 66 mechanical properties hardness crystallinity structural characterizations molecular dynamics simulation

来源：

维普期刊数据库评论

在线全文

维普期刊数据库

学校读者我要写书评

暂无评论

Transfer-free chemical vapor deposition graphene for nitride epitaxy: challenges, current status and future outlook

引用

Science China Chemistry 2024年第3期67卷 824-840页

作者： Xiang Gao Senlin Li Jingfeng Bi Kaixuan Zhou Meng Li Zhongfan Liu Jingyu Sun College of energy Soochow Institute for Energy and Materials InnovationsSUDA-BGI Collaborative Innovation CenterKey Laboratory of Advanced Carbon Materials and Wearable Energy Technologies of Jiangsu ProvinceSoochow UniversitySuzhou 215006China Beijing Graphene institute Beijing 100095China Xiamen Silan Advanced Compound Semiconductor Co.Ltd. Xiamen 361026China

Graphene, a two-dimensional material with outstanding electrical and mechanical properties, has attracted considerable attention in the field of semiconductor technologies due to its potential use as a buffer layer for the epitaxial Ⅲ-nitride growth. In recent years, significant progress has been made in the chemical vapor deposition growth of graphene on various insulating substrates for the nitride epitaxy, which offers a facile, inexpensive, and easily scalable methodology. However, certain challenges are still present in the form of producing high-quality graphene and achieving optimal interface compatibility with Ⅲ-nitride materials.In this review, we provide an overview of the bottlenecks associated with the transferred graphene fabrication techniques and the state-of-the-art techniques for the transfer-free graphene growth. The present contribution highlights the current progress in the transfer-free graphene growth on different insulating substrates, including sapphire, quartz, SiO_(2)/Si, and discusses the potential applications of transfer-free graphene in the Ⅲ-nitride epitaxy. Finally, it includes the prospects of the transfer-free graphene growth for the Ⅲ-nitride epitaxy and the challenges that should be overcome to realize its full potential in this field.

关键词： Transfer-free chemical vapor deposition graphene for nitride epitaxy challenges current status and future outlook graphene

来源：

维普期刊数据库

同方期刊数据库评论

在线全文

学校读者我要写书评

暂无评论

Mechanism of high Li-ion conductivity in poly(vinylene carbonate)-poly(ethylene oxide)cross-linked network based electrolyte revealed by solid-state NMR

引用

Journal of energy Chemistry 2024年第6期93卷 377-383,I0010页

作者： Fan Li Tiantian Dong Yi Ji Lixin Liang Kuizhi Chen Huanrui Zhang Guanglei Cui Guangjin Hou State Key Laboratory of Catalysis Dalian National Laboratory for Clean EnergyCollaborative Innovation Center of Chemistry for Energy MaterialsDalian Institute of Chemical PhysicsChinese Academy of SciencesDalian 116023LiaoningChina University of Chinese Academy of Sciences Beijing 100049China Qingdao Industrial energy Storage Research institute Qingdao Institute of Bioenergy and Bioprocess TechnologyChinese Academy of SciencesQingdao 266101ShandongChina

Solid polymer electrolytes(SPEs)have become increasingly important in advanced lithium-ion batteries(LIBs)due to their improved safety and mechanical properties compared to organic liquid electrolytes.Cross-linked polymers have the potential to further improve the mechanical property without trading off Li-ion conductivity.In this study,focusing on a recently developed cross-linked SPE,i.e.,the one based on poly(vinylene carbonate)-poly(ethylene oxide)cross-linked network(PVCN),we used solid-state nuclear magnetic resonance(NMR)techniques to investigate the fundamental interaction between the chain segments and Li ions,as well as the lithium-ion motion.By utilizing homonuclear/heteronuclear correlation,CP(cross-polarization)kinetics,and spin-lattice relaxation experiments,etc.,we revealed the structural characteristics and their relations to lithium-ion mobilities.It is found that the network formation prevents poly(ethylene oxide)chains from crystallization,which could create sufficient space for segmental tumbling and Li-ion co nductio n.As such,the mechanical property is greatly improved with even higher Li-ion mobilities compared to the poly(vinylene carbonate)or poly(ethylene oxide)based SPE analogues.

关键词： ssNMR Lithium-ion mobility Cross-link Solid polymer electrolyte

来源：

维普期刊数据库

同方期刊数据库评论

在线全文

学校读者我要写书评

暂无评论

MOF-derived porous graphitic carbon with optimized plateau capacity and rate capability for high performance lithium-ion capacitors

引用

International Journal of Minerals,Metallurgy and Materials 2024年第2期31卷 395-404页

作者： Ge Chu Chaohui Wang Zhewei Yang Lin Qin Xin Fan College of Materials Science&Engineering Guilin University of TechnologyGuilin 541004China institute of energy innovation College of Materials Science and EngineeringTaiyuan University of TechnologyTaiyuan 030024China

The development of anode materials with high rate capability and long charge-discharge plateau is the key to improve per-formance of lithium-ion capacitors(LICs).Herein,the porous graphitic carbon(PGC-1300)derived from a new triply interpenetrated co-balt metal-organic framework(Co-MOF)was prepared through the facile and robust carbonization at 1300°C and washing by HCl solu-tion.The as-prepared PGC-1300 featured an optimized graphitization degree and porous framework,which not only contributes to high plateau capacity(105.0 mAh·g^(−1)below 0.2 V at 0.05 A·g^(−1)),but also supplies more convenient pathways for ions and increases the rate capability(128.5 mAh·g^(−1)at 3.2 A·g^(−1)).According to the kinetics analyses,it can be found that diffusion regulated surface induced capa-citive process and Li-ions intercalation process are coexisted for lithium-ion storage.Additionally,LIC PGC-1300//AC constructed with pre-lithiated PGC-1300 anode and activated carbon(AC)cathode exhibited an increased energy density of 102.8 Wh·kg^(−1),a power dens-ity of 6017.1 W·kg^(−1),together with the excellent cyclic stability(91.6%retention after 10000 cycles at 1.0 A·g^(−1)).

关键词： metal-organic framework porous graphitic carbon optimized plateau capacity kinetic analysis lithium-ion capacitor

来源：

维普期刊数据库

同方期刊数据库评论

在线全文

学校读者我要写书评

暂无评论

Decouple charge transfer reactions in the Li-ion battery

引用

Journal of energy Chemistry 2024年第5期92卷 759-798页

作者： Yuxuan Bai Qiu-An Huang Kai Wu Jiujun Zhang institute for Sustainable energy/College of Sciences Shanghai UniversityShanghai 200444China Ningde Contemporary innovation Laboratory Contemporary Amperex Technology Co.LimitedNingde 352100FujianChina

In the development of Li-ion batteries(LIBs)with high energy/power density,long cycle-life,fast charging,and high safety,an insight into charge transfer reactions is required.Although electrochemical impedance spectroscopy(EIS)is regarded as a powerful diagnosis tool,it is not a direct but an indirect measurement.With respect to this,some critical questions need to be answered:(i)why EIS can reflect the kinetics of charge transfer reactions;(ii)what the inherent logical relationship between impedance models under different physical scenes is;(iii)how charge transfer reactions compete with each other at multiple scales.This work aims at answering these questions via developing a theory framework so as to mitigate the blindness and uncertainty in unveiling charge transfer reactions in LIBs.To systematically answer the above questions,this article is organized into a three-in-one(review,tutorial,and research)type and the following contributions are made:(i)a brief review is given for impedance model development of the LIBs over the past half century;(ii)an open source code toolbox is developed based on the unified impedance model;(iii)the competive mechanisms of charge transfer reactions are unveiled based on the developed EIS-Toolbox@LIB.This work not only clarifies theoretical fundamentals,but also provides an easy-to-use open source code for EIS-Toolbox@LIB to optimize fast charge/discharge,mitigate cycle aging,and improve energy/power density.

关键词： Electrochemical impedance spectroscopy Unified impedance model Charge transfer reactions Solid/electrolyte diffusion Porous electrode EIS-Toolbox@LIB

来源：

维普期刊数据库

同方期刊数据库评论

在线全文

学校读者我要写书评

暂无评论

Lattice Boltzmann simulation study of anode degradation in solid oxide fuel cells during the initial aging process

引用

International Journal of Minerals,Metallurgy and Materials 2024年第2期31卷 405-411页

作者： Shixue Liu Zhijing Liu Shuxing Zhang Hao Wu Hydrogen energy Industrial Technology innovation Center China Nuclear Power Technology Research InstituteShenzhen 518031China Shenzhen Engineering Research Center for Hydrogen Safety Shenzhen 518031China

For present solid oxide fuel cells(SOFCs),rapid performance degradation is observed in the initial aging process,and the dis-cussion of the degradation mechanism necessitates quantitative analysis.Herein,focused ion beam-scanning electron microscopy was em-ployed to characterize and reconstruct the ceramic microstructures of SOFC anodes.The lattice Boltzmann method(LBM)simulation of multiphysical and electrochemical processes in the reconstructed models was performed.Two samples collected from industrial-size cells were characterized,including a reduced reference cell and a cell with an initial aging process.Statistical parameters of the reconstructed microstructures revealed a significant decrease in the active triple-phase boundary and Ni connectivity in the aged cell compared with the reference cell.The LBM simulation revealed that activity degradation is dominant compared with microstructural degradation during the initial aging process,and the electrochemical reactions spread to the support layer in the aged cell.The microstructural and activity de-gradations are attributed to Ni migration and coarsening.

关键词： solid oxide fuel cell anode degradation focused ion beam-scanning electron microscopy lattice Boltzmann method

来源：

维普期刊数据库

同方期刊数据库评论

在线全文

学校读者我要写书评

暂无评论

欢迎您,

建议与咨询留下您的常用邮箱和电话号码，以便我们向您反馈解决方案和替代方法

时间限定

文献类型

馆藏选择

核心期刊

语言

文献类型

帮助

文字说明：

检索规则说明：

检索范例：

分类表

所选分类

限定检索结果

文献类型

馆藏范围

日期分布

学科分类号

主题

机构

作者

语言

在线全文

在线全文

在线全文

在线全文

在线全文

在线全文

在线全文

在线全文

在线全文

在线全文

请选择保存的检索档案：

请选择收藏分类：

通借通还

欢迎您,

建议与咨询 留下您的常用邮箱和电话号码，以便我们向您反馈解决方案和替代方法

时间限定

文献类型

馆藏选择

核心期刊

语言

文献类型

帮助

文字说明：

检索规则说明：

检索范例：

分类表

所选分类

限定检索结果

文献类型

馆藏范围

日期分布

学科分类号

主题

机构

作者

语言

在线全文

在线全文

在线全文

在线全文

在线全文

在线全文

在线全文

在线全文

在线全文

在线全文

请选择保存的检索档案： 新增检索档案 确定 取消

请选择收藏分类： 新增自定义分类 确定 取消

通借通还

建议与咨询留下您的常用邮箱和电话号码，以便我们向您反馈解决方案和替代方法

请选择保存的检索档案：

请选择收藏分类：