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Experimental and theoretical analysis of loading characteristics of electret fi lter media for charged particles

PARTICUOLOGY 2024年第10期93卷 87-98页

作者： Cai, Yiqi Cai, Rongrong Zhang, Lizhi South China Univ Technol Sch Chem & Chem Engn Key Lab Enhanced Heat Transfer & Energy Conservat Educ Minist Guangzhou 510640 Peoples R China South China Univ Technol State Key Lab Subtrop Bldg Sci Guangzhou 510640 Peoples R China

The degradation of filtration performance in electret filter media during usage poses a significant challenge. Pre-charging of aerosols has been identified as an effective method to mitigate this issue. However, the effects of particle charging characteristics on the loading characteristics of electret filters still need a comprehensive understanding. In this study, a needle-cylinder corona charger was employed to pre-charge aerosols, and the particle charge state was determined by multiphysics simulation. The effects of particle charge polarity and charge quantity on the loading performance of the electret filter were quantitatively investigated. The results showed that the particle charge polarity had a negligible impact on the loading performance under the condition of the equivalent particle charge quantity. In addition, the charged particles effectively improved the efficiency degradation during the loading process of electret media, with higher charge quantities resulting in more pronounced improvements. The electrostatic attenuation factor showed a negative exponential correlation with the particle charge quantity. This was attributed to the uneven particle deposition on fiber surface due to the attraction of charged particles by the opposite charges on the electret fibers, which alleviated the effect of electrostatic shielding. (c) 2024 Published by Elsevier B.V. on behalf of Chinese Society of Particuology and Institute of Process Engineering, Chinese Academy of Sciences.

关键词： Electret filter Charged particles Loading characteristic Corona charging Electrostatic screening NUMERICAL-SIMULATION FILTER FILTRATION AEROSOL PERFORMANCE COLLECTION TRANSPORT MODEL

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Data-driven surrogate model for aerodynamic design using separable shape tensor method

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CHINESE JOURNAL OF AERONAUTICS 2024年第9期37卷 41-58页

作者： Pang, Bo Zhang, Yang Li, Junlin Wang, Xudong Chang, Min Bai, Junqiang Xi An Jiao Tong Univ State Key Lab Strength & Vibrat Mech Struct Xian 710049 Peoples R China Northwestern Polytech Univ Unmanned Syst Res Inst Xian 710072 Peoples R China

In the context of increasing dimensionality of design variables and the complexity of constraints, the efficacy of Surrogate-Based Optimization (SBO) is limited. The traditional linear and nonlinear dimensionality reduction algorithms are mainly to decompose the mathematical matrix composed of design variables or objective functions in various forms, the smoothness of the design space cannot be guaranteed in the process, and additional constraint functions need to be added in the optimization, which increases the calculation cost. This study presents a new parameterization method to improve both problems of SBO. The new parameterization is addressed by decoupling affine transformations (dilation, rotation, shearing, and translation) within the Grassmannian submanifold, which enables a separate representation of the physical information of the airfoil in a highdimensional space. Building upon this, Principal Geodesic Analysis (PGA) is employed to achieve geometric control, compress the design space, reduce the number of design variables, reduce the dimensions of design variables and enhance predictive performance during the surrogate optimization process. For comparison, a dimensionality reduction space is defined using 95% of the energy, and RAE 2822 for transonic conditions are used as demonstrations. This method significantly enhances the optimization efficiency of the surrogate model while effectively enabling geometric constraints. In three-dimensional problems, it enables simultaneous design of planar shapes for various components of the aircraft and high-order perturbation deformations. Optimization was applied to the ONERA M6 wing, achieving a lift-drag ratio of 18.09, representing a 27.25% improvement compared to the baseline configuration. In comparison to conventional surrogate model optimization methods, which only achieved a 17.97% improvement, this approach demonstrates its superiority. (c) 2024 Production and hosting by Elsevier Ltd. on behalf of Chine

关键词： Aerodynamic design Grassmannian manifold Shape parameterization Surrogate-based optimization Data dimensionality reduction WING DESIGN OPTIMIZATION

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Facile formation of hierarchical magnesium silicate hydrate microspheres as an adsorbent for the textile dyes

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PARTICUOLOGY 2024年第10期93卷 99-110页

作者： Kyawoo, Tin Karim, Naveed Jiang, Chao Ahmed, Saeed Tian, Weiliang Li, Huiyu Feng, Yongjun Beijing Univ chem Technol Beijing Engn Ctr Hierarch Catalysts State Key Lab Chem Resource Engn Beijing 100029 Peoples R China Univ Chakwal Dept Chem Chakwal 48800 Pakistan Tarim Univ Coll Chem & Chem Engn Alar 843300 Peoples R China

Hierarchical porous magnesium silicate hydrate (MSH) microspheres composed of sheets are successfully developed under facile conditions using a hard template. The role of hexadecyltrimethylammonium bromide (CTAB) on the formation and adsorption behavior was also observed for the methyl orange and methylene blue. The formed MSH possesses a surface area of 453.24 m 2 /g, an average pore size of 6.38 nm, and a pore volume of 0.75 cm 3 /g without CTAB. Based on the role of CTAB and the change in the ratio of Mg/Si, the MSH retained its sphere-like structure with a variation in pore parameters. The formed MSH was used as an adsorbent to remove methylene blue and methyl orange. The pseudo-second-order kinetic and Langmuir Isotherm models are well- fitted, with a 256.4 mg/g removal capacity and 84.2 mg/g for methylene blue and methyl orange, respectively. The modi fied MSH with CTAB played a positive role for the methyl orange and a negative role for the methylene blue regarding removal performance. (c) 2024 Chinese Society of Particuology and Institute of Process Engineering, Chinese Academy of Sciences. Published by Elsevier B.V. All rights are reserved, including those for text and data mining, AI training, and similar technologies.

关键词： Adsorption Hierarchical microspheres Magnesium silicate Methyl orange Methylene blue Surface modi fication METHYL-ORANGE ADSORPTION AQUEOUS-SOLUTIONS REMOVAL BLUE NANOPARTICLES PERFORMANCE NANOTUBES CAPACITY KINETICS ISOTHERM

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Micromechanical modeling of longitudinal tensile behavior and failure mechanism of unidirectional carbon fiber/aluminum composites involving fiber strength dispersion

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CHINESE JOURNAL OF AERONAUTICS 2024年第9期37卷 312-327页

作者： Liu, Qipeng Jiang, Wengang Gao, Yuehua Wang, Zhenjun Shi, Shanshan Sun, Zhi Nanchang Hangkong Univ Jiangxi Key Lab Forming & Joining Technol Aerosp C Nanchang 330063 Peoples R China Dalian Jiaotong Univ Sch Locomot & Rolling Stock Engn Dalian 116028 Peoples R China Dalian Univ Technol State Key Lab Struct Anal Optimizat & CAE Software Dalian 116024 Peoples R China

This paper examines the longitudinal tensile behavior and failure mechanism of a new unidirectional carbon fiber reinforced aluminum composite through experiments and simulations. A Weibull distribution model was established to describe the fiber strength dispersion based on single-fiber tensile tests for carbon fibers extracted from the composite. The constitutive models for the matrix and interface were established based on the uniaxial tensile and single-fiber pushout tests, respectively. Then, a 3D micromechanical numerical model, innovatively considering the fiber strength dispersion by use of the weakest link and Weibull distribution theories, was established to simulate the progressive failure behavior of the composite under longitudinal tension. Due to the dispersion of fiber strength, the weakest link of the fiber first fractures, and stress concentration occurs in the surrounding fibers, interfaces, and matrix. The maximum stress concentration factor for neighboring fibers varies nonlinearly with the distance from the fractured fiber. Both isolated and clustered fractured fibers are present during the progressive failure process of the composite. The expansion of fractured fiber clusters intensifies stress concentration and material degradation which in turn enlarges the fractured fiber clusters, and their mutual action leads to the final collapse of the composite. (c) 2024 Production and hosting by Elsevier Ltd. on behalf of Chinese Society of Aeronautics and Astronautics. This is an open access article under the CC BY-NC-ND license (http://***/ licenses/by-nc-nd/4.0/).

关键词： Fiber reinforced metals Finite element method 3D micromechanical model Fiber strength dispersion Longitudinal tension Progressive failure METAL-MATRIX COMPOSITES REINFORCED ALUMINUM DEFORMATION MECHANISMS HYBRIDIZATION FABRICATION PULLOUT AL2O3 ALLOY

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Near-infrared Emissive 1,2-Dioxetane-based chemiluminescent Probes

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chemICAL RESEARCH IN CHINESE UNIVERSITIES 2024年第5期40卷 806-823页

作者： Chen, Yingqi Budianta, Richard Ning, Yingying South China Univ Technol Spin X Inst Sch Chem & Chem Engn Sch Biomed Sci & EngnState Key Lab Luminescent Ma Hong Kong 510641 Guangdong Peoples R China

chemiluminescence, a phenomenon emitting light from chemical reactions rather than photon absorption, has gained significant interest for applications in bioimaging and biosensing due to its high sensitivity and low background interference. Now there is a growing interest in near-infrared (NIR) chemiluminescent probes for improved tissue penetration and reduced autofluorescence. This review summarizes NIR emissive chemiluminescent probes based on 1,2-dioxetane and discusses their chemical structures and applications. structure modification strategies for red-shifting wavelength and enhancing brightness include incorporating electron-withdrawing groups, designing chemiluminophore-fluorophore cassettes, and exploring alternative chemiluminescent scaffolds. This review aims to inspire the exploration of NIR chemiluminescent probes in disease detection and treatment.

关键词： chemiluminescence Near-infrared Dioxetane Bioimaging Biosensing RESONANCE ENERGY-TRANSFER ELECTRON-EXCHANGE LUMINESCENCE AGGREGATION-INDUCED EMISSION BICYCLIC DIOXETANES BEARING IN-VIVO PHOTODYNAMIC THERAPY SINGLET-OXYGEN TRANSFER CASSETTES BIOLUMINESCENCE GENERATION

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Understanding Bonding Nature of α-Keggin Polyoxometalates [XW12O40]n- (X = Al, Si, P, S): A Generalized Superatomic Perspective

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ENERGY & ENVIRONMENTAL MATERIALS 2024年第6期7卷 176-183页

作者： Li, Rui Shi, Yulei Yu, Famin Wang, Rui Yan, Haitao Teo, Boon K. Wang, Zhigang Capital Normal Univ Dept Phys Beijing 100048 Peoples R China Jilin Univ Coll Phys Key Lab Mat Simulat Methods & Software Minist Educ Changchun 130012 Peoples R China Jilin Univ Inst Atom & Mol Phys Changchun 130012 Peoples R China Jilin Univ Inst Theoret Chem Coll Chem Changchun 130012 Peoples R China Xiamen Univ Coll Chem & Chem Engn State Key Lab Phys Chem Solid Surfaces Xiamen 361005 Peoples R China

alpha-Keggin polyoxometalates (POMs) [XW12O40](n-) (X = Al, Si, P, S) are widely used in batteries owing to their remarkable redox activity. However, the mechanism underlying the applications appears inconsistent with the widely accepted covalent bonding nature. Here, first-principles calculations show that XW12 are core-shell structures composed of a shell and an XO4n- core, both are stabilized by covalent interactions. Interestingly, owing to the presence of a substantial number of electrons in W12O36 shell, the frontier molecular orbitals of XW12 are not only strongly delocalized but also exhibit superatomic properties with high-angular momentum electrons that do not conform to the Jellium model. Detailed analysis indicates that energetically high lying filled molecular orbitals (MOs) have reached unusually high-angular momentum characterized by quantum number K or higher, allowing for the accommodation of numerous electrons. This attribute confers strong electron acceptor ability and redox activity to XW12. Moreover, electrons added to XW12 still occupy the K orbitals and will not cause rearrangement of the MOs, thereby maintaining the stability of these structures. Our findings highlight the structure-activity relationship and provide a direction for tailor-made POMs with specific properties at atomic level.

关键词： first principles molecular orbital polyoxometalate redox activity superatom ELECTRONIC SHELL structURE CORRELATION-ENERGY BASIS-SET DENSITY STABILITY chemISTRY HETEROPOLYANIONS ORBITALS MODEL DFT

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Steady-state multiscale CFD simulation of a circulating fl uidized bed riser

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PARTICUOLOGY 2024年第10期93卷 54-64页

作者： Ke, Zhaojie Tian, Yujie Li, Fei Lu, Bona Wang, Wei Chinese Acad Sci Inst Proc Engn State Key Lab Mesosci & Engn Beijing 100190 Peoples R China Univ Chinese Acad Sci Sch Chem Engn Beijing 100049 Peoples R China

Compared to transient simulation, steady-state simulation of circulating fluidized bed risers is more efficient, but is also harder to perform due to the complex scale-dependency of dense gas-solid flows. In this work, steady-state computational fluid dynamics (CFD) simulation of a riser is performed using the steady energy-minimization multi-scale (EMMS) drag. It is found that the steady state corresponds to an extremely large scale of length and time, thus the grid size required in steady-state simulation is larger than that in transient one. The time-averaged two-fluid model (TFM) coupled with the steady-state EMMS/1M drag model enables a good prediction of the S-shaped, axial solids distribution and the choking transition, whereas the two-phase turbulence and solids stress models are important in predicting the radially core-annular distribution of solids. So far as we know, this is the first time that one can predict the choking transition in a steady-state CFD simulation. Further improvement may need an EMMS modeling of the time-averaged solid stresses. (c) 2024 Chinese Society of Particuology and Institute of Process Engineering, Chinese Academy of Sciences. Published by Elsevier B.V. All rights are reserved, including those for text and data mining, AI training, and similar technologies.

关键词： Fluidization Drag force Steady state Simulation Mesoscale GAS-PARTICLE FLOW structURE-DEPENDENT ANALYSIS FILTERED 2-FLUID MODELS FLUIDIZED-BED NUMERICAL-SIMULATION SOLID FLOWS EULERIAN SIMULATION VERTICAL PIPE EMMS VALIDATION

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High-entropy sulfurization enables efficient non-noble metal-based NiCoFeCuS electrocatalyst for alkaline oxygen evolution reaction

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PARTICUOLOGY 2024年第10期93卷 180-185页

作者： Yang, Pan Sun, Mengxiang Wang, Jingchuan Li, Jinfeng Yang, Ruizhu Hao, Yawei Qi, Li Yang, Lijun Liu, Xue China Acad Engn Phys Inst Mat Jiangyou 621908 Peoples R China Yanshan Univ State Key Lab Metastable Mat Sci & Technol Qinhuangdao 066004 Peoples R China Sci & Technol Surface Phys & chem lab Jiangyou 621907 Peoples R China

Highly active and cost-effective oxygen evolution reaction electrocatalysts have become essential to replace commercial electrocatalysts that rely on rare noble metals. High-entropy sulfide nanomaterials, characterized by abundant randomly distributed elements and inherent stability, possess significant potential for applications. However, challenges such as uneven composition, partial oxidation, or imprecise synthesis control still remain in the materials preparation. Herein, a simple and effective two-step hydrothermal method was employed to synthesize NiCoFeCuS nanoparticles supported on foam nickel substrate. With the catalytic active sites produced by electron density redistribution in high-entropy and sulfurization, NiCoFeCuS exhibits excellent alkaline OER performance, with an overpotential of 261 mV and a Tafel slope of 57.97 mV dec(-1) at the current density of 10 mA cm(-2), which is only 88% of commercial RuO2 without any noble metals. (c) 2024 Chinese Society of Particuology and Institute of Process Engineering, Chinese Academy of Sciences. Published by Elsevier B.V. All rights are reserved, including those for text and data mining, AI training, and similar technologies.

关键词： High-entropy Sulfurization NiCoFeCuS electrocatalyst Oxygen evolution reaction Overpotentials ALLOY NANOPARTICLES

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Superior Anodic Lithium Storage in Core-Shell Heterostructures Composed of Carbon Nanotubes and Schiff-Base Covalent Organic Frameworks

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ENERGY & ENVIRONMENTAL MATERIALS 2024年第6期7卷 150-157页

作者： Jiang, Nan Qi, Mengpei Jiang, Yalong Fan, Yin Jin, Shiwei Yang, Yingkui South Cent Minzu Univ Sch Chem & Mat Sci Wuhan 430074 Peoples R China Wuhan Text Univ State Key Lab New Text Mat & Adv Proc Technol Wuhan 430200 Peoples R China

Covalent organic frameworks (COFs) after undergoing the superlithiation process promise high-capacity anodes while suffering from sluggish reaction kinetics and low electrochemical utilization of redox-active sites. Herein, integrating carbon nanotubes (CNTs) with imine-linked covalent organic frameworks (COFs) was rationally executed by in-situ Schiff-base condensation between 1,1 '-biphenyl]-3,3 ',5,5 '-tetracarbaldehyde and 1,4-diaminobenzene in the presence of CNTs to produce core-shell heterostructured composites (CNT@COF). Accordingly, the redox-active shell of COF nanoparticles around one-dimensional conductive CNTs synergistically creates robust three-dimensional hybrid architectures with high specific surface area, thus promoting electron transport and affording abundant active functional groups accessible for electrochemical utilization throughout the whole electrode. Remarkably, upon the full activation with a superlithiation process, the as-fabricated CNT@COF anode achieves a specific capacity of 2324 mAh g-1, which is the highest specific capacity among organic electrode materials reported so far. Meanwhile, the superior rate capability and excellent cycling stability are also obtained. The redox reaction mechanisms for the COF moiety were further revealed by Fourier-transform infrared spectroscopy in conjunction with X-ray photoelectron spectroscopy, involving the reversible redox reactions between lithium ions and C=N groups and gradual electrochemical activation of the unsaturated C=C bonds within COFs. Coupling conductive carbon nanotubes with redox-active imine-linked covalent organic frameworks generates core-shell heterostructures capable of building 3D hierarchical architectures with fully exposed active sites for boosting anodic lithium storage. image

关键词： heterostructured anode core-shell nanostructures carbon nanotubes polymeric Schiff-bases covalent organic frameworks BATTERIES

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Hybrid HMX multi-level assembled under the constraint of 2D materials with efficiently reduced sensitivity and optimized thermal stability

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DEFENCE TECHNOLOGY 2024年第9期39卷 123-132页

作者： Song, Xiaomin Huang, Longjin Peng, Rufang Huang, Qi Xu, Jinjiang Sun, Jie China Acad Engn Phys Inst Chem Mat Mianyang 621900 Peoples R China Southwest Univ Sci & Technol Sch Mat Sci & Engn State Key Lab Environm Friendly Energy Mat Mianyang 621010 Peoples R China

The interfacial interaction between HMX molecules and coating materials is the key to the safety performance of explosives and has received extensive attention. However, screening suitable coating agents to enhance the interfacial effect to obtain high-energy and low-sensitivity explosives has long been a major challenge. In this work, HMX-PEI/rGO/g-C3N4 (HPrGC) composites were innovatively prepared by a multi-level coating strategy of two-dimensional graphite rGO and g-C3N4. The g-C3N4 used for desensitization has a rich pi-conjugated system and shows outstanding ability in reducing friction sensitivity. The hierarchical structure of HPrGC formed by electrostatic self-assembly and pi-pi stacking can effectively dissipate energy accumulation under heat and mechanical stimulation through structural evolution, thus exhibiting a prominent synergistic desensitization effect on HMX. The results show that rGO/g-C3N4 coating has no effect on the crystal structure and chemical structure of HMX. More importantly, the perfect combination of g-C3N4 and rGO endows HPrGC with enhanced thermal stability and ideal mechanical sensitivity (IS: 21 J, FS: 216 N). Obviously, the new fabrication of HPrGC enriches the variety of desensitizer materials and helps to deepen the understanding of the interaction between explosives and coatings. (c) 2024 China Ordnance Society. Publishing services by Elsevier B.V. on behalf of KeAi CommunicationsCo. Ltd. This is an open access article under the CC BY-NC-ND license

关键词： HMX-PEI/rGO/g-C 3 N 4 Electrostatic self-assembly p stacking Synergistic desensitization GRAPHENE OXIDE CRYSTALS NANOCOMPOSITES COMPOSITES DENSITY IMPACT

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