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Analysis of cohesive particles mixing behavior in a twin-paddle blender:DEM and machine learning applications

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Particuology 2024年第7期90卷 350-363页

作者： Behrooz Jadidi Mohammadreza Ebrahimi Farhad Ein-Mozaffari Ali Lohi department of chemical Engineering Toronto Metropolitan University350 Victoria StreetToronto M5B 2K3Canada

This research paper presents a comprehensive discrete element method(DEM)examination of the mixing behaviors exhibited by cohesive particles within a twin-paddle blender.A comparative analysis between the simulation and experimental results revealed a relative error of 3.47%,demonstrating a strong agreement between the results from the experimental tests and the DEM *** main focus centers on systematically exploring how operational parameters,such as impeller rotational speed,blender's fill level,and particle mass ratio,influence the *** investigation also illustrates the significant influence of the mixing time on the mixing *** gain a deeper understanding of the DEM simulation findings,an analytical tool called multivariate polynomial regression in machine learning is *** method uncovers significant connections between the DEM results and the operational parameters,providing a more comprehensive insight into their *** multivariate polynomial regression model exhibited robust predictive performance,with a mean absolute percentage error of less than 3.for both the training and validation sets,indicating a slight deviation from actual *** model's precision was confirmed by low mean absolute error values of 0.0144(80%of the dataset in the training set)and 0.0183.20%of the dataset in the validation set).The study offers valuable insights into granular mixing behaviors,with implications for enhancing the efficiency and predictability of the mixing processes in various industrial applications.

关键词： Machine learning Granular mixing Discrete element method Mixing kinetics and mechanism Cohesive particles

Microfluidic-oriented synthesis of enriched iridium nanodots/carbon architecture for robust electrocatalytic nitrogen fixation

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Green Energy & Environment 2024年第3期9卷 544-555页

作者： Hengyuan Liu Xingjiang Wu Yuhao Geng Xin Li Jianhong Xu The State Key Laboratory of chemical Engineering Department of Chemical EngineeringTsinghua UniversityBeijing100084China

Electrocatalytic nitrogen reduction reaction(NRR)is considered as a promising candidate to achieve ammonia synthesis because of clean electric energy,moderate reaction condition,safe operating process and harmless ***,the chemical inertness of nitrogen and poor activated capacity on catalyst surface usually produce low ammonia yield and faradic ***,the microfluidic technology is proposed to efficiently fabricate enriched iridium nanodots/carbon *** to in-situ co-precipitation reaction and microfluidic manipulation,the iridium nanodots/carbon nanomaterials possess small average size,uniform dispersion,high conductivity and abundant active sites,producing good proton activation and rapid electrons transmission and moderate adsorption/desorption *** a result,the as-prepared iridium nanodots/carbon nanomaterials realize large ammonia yield of 28.73.μg h^(-1) cm^(-2) and faradic efficiency of 9.14%in KOH ***,the high ammonia yield of 11.21 μg h^(-1) cm^(-2) and faradic efficiency of 24.3.%are also achieved in H_(2)SO_(4) *** microfluidic method provides a reference for large-scale fabrication of nano-sized catalyst materials,which may accelerate the progress of electrocatalytic NRR in industrialization field.

关键词： Iridium nanodots Carbon Microfluidic technology Efficient synthesis Electrocatalytic nitrogen fixation

Multi-layer hierarchical cellulose nanofibers/carbon nanotubes/vinasse activated carbon composite materials for supercapacitors and electromagnetic interference shielding

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Nano Research 2024年第3期17卷 904-912页

作者： Tianxu Wang Chuanyin Xiong Yongkang Zhang Bo Wang Qing Xiong Mengjie Zhao Yonghao Ni College of Bioresources chemical&Materials Engineering Shaanxi University of Science and TechnologyXi’an 710021China department of chemical and biomedical Engineering The University of MaineOronoME 04469USA University of New Brunswick Limerick Pulp&Paper CtrFrederictonNB E3B 5A3Canada

Developing porous self-supporting electrodes with excellent conductivity,good mechanical properties,and high electrochemical activity is crucial for constructing electrode materials with lightweight,ultra-thin,flexible,and high capacitance *** this work,we prepared a cellulose nanofibers(CNFs)/carbon nanotubes(CNTs)/vinasse activated carbon(VAC)(CCV)composite material with a multi-layer hierarchical conductive structure through simple vacuum filtration and *** this composite material,the self-assembly of CNF provides the main skeleton structure of a multi-layer hierarchical *** provides a fast path for the rapid transfer of electrons and is beneficial for the loss of electromagnetic *** provides sufficient double layer *** synergistic effect of the above three endows CCV composite materials with excellent energy storage performance and electromagnetic interference(EMI)shielding *** addition,we endowed the CCV composite with a certain shape and performance by introducing a vitrimer polymer with a dynamic cross-linked network *** summary,thanks to the synergistic effect of various components in the multi-layer hierarchical structure,CCV composite materials exhibit excellent integration performance,especially stable energy storage performance and EMI shielding *** significant properties make CCV composite materials have great application prospects in the fields of energy storage and intelligent EMI shielding.

关键词： self-supporting electrodes multi-layer hierarchical structure supercapacitors electromagnetic interference shielding

Towards high-entropy alloys with high-temperature corrosion resistance and structural stability

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Journal of Materials Science & Technology 2024年第7期174卷 133-144页

作者： Meifeng Li Hani Henein Chungen Zhou Jing Liu department of chemical and Material Engineering University of AlbertaEdmonton T6G 2R3AlbertaCanada department of Materials Science and Engineering Beihang UniversityBeijing 100191China

Complex component alloys(CCAs)consisting of multiple principal elements potentially encompass su-perior mechanical properties and good corrosion *** high-entropy alloys(EHEAs)stand out from CCAs as the desired candidates for high-temperature(HT)applications due to the combined advantages of HEA alloys and unique equilibrium eutectic *** work first explores the ther-modynamic calculation route toward HEAs with eutectic *** of pseudo-binary diagrams of transition metal(TM)CCAs were calculated with the Calphad approach to locate the potential eutectic *** representatives of a CrFeCoNi_(2.2)Al alloy with eutectic structure and a non-eutectic CrFeCoNiCu alloy were cast,and their HT performance was further evaluated by hot corrosion with Na_(2)SO_(4)+25 wt%NaCl molten salts at 700,800 and 900℃,*** HT degradation mechanism was explicitly revealed from a comprehensive thermodynamic *** between the HT performance and the inherent physicochemical properties of the constituent phases and the alloying components were addressed for the first *** was found that the mixing enthalpy(△H_(mix))and valance electron concen-tration(VEC)played more decisive roles in the hot corrosion resistance than the mixing entropy(△S_(mix))of CCAs.A strategy for tailoring and developing HEAs for HT application by modulating alloy chemistry and microstructural features was proposed.

关键词： CCAs HEAs EHEAs Hot corrosion Phase stability Calphad

An aqueous rechargeable Fe//LiMn_(2)O_()hybrid battery with superior electrochemical performance beyond mainstream Fe-based batteries

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Nano Research 2024年第6期17卷 5168-5178页

作者： Yu Liu Dehui Xie Yuxin Shi Rongguan Lv Yingna Chang Yuzhen Sun Zhiyuan Zhao Jindi Wang Kefan Song Huayu Wu Tuan K.A.Hoang Rong Xing Huan Pang Institute of New Energy on chemical Storage and Power Sources School of Chemical and Environmental EngineeringYancheng Teachers UniversityYancheng 224000China School of Chemistry and chemical Engineering Yangzhou UniversityYangzhou 225009China department of chemical Engineering University of Waterloo200 University Avenue WestWaterlooOntario N2L 3G1Canada

Aqueous rechargeable batteries(ARBs)are generally safer than non-aqueous analogues,they are also less-expensive,and more friendly to the ***,the inherent disadvantage of the narrow electrochemical window of H2O seriously restricts the energy density and output voltage of ARBs,especially aqueous rechargeable Fe-based ***,we introduce a new battery system:the anode contains C@Fe/Fe_(2)O_(3.composite,which is interfaced with an alkaline electrolyte;the cathode contains LiMn_(2)O_()in contact with a neutral electrolyte.A Li^(+)-conducting membrane is carefully selected to decouple the electrode-electrolyte,which effectively widens the electrochemical window to above 2.65 V,thereby enables an aqueous rechargeable iron *** average output voltage is 1.83.V and its energy density is 23..3.Wh/kg at 549 W/*** this work,we propose the energy storage mechanism with the aid of density functional theory(DFT).The calculated reduction potential of the anode agrees with the experimental ***,this battery system demonstrates long cycle lifespan of approximately 2500 cycles at 2 A/g,corresponding to a capacity retention of 82.1%.These results are very far superior than those of mainstream aqueous rechargeable Fe-based batteries,which guarantee future investigation for storing electricity energy.

关键词： aqueous battery high voltage high energy iron oxide theoretical calculation

Smart materials for safe lithium-ion batteries against thermal runaway

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Journal of Energy Chemistry 2024年第7期94卷 360-392页

作者： Yu Ou Pan Zhou Wenhui Hou Xiao Ma Xuan Song Shuaishuai Yan Yang Lu Kai Liu department of chemical Engineering Tsinghua UniversityBeijing 100084China

In recent years,the new energy storage system,such as lithium ion batteries(LIBs),has attracted much *** order to meet the demand of industrial progress for longer cycle life,higher energy density and cost efficiency,a quantity of research has been conducted on the commercial application of ***,it is difficult to achieve satisfying safety and cycling performance *** may be thermal runaway(TR),external impact,overcharge and overdischarge in the process of battery abuse,which makes the safety problem of LIBs more *** this review,we summarize recent progress in the smart safety materials design towards the goal of preventing TR of LIBs reversibly from different abuse *** from smart responsive materials and novel structural design,the safety of LIBs can be improved a *** expect to provide a comprehensive reference for the development of smart and safe lithium-based battery materials.

关键词： Lithium ion batteries(LIBs) Thermal runaway(TR) Smart materials Safe batteries Solid electrolyte interface(SEI)

Strategies for flame-retardant polymer electrolytes for safe lithiumbased batteries

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Nano Research 2024年第10期17卷 8754-8771页

作者： Xiao Ma Yang Lu Yu Ou Shuaishuai Yan Wenhui Hou Pan Zhou Kai Liu department of chemical Engineering Tsinghua UniversityBeijing 100084China

The advancement of lithium-based batteries has spurred anticipation for enhanced energy density,extended cycle life and reduced capacity ***,these benefits are accompanied by potential risks,such as thermal runaway and explosions due to higher energy ***,liquid organic electrolytes are the predominant choice for lithium batteries,despite their limitations in terms of mechanical strength and vulnerability to *** development of polymer electrolytes,with their high Young’s modulus and enhanced safety features,offers a potential solution to the drawbacks of traditional liquid *** these advantages,polymer electrolytes are still susceptible to burning and *** address this issue,researchers have conducted extensive studies to improve their flame-retardant properties from various *** review provides a concise overview of the thermal runaway mechanisms,flame-retardant mechanisms and electrochemical performance of polymer *** also outlines the advancements in flame-retardant polymer electrolytes through the incorporation of various additives and the selection of inherently flame-retardant *** review aims to offer a comprehensive understanding of flame-retardant polymer electrolytes and serve as a guide for future research in this field.

关键词： lithium batteries polymer electrolyte thermal runaway flame-retardant additives energy storage materials

Recent advances in the microfluidic generation of shape-controllable hydrogel microparticles and their applications

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Green chemical Engineering 2024年第1期5卷 16-30页

作者： Yingzhe Liu Zhuo Chen Jianhong Xu The State Key Lab of chemical Engineering Department of Chemical EngineeringTsinghua UniversityBeijing100084China

Hydrogel microparticles,generally accepted as significant green materials,have been widely used in chemical,biological,and biomedical fields owing to their excellent biocompatibility,biodegradability,and *** these,non-spherical hydrogel microparticles with diverse shape anisotropy have great potential in applications such as drug delivery,cellular interaction,micromotors,*** from their shapes,their functionalities in such fields cannot be satisfied by the typical spherical ***,microfluidics with precise control and domination of fluids at microflow sizes has emerged as a powerful method for synthesizing shape-controllable hydrogel microparticles with good monodispersity and unique *** this review,we tried to provide an overview of the production of non-spherical microparticles composed of green hydrogel materials,emphasizing the microfluidic ***,a brief introduction to their current applications is also presented.

关键词： Microfluidics Hydrogel Microparticles Non-spherical Anisotropic Green materials

Novel self-assembled porous yolk-shell NiO nanospheres with excellent electrochromic performance for smart windows

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Particuology 2024年第1期84卷 72-80页

作者： Baoshun Wang Ya Huang Siming Zhao Run Li Di Gao Hairong Jiang Rufan Zhang Beijing Key Laboratory of Green chemical Reaction Engineering and Technology Department of Chemical EngineeringTsinghua UniversityBeijing100084China

With the rapid development of optoelectronics,electrochromic(EC)materials(ECMs)with the advan-tages of low power consumption,easy viewing,high contrast ratio,etc have attached more and more attention from the fields of smart windows,electronic billboards,emerging wearable and portable electronics,and other next-generation *** oxide(NiO)is a promising candidate for high-performance ECMs because of its neutral-colored states and low ***,NiO-based ECMs still face the problem of slow switching speed due to their low electrical conductivity and small lattice ***-organic frameworks(MOFs)are promising candidates to fabricate hollow and porous transition metal oxides(TMOs)with high ion transport efficiency,excellent specific capacitance,and electrochemical *** this work,porous yolk-shell NiO nanospheres(PYS-NiO NSs)were syn-thesized via a solvothermal and subsequent calcination process of Ni-MOF,which exhibited outstanding EC *** the large specific surface areas and hollow porous nanostructures were conducive to ionic transport,PYS-NiO NSs exhibited a fast coloring/bleaching speed(3.6/3.9 s per one coloring/bleaching cycle)and excellent cycling stability(82%of capacity retention after 3.00 cycles).These superior EC properties indicated that the PYS-NiO NSs was a promising candidate for high-performance EC *** work provides a new and feasible strategy for the efficient preparation of TMOs ECMs with good EC performance,especially fast switching speed.

关键词： Electrochromic Nickel oxide Metal-organic frameworks Hollow structure Smart windows