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Research progress on preparation and purification of fluorine-containing chemicals in lithium-ion batteries

Chinese Journal of Chemical engineering 2022年第1期35卷 73-84页

作者： Xiaobin Liu Zhenguo Gao Jingcai Cheng Junbo Gong Jingkang Wang State Key Laboratory of Chemical Engineering School of Chemical Engineering and TechnologyTianjin UniversityTianjin 300072China CAS Key Laboratory of Green Process and Engineering Institute of Process EngineeringChinese Academy of SciencesBeijing 100190China The Co-Innovation Center of Chemistry and Chemical Engineering of Tianjin Tianjin 300072China

With the development of digital products,electric vehicles and energy storage technology,electronic chemicals play an increasingly prominent role in the field of new energy such as lithium-ion *** chemicals have attracted extensive attention in various *** of high-end electronic chemicals are high purity and low impurity content,which requires a very strict separation and purification *** present,crystallization is a key technology for their separation and purification of electronic *** this work,the representative fluorine-containing compounds in cathode and anode materials,separator and electrolyte of lithium-ion batteries are *** latest technologies for the preparation and purification of four kinds of fluorine-containing battery chemicals by crystallization technology are *** addition,the research prospects and suggestions are put forward for the separation of fluorine-containing battery chemicals.

关键词： Battery chemicals Lithium-ion batteries Crystallization Fluorine-containing chemicals

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Ni nanoparticles encapsulated within H-type ZSM-5 crystals for upgrading palmitic acid to diesel-like fuels

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Chinese Chemical Letters 2022年第2期33卷 803-806页

作者： Yanchun Shi Chen Gao Enhui Xing Jimei Zhang Feng Duan He Zhao Yongbing Xie CAS Key Laboratory of Green Process and Engineering Institute of Process EngineeringChinese Academy of SciencesBeijing 100190China State Key Laboratory of Catalytic Materials and Reaction Engineering Research Institute of Petroleum ProcessingSinopecBeijing 100083China

Meso-Ni@HZSM-5 bi-functional catalysts were successfully post-encapsulated with about 3-7 nm Ni nanoparticles within HZSM-5 crystals,which exhibited significantly efficient conversion activity(67.4 g[palmitic acid]g[Ni]^(−1)h^(−1))of palmitic acid and 100%selectivity of hydrocarbons with the outstanding stability during recycling application,compared to the impregnated Ni/HZSM-5 catalyst(14.0 g[palmitic acid]g[Ni]^(−1)h^(−1)).

关键词： Post-encapsulation Ni@HZSM-5 Ni nanoparticles Palmitic acid Hydrodeoxygenation Hydrocarbons

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Insight into the effect of gel drying temperature on the structure and desulfurization performance of ZnO/SiO_(2)adsorbents

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Chinese Journal of Chemical engineering 2023年第4期56卷 233-241页

作者： Chao Yang Zhelin Su Yeshuang Wang Huiling Fan Meisheng Liang Zhaohui Chen College of Environmental Science and Engineering Taiyuan University of TechnologyTaiyuan 030024China State Key Laboratory of Clean and Efficient Coal Utilization Taiyuan University of TechnologyTaiyuan 030024China State Key Laboratory of Multi-phase Complex Systems Institute of Process EngineeringChinese Academy of SciencesBeijing 100190China

A series of ZnO/SiO_(2) adsorbents were prepared by a sol-gel method using tetraethyl orthosilicate,ethylene glycol(EG)and nitrates as *** effect of gel drying temperature on the structure and desulfurization performance of the adsorbents were investigated in *** is found that the low drying temperature led to a weak interaction among EG,Si AOH/H_(2)O and the nitrates in the gel system,which caused the oxidation of EG by NO3-and formed zinc glyoxylate complex during the gel calcination process,whereas this oxidation process also occurred at a high drying temperature during the gel drying *** formed zinc glyoxylate complex promoted the generation of monodentate carbonate on the surface of Zn O,which resulted in the inferior desulfurization performance of adsorbents despite they have smaller Zn O *** gel dried at 120°C formed the hydrogen bonds between EG and Si AOH/H_(2)O and a strong interaction between zinc oxo-clusters and NO3-was also found in the gel system,which avoided the oxidation of EG by NO3-during the preparation process and the Zn O nanoparticles with sizes of 6 nm were formed by a combustion *** adsorbent affords a highest sulfur capacity of 104.9 mg·g^(-1) in this *** addition,the gel drying temperature has a significant influence on the textural properties of the adsorbents except their surface area.

关键词： Sol-gel method Drying temperature H_(2)S removal Zinc-silica composites Hydrogen bonds

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Simulation of the L-valve in the circulating fluidized bed with a coarse-grained discrete particle method

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Particuology 2024年第7期90卷 266-280页

作者： Ruixiang Tang Zheng Zou Ji Xu Junwu Wang Qingshan Zhu Hongzhong Li State Key Laboratory of Mesoscience and Engineering Institute of Process EngineeringChinese Academy of SciencesP.O.Box 353Beijing100190China School of Chemical Engineering University of Chinese Academy of SciencesBeijing100049China Innovation Academy for Green Manufacture Chinese Academy of SciencesBeijing100190China

Stable and controllable solid flow is essential in circulating fluidized bed (CFB) systems. The L-valve is a typical non-mechanical valve that can provide flexible solid feeding. The investigation of the solid circulation rate and the hydrodynamic characteristics of the L-valve is crucial to its design and operation. The gas-solid flow in the L-valve of a full-loop CFB is studied with the coarse-grained discrete particle method (EMMS-DPM). Good agreements on the solid circulation rate and the pressure drop through the L-valve are achieved between the simulated and experimental data. The solid circulation rate increases linearly with the aeration velocity until the stable particle circulation of the CFB is destroyed. The flow patterns in the horizontal section of L-valve are gas-solid slug flow above the stationary solid layer and the moving solid layer, respectively. The effects of L-valve geometric parameters on the solid flow characteristics are also investigated. The results indicate that reducing the diameter and length of the horizontal section of L-valve can improve the solid transport efficiency, especially at low aeration velocity. Besides, the solid conveying capacity and flow stability are improved when the sharp bend of L-valve is modified to be a gradual bend.

关键词： L-valve Circulating fluidized bed Full loop Discrete particle method Gas-solid flow

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Self-healing of active site in Co(OH)_(2)/MXene electrocatalysts for hydrazine oxidation

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Journal of Materials Science & Technology 2024年第36期203卷 108-117页

作者： Kun Xiang Yongjing Wang Zechao Zhuang Jing Zou Neng Li Dingsheng Wang Tianyou Zhai Jizhou Jiang School of Environmental Ecology and Biological Engineering School of Chemistry and Environmental EngineeringKey Laboratory of Green Chemical Engineering Process of Ministry of EducationEngineering Research Center of Phosphorus Resources Development and Utilization of Ministry of EducationNovel Catalytic Materials of Hubei Engineering Research CenterWuhan Institute of TechnologyWuhan 430205China Department of Chemistry Tsinghua UniversityBeijing 100084China State Key Laboratory of Silicate Materials for Architectures Wuhan University of TechnologyWuhan 430070China State Key Laboratory of Material Processing and Die&Mould Technology School of Materials Science and EngineeringHuazhong University of Science and TechnologyWuhan 430074China

The development of efficient hydrazine oxidation reaction(HzOR)catalysts is important for the construc-tion of remarkable energy storage and conversion ***,after a period of electrochemical reaction,the active site of the catalyst will be irreversibly reduced or inactivated,and how to recover the active site is a major ***,we report 2D Co(OH)_(2)/Ti_(3)C_(2)(OH)_(x)MXene composites with rapid re-construction and self-healing behaviors as efficient and stable electrocatalysts during HzOR *** experimental and theoretical results indicate that the introduction of Ti_(3)C_(2)(OH)_(x)MXene can effectively reduce the dehydrogenation barrier of Co(OH)_(2),from 0.584 eV to 0.481 eV to form the real catalytic active center Co(OH)***,Co(OH)O/Ti_(3)C_(2)(OH)_(x)MXene composites with metal-like conductiv-ity not only present spontaneous adsorption capacity of N_(2)H_(4),but also can modulated rate-determining step of dehydrogenation of∗N_(2)H_(4)to∗N_(2)H_(3)(0.54 eV)compared with Co(OH)***,the electrophilic oxygen of Co(OH)O/Ti_(3)C_(2)(OH)_(x)can spontaneously obtain electrons and protons from N_(2)H_(4),achieving the oxidation of N_(2)H_(4)while reducing Co(OH)O to Co(OH)_(2),thus completing the self-healing of the efficient catalyst.

关键词： Hydrazine oxidation Self-healing Reconstruction Co(OH)_(2)/MXene Electrocatalysis

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Comparative catalytic study on butene/isobutane alkylation over LaX and CeX zeolites: The influence of calcination atmosphere

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Chinese Journal of Chemical engineering 2022年第6期35卷 173-183页

作者： Zhiqiang Yang Ruirui Zhang Honghua Zhang Hongguo Tang Ruixia Liu Suojiang Zhang School of Chemical Engineering&Technology Tianjin UniversityTianjin 300072China Beijing Key Laboratory of Ionic Liquids Clean Process State Key Laboratory of Multiphase Complex SystemsCAS Key Laboratory of Green Process and EngineeringInstitute of Process EngineeringChinese Academy of Sciences100049 BeijingChina School of Chemical Engineering University of Chinese Academy of SciencesBeijing 100049China

Lanthanum-containing(LaX)and cerium-containing X zeolites(CeX)were prepared by a doubleexchange,double-calcination *** changing the calcination atmospheres between nitrogen and air,the Ce^(IV) contents in CeX zeolites were adjusted and their impacts on physicochemical properties and catalytic performance in isobutane alkylation were *** crystallinity of CeX zeolite was found to be negatively correlated with the Ce^(IV) *** i s believed to be due to the water formed during the oxidation of Ce^(III),which facilitates the framework *** a consequence,calcining in air resulted in a great elimination of strong Brønsted acid sites while under nitrogen protection,this phenomenon was mostly hindered and the sample’s acidity was *** tested in a continuously flowed slurry reactor,the catalyst lifetime for isobutane alkylation was found to be linearly related to the strong Brønsted acid *** addition,Ce^(3+)was found more benefit for the hydride transfer compared with La^(3+),which is ascribed to the stronger polarization effect on the CH bond of ***,the decline of hydride transfer activity can be slowed down by the catalytic cracking of the bulky *** on the product distribution,a new catalytic cycle of dimethylhexanes(DMHs)involving a direct formation of isobutene rather than tert-butyl carbocation was proposed in isobutane alkylation.

关键词： CeX zeolite Calcination atmosphere Isobutane alkylation Brønsted acid Hydride transfer

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GenoHoption: Bridging Gene Network Graphs and Single-Cell Foundation Models

GenoHoption: Bridging Gene Network Graphs and Single-Cell Fo...

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2024 IEEE International Conference on Bioinformatics and Biomedicine, BIBM 2024

作者： Cheng, Jiabei Li, Jiachen Yang, Kaiyuan Shen, Hongbin Yuan, Ye Shanghai Jiaotong University School of Electronic Information and Electrical Engineering Department of Automation Shanghai China Chinese Academy of Sciences Key Laboratory of Biopharmaceutical Preparation and Delivery Beijing China Institute of Process Engineering Chinese Academy of Sciences State Key Laboratory of Biochemical Engineering Beijing China

ISBN: (纸本)9798350386226

The remarkable success of foundation models has sparked growing interest in their application to single-cell biology. Models like Geneformer and scGPT promise to serve as versatile tools in this specialized field. However, representing a cell as a sequence of genes remains an open question since the order of genes is interchangeable. Injecting the gene network graph offers gene relative positions and compact data representation but poses a dilemma: limited receptive fields without in-layer message passing or parameter explosion with message passing in each layer. To pave the way forward, we propose GenoHoption, a new computational framework for single-cell sequencing data that effortlessly combines the strengths of these foundation models with explicit relationships in gene networks. We also introduce a constraint that lightens the model by focusing on learning the predefined graph structure while ensuring further hops are deducted to expand the receptive field. Empirical studies show that our model improves by an average of 1.27% on cell-type annotation and 3.86% on perturbation prediction. Furthermore, our method significantly decreases computational overhead. Overall, GenoHoption can function as an efficient and expressive bridge, connecting existing single-cell foundation models to gene network graphs.1 © 2024 IEEE.

关键词： Gene Network Graphs Graph Diffusion Single-cell Foundation Models

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Graph-guided masked autoencoder for process anomaly detection

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process Safety and Environmental Protection 2024年 186卷 1345-1357页

作者： Jia, Mingwei Xu, Danya Yang, Tao Yao, Yuan Liu, Yi Institute of Process Equipment and Control Engineering Zhejiang University of Technology Hangzhou310023 China State Key Laboratory of Synthetical Automation for Process Industries Northeastern University Shenyang110819 China Department of Chemical Engineering National Tsing Hua University Hsinchu300044 Taiwan

Developing an accurate and reliable anomaly detection model is of great significance for safe operation in the process industry. To minimize false positives, it is crucial to accurately model the intricate topological and nonlinear connections among variables. In this study, a process anomaly detection method based on graph-guided masked autoencoder (GGMAE) is proposed by introducing the concept of the graph to the process industry. GGMAE first constructs a topology graph according to the process flowchart. Then, the patch and mask mechanism forces GGMAE to learn the process intrinsic information to reconstruct the input according to the variable topological relationship and temporal characteristics. Additionally, Kullback-Leibler divergence is used as the loss to ensure that the distribution of input and output is consistent. Experiments on two publicly available anomaly detection benchmarks demonstrate the superiority of GGMAE over existing methods. Visualization of the results demonstrates the physically compliant reconstruction logic. © 2024 The Institution of Chemical Engineers

关键词： Anomaly detection

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The use of a ternary metal sulfide loading on carbon fibers as the sulfur host for high performance low-temperature lithium sulfur batteries

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新型炭材料(中英文) 2025年第1期40卷 167-177页

作者： HE Xin ZUO Huai-yang XIAO Ru QU Zhuo-yan SUN Zhen-hua WANG Bao Li Feng School of Materials Science and Engineering University of Science and Technology of ChinaShenyang 110016China Shenyang National Laboratory for Materials Science Institute of Metal ResearchChinese Academy of SciencesShenyang 110016China State Key Laboratory of Biochemical Engineering Institute of Process EngineeringChinese Academy of SciencesBeijing 100190China

The use of lithium-sulfur(Li-S)batteries is limited by sulfur redox reactions involving multi-phase transformations,especially at *** address this issue,we report a material(FCNS@NCFs)consisting of nitrogen-doped carbon fibers loaded with a ternary metal sulf-ide((Fe,Co,Ni)_(9)S_(8))for use as the sulfur host in Li-S *** materi-al was prepared using transfer blot filter paper as the carbon precursor,thiourea as the source of nitrogen and sulfur,and FeCl_(3)·6H_(2)O,CoCl_(2)·6H_(2)O and NiCl_(2)·6H_(2)O as the metal ion *** was synthesized by an impreg-nation method followed by *** nitrogen doping significantly in-creased the conductivity of the host,and the metal sulfides have excellent catalytic *** calculations,and adsorption and deposition experiments show that active sites on the surface of FCNS@NCFs selectively adsorb polysulfides,facilitate rapid adsorption and conversion,prevent cathode passivation and inhib-it the polysulfide *** FCNS@NCFs used as the sulfur host has excellent electrochemical *** initial dis-charge capacity is 1639.0 mAh g^(−1) at 0.2 C and room temperature,and it remains a capacity of 1255.1 mAh g^(−1) after 100 ***−20~C,it has an initial discharge capacity of 1578.5 mAh g^(−1) at 0.2 C,with a capacity of 867.5 mAh g^(−1) after 100 *** excellent performance at both ambient and low temperatures suggests a new way to produce high-performance low-temper-ature Li-S batteries.

关键词： Lithium sulfur batteries Low temperature Transition metal sulfides Sulfur conversion kinetics

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A review of low-carbon technologies and projects for the global cement industry

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Journal of Environmental Sciences 2024年第2期136卷 682-697页

作者： Yangyang Guo Lei Luo Tingting Liu Liwei Hao Yinming Li Pengfei Liu Tingyu Zhu CAS Key Laboratory of Green Process and Engineering Institute of Process EngineeringInnovation Academy for Green ManufactureChinese Academy of SciencesBeijing 100190China Center for Excellence in Regional Atmospheric Environment Institute of Urban EnvironmentChinese Academy of SciencesXiamen 361021China State Key Laboratory of Solid Waste Reuse for Building Materials Beijing Building Materials Academy of Sciences ResearchBeijing 100041China Ganjiang Innovation Academy Chinese Academy of SciencesGanzhou 341000China

Carbon dioxide(CO_(2))emissions from the cement industry account for 26%of the total industrial emissions,and the need to develop low-carbon techniques within the cement industry is extremely ***-carbon projects and technologies for the cement industry in different regions and countries have been thoroughly reviewed in this manuscript,and the low-carbon development concept for each county has been *** developing countries such as China and India,energy saving and efficiency enhancement are currently the key points,while for developed countries and regions such as Europe,more efforts have been focused on carbon capture,utilization,and storage(CCUS).Global CCUS projects have been previously conducted,and the majority of CCUS projects are currently performed in Europe where major projects such as the CEMCAP,CLEANKER,and IEILAC projects represent the latest research progress in cement production technologies and low-carbon technologies for the global cement *** development of low-carbon cement technologies has changed from focusing on the end point to instead focusing on the source and process through the exploration of hydrogen and solar energies,and more disruptive and original technologies are expected to be developed,particularly in the cement industry in China.

关键词： Cement industry CO_(2)emissions Low carbon development Projects Carbon capture utilization and storage

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