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Multi-level DEM study on silo discharge behaviors of non-spherical particles

Particuology 2023年第11期82卷 179-191页

作者： Lei Xu Xiukai Wu Jingyin Liang Shuai Wang Shiyi Bao Institute of Process Equipment and Control Engineering College of Mechanical EngineeringZhejiang University of TechnologyHangzhou310032China Engineering Research Center of Process Equipment and Remanufacturing Ministry of EducationChina State Key Laboratory of Clean Energy Utilization Zhejiang UniversityHangzhou310027China

The silo discharge of non-spherical particles has been widely practiced in engineering processes, yet the understanding of multi-level mechanisms during solid transportation is still lacking. In this study, a high-fidelity super-ellipsoid Discrete Element Method (DEM) model is established to investigate the discharge behaviors of non-spherical particles with different size distributions. After the comprehensive model validations, we investigated the effects of particle shape (aspect ratio and particle sharpness) on the particle level discharge behaviors. The discharge rates of the ellipsoid particles used in the current work are larger than the spherical particles due to the larger solid fraction. The discharge rates of the cuboid-like particles are determined by the combined effect of the solid fraction and the contact force. Parcel level data show that the translational movements of the ellipsoid particles are more ordered, which is supported by the global level data. Strong correlations exist between the particle level and parcel level data, especially the ellipsoid particles and the large particles in the polydispersed cases.

关键词： Multi-level study Non-spherical particle Numerical simulation Silo discharge Granular flow

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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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Charge transfer interfaces across black phosphorus/Co,N Co-doped carbon heterojunction for enhanced electrocatalytic water splitting

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Journal of Materials Science & Technology 2024年第11期178卷 171-178页

作者： Jizhou Jiang Yongjing Wang Jing Wu Hao Wang Arramel Yilun Zou Jing Zou Haitao Wang 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 Key Laboratory of Rare Mineral Ministry of Natural ResourcesGeological Experimental Testing Center of Hubei ProvinceWuhan 430034China Nano Center Indonesia South TangerangBanten 15314Indonesia

The practicality of electrochemical water-splitting technology relies on the development of novel and efficient bifunctional electrocatalysts capable of facilitating both the hydrogen evolution reaction(HER)and oxygen evolution reaction(OER).Black phosphorus(BP)holds tremendous promise for HER and OER electrocatalysis owing to its fully exposed atoms and high carrier ***,the elec-trocatalytic performance of BP is still much lower than the expected theoretical limit,presenting an exciting challenge for further ***,we embed electrochemically exfoliated few-layer BP nanosheets in higher Fermi level(EF)of cobalt,nitrogen co-doped carbons to form a new heterojunction(CoNC-BP),as efficient bifunctional electrocatalysts toward HER and OER for the advancement overall water splitting applications.A directed interfacial electron transfer is realized from CoNC to BP,facilitated by the lowering Fermi level(EF).This interfacial electron transfer plays a crucial role in optimizing the adsorption and desorption of active intermediates,while also introducing an abundance of hypervalent Co *** factors collectively contribute to the remarkable electrocatalytic activities of HER and OER performance,leading to the efficient performance of the developed CoNC-BP heterojunction in water-splitting *** work demonstrates a promising breakthrough that can inspire the design of high-efficiency catalysts.

关键词： Directional charge transfer Black phosphorus Co,N co-doped carbon Heterointerface Electrocatalytic water splitting

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A comparative techno-economic analysis for implementation of carbon dioxide to chemicals processes

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Chinese Journal of Chemical engineering 2024年第11期75卷 86-101页

作者： Zhun Li Jinyang Zhao Ping Li Yadong Yu Chenxi Cao State Key Laboratory of Chemical Engineering East China University of Science and TechnologyShanghai 200237China School of Business East China University of Science and TechnologyShanghai 200237China Key Laboratory of Smart Manufacturing in Energy Chemical Process Ministry of EducationEast China University of Science and TechnologyShanghai 200237China Engineering Research Center of Process System Engineering Ministry of EducationEast China University of Science and TechnologyShanghai 200237China

CO_(2)-based carbon-neutral organics production processes could potentially reshape the chemical ***,their feasibility and net carbon footprint rely strongly on the sources of H_(2).Herein,we present a comprehensive comparative techno-economic analysis of CO_(2)-based methanol(CO_(2)TM)and aolefins(CO_(2)TO)manufacturing using various feedstock supply modes:(1)the standalone mode with external CO_(2)but H_(2)from on-site water electrolysis,(2)the integrated mode with both CO_(2)and H_(2)recovered from coal-chemical plants,and(3)the integrated mode with recycled CO_(2)but H_(2)from on-site water *** integration of CO_(2)TM and CO_(2)TO into coal-to-olefins(CTO)and coal-to-methanol(CTM)facilities is currently cost-effective and can reduce net CO_(2)emissions by 65.7%and 68.5%,resulting in a three-fold and two-fold increase in carbon efficiency,*** carbon tax policies and electrolysis technologies continue to evolve,standalone CO_(2)TM and CO_(2)TO are projected to become more economically competitive than CTO and CTM by 2035-2045.

关键词： CO_(2) hydrogenation a-Olefins Methanol Techno-economic analysis Power to chemicals

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Experimental and theoretical investigation of sulfur-doped g-C_(3)N_(4)nanosheets/FeCo_(2)O_(4)nanorods S-scheme heterojunction for photocatalytic H_(2)evolution

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Nano research 2024年第9期17卷 8007-8016页

作者： Haitao Wang Lianglang Yu Jiahe Peng Jing Zou Weiping Gong Jizhou Jiang School of Chemistry and Environmental Engineering School of Environmental Ecology and Biological 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 Guangdong Provincial Key Laboratory for Electronic Functional Materials and Devices Huizhou UniversityHuizhou 516007China

g-C_(3)N_(4)emerges as a promising metal-free semiconductor photocatalyst due to its cost-effectiveness,facile synthesis,suitable visible light response,and robust thermal ***,its practical application in photocatalytic hydrogen evolution reaction(HER)is impeded by rapid carrier recombination and limited light absorption *** this study,we successfully develop a novel g-C_(3)N_(4)-based step-scheme(S-scheme)heterojunction comprising two-dimensional(2D)sulfur-doped g-C_(3)N_(4)nanosheets(SCN)and one-dimensional(1D)FeCo_(2)O_(4)nanorods(FeCo_(2)O_(4)),demonstrating enhanced photocatalytic HER *** engineered SCN/FeCo_(2)O_(4)S-scheme heterojunction features a well-defined 2D/1D heterogeneous interface facilitating directed interfacial electron transfer from FeCo_(2)O_(4)to SCN,driven by the lower Fermi level of SCN compared to FeCo_(2)O_(4).This establishment of electron-interacting 2D/1D S-scheme heterojunction not only facilitates the separation and migration of photogenerated carriers,but also enhances visible-light absorption and mitigates electron-hole pair *** structure analysis and density functional theory calculations corroborate that the carrier migration in the SCN/FeCo_(2)O_(4)photocatalyst adheres to a typical S-scheme heterojunction mechanism,effectively retaining highly reactive photogenerated ***,the optimized SCN/FeCo_(2)O_(4)heterojunction exhibits a substantially high hydrogen production rate of 6303.5μmol·g^(-1)·h^(-1)under visible light excitation,which is 2.4 times higher than that of the ***,the conjecture of the S-scheme mechanism is confirmed by in situ XPS *** 2D/1D S-scheme heterojunction established in this study provides valuable insights into the development of high-efficiency carbon-based catalysts for diverse energy conversion and storage applications.

关键词： g-C_(3)N_(4) FeCo_(2)O_(4) S-scheme heterojunction photocatalytic hydrogen evolution reaction(HER)

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The Investigation of Data Voting Algorithm for Train Air-Braking system Based on Multi-Classification SVM and ANFIS

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Chinese Journal of Electronics 2024年第1期33卷 274-281页

作者： Juhan WANG Ying GAO Yuan CAO Tao TANG School of Electronics and Information Engineering Beijing Jiaotong University Graduate Department China Academy of Railway Science National Engineering Research Center of Rail Transportation Operation and Control System Beijing Jiaotong University

The pressure data of the train air braking system is of great significance to accurately evaluate its operation state. In order to overcome the influence of sensor fault on the pressure data of train air braking system, it is necessary to design a set of sensor fault-tolerant voting mechanism to ensure that in the case of a pressure sensor fault, the system can accurately identify and locate the position of the faulty sensor, and estimate the fault data according to other normal data. A fault-tolerant mechanism based on multi-classification support vector machine(SVM) and adaptive network-based fuzzy inference system(ANFIS) is introduced. Multi-classification SVM is used to identify and locate the system fault state, and ANFIS is used to estimate the real data of the fault sensor. After estimation, the system will compare the real data of the fault sensor with the ANFIS estimated data. If it is similar,the system will recognize that there is a false alarm and record it. Then the paper tests the whole mechanism based on the real data. The test shows that the system can identify the fault samples and reduce the occurrence of false alarms.

关键词： Multi-classification support vector machine Adaptive network-based fuzzy inference system Train air braking system Fault-tolerant voting Multi-sensors

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Occurrence,leaching behavior,and detoxification of heavy metal Cr in coal gasification slag

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Chinese Journal of Chemical engineering 2023年第6期58卷 11-19页

作者： Jiangshan Qu Jianbo Zhang Huiquan Li Shaopeng Li Da Shi Ruiqi Chang Wenfen Wu Ganyu Zhu Chennian Yang Chenye Wang CAS Key Laboratory of Green Process and Engineering National Engineering Research Center of Green Recycling for Strategic Metal ResourcesInstitute of Process EngineeringChinese Academy of SciencesBeijing 100090China School of Chemical Engineering University of Chinese Academy of SciencesBeijing 100049China School of Resources and Civil Engineering Northeastern UniversityShenyang 110819China

Coal gasification slag(CGS)is a type of solid waste produced during coal gasification,in which heavy metals severely restrict its resource *** this work,the mineral occurrence and distribution of typical heavy metal Cr in CGS is *** leaching behavior of Cr under different conditions is studied in *** leaching-selective oxidation-coprecipitation method is proposed based on the characteristics of Cr in *** detoxification of Cr in CGS is realized,and the detoxification mechanism is *** show that Cr is highly enriched in *** speciation of Cr is mainly residual fraction(74.47%-86.12%),which is combined with amorphous ***^(3+)and Cr^(6+)account for 90.93%-94.82%and 5.18%-9.07%of total Cr,*** acid concentration and high liquid-solid ratio are beneficial to destroy the lattice structure of amorphous aluminosilicate,thus improving the leaching efficiency of Cr,which can reach 97.93%under the optimal *** leaching-selective oxidation-coprecipitation method can realize the detoxification of Cr in *** the optimal conditions,the removal rates of Fe^(3+)and Cr^(3+)in the leaching solution are 80.99%-84.79%and 70.58%-71.69%,respectively,while the loss rate of Al^(3+)is only 1.10%-3.35%.Detoxification slag exists in the form of Fe-Cr coprecipitation(Fe_(1-x)Cr_xOOH),which can be used for *** detoxification acid leaching solution can be used to prepare inorganic polymer composite coagulant poly-aluminum chloride(PAC).This study can provide theoretical and data guidance for detoxification of heavy metal Cr in CGS and achieve resource utilization of coal gasification solid waste.

关键词： Coal gasification slag Heavy metal Distributions Leaching Detoxification Precipitation

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Nanosize-effect on the distribution of heavy metals in copper smelting dust:Based on sophisticated dust sorting approach

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Nano research 2024年第1期17卷 312-320页

作者： Ken Li Zuwu Liao Hengdi Ye Qingzhu Li Fenghua Shen Qian Li Hui Liu Qingwei Wang Xu Yan Zhang Lin Liyuan Chai School of Metallurgy and Environment Central South UniversityChangsha 410083China Chinese National Engineering Research Center for Control&Treatment of Heavy Metal Pollution Changsha 410083China National Engineering Research Center of Sintering and Pelletizing Equipment System Zhongye Changtian International Engineering Co.LtdChangsha 410205China

Dust particles emitted from smelters can be hazardous to ecosystems and humans,as they are often enriched in metallic ***,we combined multi-method mineralogical analysis with a sophisticated size sorting approach for copper smelting dust to study the nanosize-effect on heavy metal distribution,which has hitherto been *** types of dust were collected from a copper flash smelter and then size-sorted using a Dekati low-pressure *** showed that all three samples could easily sort out nanoscale dust particles(<1μm,grades 10–2)and even those smaller than 100 nm(grades 5–2).Especially for electrostatic precipitators dust,the mass fraction of nanoscale dust(<1μm)could reach 10.71%.The presence of heavy metals(Pb,Zn,Cu,and As)and their mineral species in dust was examined at various particle *** was discovered that different heavy metals are enriched on nanoparticles in specific *** micron-sized particles,heavy metals are generally found in discrete phases(e.g.,CuSO_(4),PbSO_(4),and As_(2)O_(3)).In nanoscale particles,the dominant phase is Fe_(3)O_(4),while heavy metals are mostly found in lattice substitution(e.g.,CuFe_(2)O_(4)and ZnFe_(2)O_(4)).Two distinct nano-dust morphologies were found:One with irregular mesh or chain structures consisting of particles of a few nanometers,and the other with polygonal crystals in larger sizes of hundreds of *** enrichment of heavy metals in the latter morphology is more pronounced,possibly because lattice substitution of heavy metals is more likely to occur when polycrystalline particles are formed.

关键词： copper flue dust size-sorted heavy metal distribution morphology nano-sized effects

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Multiple input self-organizing-map ResNet model for optimization of petroleum refinery conversion units

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Frontiers of Chemical Science and engineering 2023年第6期17卷 759-771页

作者： Jiannan Zhu Vladimir Mahalec Chen Fan Minglei Yang Feng Qian Key Laboratory of Smart Manufacturing in Energy Chemical Process Ministry of EducationEast China University of Science and TechnologyShanghai 200237China Department of Chemical Engineering McMaster UniversityHamiltonOntario L8S 4L8Canada Engineering Research Center of Process System Engineering Ministry of EducationEast China University of Science and TechnologyShanghai 200237China

This work introduces a deep-learning network,i.e.,multi-input self-organizing-map ResNet(MISR),for modeling refining units comprised of two reactors and a separation *** model is comprised of self-organizing-map and the neural network *** self-organizing-map part maps the input data into multiple two-dimensional planes and sends them to the neural network *** the neural network part,residual blocks enhance the convergence and accuracy,ensuring that the structure will not be overfitted *** of the MISR model of hydrocracking unit also benefits from the utilization of prior knowledge of the importance of the input variables for predicting properties of the *** results show that the proposed MISR structure predicts more accurately the product yields and properties than the previously introduced self-organizing-map convolutional neural network model,thus leading to more accurate optimization of the hydrocracker ***,the MISR model has smoother error convergence than the previous *** operating conditions have been determined via multi-round-particle-swarm and differential evolution *** experiments show that the MISR model is suitable for modeling nonlinear conversion units which are often encountered in refining and petrochemical plants.

关键词： hydrocracking convolutional neural networks self-organizing map deep learning data-driven optimization

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Boosting electrocatalytic activity with the formation of abundant heterointerfaces and N, S dual-doped carbon nanotube for rechargeable Zn-air battery

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Journal of Energy Chemistry 2023年第9期84卷 140-152页

作者： Rin Na Kyeongseok Min Hyejin Kim Yujin Son Sang Eun Shim Sung-Hyeon Baeck Department of Chemistry and Chemical Engineering Education and Research Center for Smart Energy Materials and ProcessInha UniversityIncheon 22212Republic of Korea

Herein,a facile synthetic strategy is proposed to fabricate high-performance electrocatalysts for rechargeable Zn-air batteries(ZABs).Heterostructured NiCo/NiCo_(2)S_(4) nanoparticles encapsulated in N-,S-co-doped CNT(NiCo/NiCo_(2)S_(4)@NSCNT) are synthesized via co-precipitation,thermal carbonization,and partial sulfidation *** strongly coupled NiCo/NiCo_(2)S_(4) heterostructure can improve the redox property and charge transfer ***,the CNTs with abundant foreign dopants provide high electrical conductivity and abundant defect sites for both the oxygen evolution reaction(OER) and oxygen reduction reaction(ORR).The prepared NiCo/NiCo_(2)S_(4)@NSCNT electrocatalyst exhibits a low overpotential of 349 mV at a current density of 10 mA cm-2 and a half-wave potential of 0.865 V for the OER and ORR,***,the ZAB assembled using as-prepared NiCo/NiCo_(2)S_(4)@NSCNT can provide superior specific capacity(756.16 mA h g_(Zn)^(-1)],peak power density(155.82 mW cm^(-2)),and long-term cyclability compared to those of the precious metal-based electrocatalyst(Pt/C+RuO_(2)).

关键词： Bifunctional electrocatalyst NiCo alloy Bimetallic sulfide Heterojunction Zinc–air battery

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