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英文中文

Pore-scale prediction of transport properties in lithium-ion battery cathodes during calendering using DEM and CFD simulations

IF 4.5 2区工程技术 Q2 ENGINEERING, CHEMICAL

Powder Technology

Pub Date : 2025-01-03 DOI: 10.1016/j.powtec.2024.120601

Siavash Sandooghdar , Jiashen Chen , Maryam Asachi , Ali Hassanpour , Elham Hosseinzadeh , Meisam Babaie , Masoud Jabbari

Calendering is a crucial step in the production of lithium-ion batteries (LIBs), due to its significant effect on key parameters of porous electrode structure and resultant performance. This study investigates the influence of calendering degree (compression) on porosity, tortuosity and permeability for different particle configurations. With this motivation, the mechanical behaviour of electrode structures was conducted with Discrete Element Method (DEM), and the electrolyte flow as a continuous phase was described using pore-scale computational fluid dynamics (CFD) simulations. Three different electrode microstructures were generated comprising mono-disperse and polydisperse spherical particles, as well as mono-disperse ellipsoidal particles. The predicted pore-scale properties are used in validated electrochemical–thermal models to correlate calendering process to the overall LIB performance. The results revealed that using the ellipsoidal particles, an anisotropy in tortuosity and permeability appeared with the beginning of the compression process. As the compression degree increased to 30%, the level of anisotropy decreased, and as a consequence, the discrepancy of diagonal components of tortuosity and permeability decreased. The electrochemical–thermal models show that it is best to keep the calendering rate around 20% with smaller particle sizes (for both spherical and ellipsoidal cases).

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引用次数: 0

Comprehensive review of porous particles: Multiscale structure, flow, and transport characteristics

IF 4.5 2区工程技术 Q2 ENGINEERING, CHEMICAL

Powder Technology

Pub Date : 2024-12-28 DOI: 10.1016/j.powtec.2024.120594

Xuesong Yang , Fan Yu , Huiyu Shang , Zhe Li , Shuai Wang , Yaowen Xing , Xiahui Gui

Porous particles are crucial in environmental engineering, energy, and the chemical industry, boasting unique hierarchical structures and extensive surface areas. This review delves into their structural characteristics and flow-transfer properties, with a focus on how innovations like 3D printing enhance our understanding of these elements. Research primarily utilizes numerical simulations, particularly microscale methods such as pore network and direct pore-scale models, to provide detailed insights. However, linking these findings to reactor-scale applications remains a challenge, highlighting the need for advanced multiscale modeling and integration of experimental techniques to improve designs. This variability in flow and transfer properties at different porous structure significantly affects their practical efficiency. The review advocates for optimized pore design to enhance heat and mass transfer, aiming to develop models that encompass hierarchical structures and explore integrated flow-transfer-reaction mechanisms, ultimately enhancing the utility of porous particles in key engineering fields.

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引用次数: 0

Numerical investigation of morphological effects on crushing characteristics of single calcareous sand particle by finite-discrete element method

IF 4.5 2区工程技术 Q2 ENGINEERING, CHEMICAL

Powder Technology

Pub Date : 2024-12-27 DOI: 10.1016/j.powtec.2024.120592

Zhaofeng Li , Yifan Zhang , Rui Chen , Pei Tai , Zitao Zhang

Morphological effects on crushing characteristics of single calcareous sand particle were investigated using finite-discrete element method. Numerical particles were generated by spherical harmonics with tuned parameters. Exterior and interior morphological parameters were thereby controllable in particle set and retained the nature of real particles. Brazilian, multi-plane and progressive failure modes were identified and primarily regulated by flatness and elongation. Crushing strength was positively correlated with flatness, elongation and sphericity, and negatively with convexity. These observations were consistent between simulation and laboratory test, but much better identified from simulation, due to the decoupling of different morphological effects. With increasing intraparticle porosity, crushing strength was significantly reduced, while the Weibull modulus dropped first and rebounded afterwards, implying the interplay between the effects of interior and exterior morphologies. Intraparticle pore size distribution scarcely affected crushing strength, since large pores take the fundamental role but tiny pores take over main difference among distributions.

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引用次数: 0

Effect of grinding methods on slime dissociation characteristics and flotation kinetics of coking coal 磨矿方式对炼焦煤煤泥解离特性及浮选动力学的影响

IF 4.5 2区工程技术 Q2 ENGINEERING, CHEMICAL

Powder Technology

Pub Date : 2024-11-28 DOI: 10.1016/j.powtec.2024.120508

Rui Gu , Chaoqun Li , Qifa Lu , Zheng Tong , Xiangyun Sun , Guangxi Ma , Xiangning Bu , Jie Sha , Guangyuan Xie , Ugur Ulusoy

Despite extensive research on the connection between coal flotation kinetics and particle size, little is known about the shape effect. To fill this gap, this study aims not only to explore dissociation characteristics and particle shape properties resulting from the grinding of coking coal in a planetary ball mill (PBM) and a vertical shaft impact crusher (VSIC) but also to investigate their effects on flotation kinetics. Moreover, for the first time in the literature, shape, kinetic rate constant, and bubble loading capacity (hydrophobicity) properties of coking coal products ground in two different mills were compared by shape characterization, flotation kinetics, and single bubble loading tests, respectively. The findings are: (1) Compared to PBM, VSIC produced rounder-shaped particles with a better communition selectivity, (2) Since PBM's flotation rate constant values (Km) were higher than VSIC's, the particles produced by the PBM exhibit a favorable aspect ratio for faster flotation.

尽管对煤浮选动力学与粒度之间的关系进行了广泛的研究，但对形状效应的研究却很少。为了填补这一空白，本研究旨在探索在行星球磨机（PBM）和立轴冲击破碎机（VSIC）中研磨焦煤的解离特性和颗粒形状特性，并研究它们对浮选动力学的影响。此外，在文献中首次分别通过形状表征、浮选动力学和单泡加载试验，比较了两种不同磨机磨出的焦煤产品的形状、动力学速率常数和气泡加载能力（疏水性）特性。结果表明：(1)与PBM相比，VSIC产生的颗粒形状更圆，具有更好的通信选择性；(2)由于PBM的浮选速率常数（Km）高于VSIC， PBM产生的颗粒具有有利的长径比，有利于更快的浮选。

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引用次数: 0

Structural characteristics of cement-based tail fill with sodium dodecyl sulfate, azodicarbonamide, and dodecyl trimethyl ammonium bromide 十二烷基硫酸钠、偶氮二甲酰胺和十二烷基三甲基溴化铵水泥基尾填料的结构特征

IF 4.5 2区工程技术 Q2 ENGINEERING, CHEMICAL

Powder Technology

Pub Date : 2024-11-28 DOI: 10.1016/j.powtec.2024.120507

Tingting Jiang , Shuai Cao , Erol Yilmaz

The safety of mine-filled stopes is seriously affected by settlement and uneven pore distribution of cement-based tail fill (CTF). To further improve the mined-out areas' stability, it is found that foaming agents (FAs) can improve CTF's settlement characteristics. To better formulate FA-covered mine backfills (FCTFs), three principal FAs, namely, sodium dodecyl sulfate (SDS), azodicarbonamide (AC), and dodecyl trimethylammonium bromide (DTAB), were embraced in the existing research. Macro/micro properties of FCTF specimens were thoroughly examined by UCS tests and microstructure interpretations. Lab findings illustrate that diverse types of FA enhance CTF effects: DTAB>AC > SDS; DTAB-0.4 %, AC-0.4 % and SDS-0.6 % are the best dosage rates, and equivalent peak intensities are 0.7 MPa, 0.43 MPa and 0.55 MPa, respectively. Compared to None, the strength progress of FCTF specimens increased by 22 %, −27 %, and −7 %, respectively. Besides, FCTF's failure style is observed to happen in the form of shear failure along the loading direction. CTF specimens showed obvious ductility on stress-strain curvature, indicating that FA could well inhibit the expansion of cracks. To sum up, the research results can deliver a new way for comprehensive utilization of tailings.

水泥基尾填料的沉降和孔隙分布不均匀严重影响矿山充填采场的安全。为了进一步改善采空区的稳定性，发现发泡剂可以改善CTF的沉降特性。为了更好地配制含fa的矿山充填体，现有研究采用了三种主要的fa，即十二烷基硫酸钠（SDS）、偶氮二甲酰胺（AC）和十二烷基三甲基溴化铵（DTAB）。通过UCS试验和微观结构解释对FCTF试样的宏微观性能进行了全面的研究。实验结果表明，不同类型的FA可增强CTF的作用：SDS;dtab - 0.4%、ac - 0.4%和sds - 0.6%为最佳剂量率，等效峰强度分别为0.7 MPa、0.43 MPa和0.55 MPa。与None相比，FCTF试件的强度进步分别提高了22%、- 27%和- 7%。此外，沿加载方向观察到FCTF的破坏形式以剪切破坏形式发生。CTF试样在应力-应变曲率上表现出明显的延性，说明FA能很好地抑制裂纹的扩展。综上所述，研究成果为尾矿综合利用提供了一条新的途径。

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引用次数: 0

Preparation and characterization of uniform polyurea microspheres via an environmental-friendly synthetic process: The swelling and shrinkage phenomena 环境友好型聚脲微球的制备与表征：膨胀与收缩现象

IF 4.5 2区工程技术 Q2 ENGINEERING, CHEMICAL

Powder Technology

Pub Date : 2024-11-27 DOI: 10.1016/j.powtec.2024.120471

Jiupeng Du, Ying Dai, Pablo Canamas, Pierrette Guichardon

In this work, a non-toxic isocyanate HDB-LV is used for the first time to produce monodispersed polyurea microspheres with a size from 10 to

40 μ m

via a microfluidic droplet approach. The toxic ethylenediamine which is usually necessary for the synthesis of polyurea, is found to be not adaptable for the formation of polyurea microspheres because it can either cause swelling (at low amine concentration) or deformation (at high amine concentration) of the microspheres. A theoretical mechanism for the swelling phenomenon of microspheres is elucidated. Alternatively, thermal hydrolysis of isocyanates that can generate amines is proven to be very effective for the synthesis of polyurea microspheres. A linear relationship between the sizes of microfluidic droplets and polyurea microspheres is found and discussed quantitatively. In the end, the polyurea microspheres from 2 to

40 μ m

are characterized to have no obvious scattering effects against UV.

在这项工作中，首次使用无毒的异氰酸酯HDB-LV通过微流控液滴法生产尺寸为10至40μm的单分散聚脲微球。合成聚脲所必需的有毒物质乙二胺不适合聚脲微球的形成，因为它会导致微球膨胀（低胺浓度）或变形（高胺浓度）。阐述了微球膨胀现象的理论机理。另外，可以产生胺的异氰酸酯的热水解被证明对聚脲微球的合成非常有效。发现微流控液滴尺寸与聚脲微球尺寸之间存在线性关系，并进行了定量讨论。结果表明，2 ~ 40μm的聚脲微球对紫外无明显的散射效应。

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引用次数: 0

Nanoporous microparticles of cellulose nanofibrils: The effect of fluid bed atmospheric spray freeze drying 纳米多孔微颗粒的纤维素纳米原纤维：流化床常压喷雾冷冻干燥的效果

IF 4.5 2区工程技术 Q2 ENGINEERING, CHEMICAL

Powder Technology

Pub Date : 2024-11-27 DOI: 10.1016/j.powtec.2024.120502

J.M. Silva , C.C.C. Teixeira , L.A. Tacon , L.V.D. Freitas , A.B. Meneguin , H.S. Barud , L.A.P. Freitas

Cellulose nanofibers are abundant, low-cost, biodegradable and non-toxic materials that are a technological alternative for products in pharmaceutical field. The aim of this study was to investigate the effect of fluid bed atmospheric spray freeze drying on cellulose nanofibers characteristics, and compare to conventional spray and freeze drying methods. The atmospheric spray freeze dried nanofibers had moisture content of 2.3 %, mean size 4.0 μm, circularity of 0.86 and angle of repose of 27.3°. Also, solid state evaluation of atmospheric spray freeze dried cellulose nanofibers and other samples showed very similar chemical and thermal characteristics, but a relative crystallinity of 45.3 %, similar to spray dried powders. Furthermore, the most important feature of atmospheric-spray-freeze-dried cellulose nanofibers is their morphology, since unlike the other methods those resulted in highly nanoporous structures. The atmospheric-spray-freeze-drying of cellulose nanofibers may become a new and attractive alternative for the preparation of microsponges for pharmaceutical applications.

纤维素纳米纤维是一种资源丰富、成本低、可生物降解和无毒的材料，是医药领域产品的技术替代品。本研究旨在探讨流化床常压喷雾冷冻干燥对纤维素纳米纤维特性的影响，并与常规喷雾和冷冻干燥方法进行比较。经大气喷雾冷冻干燥的纳米纤维含水率为2.3%，平均粒径为4.0 μm，圆度为0.86，休止角为27.3°。此外，大气喷雾冷冻干燥的纤维素纳米纤维与其他样品的固体状态评价显示出非常相似的化学和热特性，但相对结晶度为45.3%，与喷雾干燥粉末相似。此外，大气喷雾冷冻干燥的纤维素纳米纤维最重要的特征是它们的形态，因为与其他方法不同，它们会产生高度的纳米孔结构。纤维素纳米纤维的常压-喷雾-冷冻干燥可能成为制备药用微海绵的一种新的有吸引力的替代方法。

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引用次数: 0

Numerical and experimental study of particle shape effect on pile properties based on a 3D sinter model 基于三维烧结模型的颗粒形状对桩体性能影响的数值与实验研究

IF 4.5 2区工程技术 Q2 ENGINEERING, CHEMICAL

Powder Technology

Pub Date : 2024-11-25 DOI: 10.1016/j.powtec.2024.120496

Meng Li , Yaowei Yu , Henrik Saxén

The research described in this paper studies the effect of particle shape on pile properties such as pile shape, repose angle and porosity through Discrete Element Method (DEM) simulation and small-scale experiments. An actual sinter particle was used as a template, with a three-dimensional (3D) model of it reconstructed from two-dimensional images using the close-range photogrammetry method. This 3D model was then employed to produce 3D-printed particles for experiments and to generate multi-sphere particles for simulations. The key contact parameters of the 3D-printed particles were obtained from experimental measurements and used for pile formation simulations. The results demonstrate that particle shape has a significant impact on the formation and structure of piles. In simulations with eliminated rolling friction coefficient, the repose angle changes significantly initially when the particles transition from sphere to more complex shapes. At growing shape complexity the effect on the pile structures eventually becomes negligible. In bulk-calibrated simulations, porosity exhibits a non-monotonic trend with changes in sphericity. The porosity of particles with sphericity most similar to sinter shows the greatest consistency with experimental porosity. The findings suggest that particle shape has a critical influence on the properties of piles, and the complexity of particle shape has a profound impact on particle behaviour.

本文通过离散元法（DEM）模拟和小尺度试验研究了颗粒形状对桩形、休止角和孔隙度等桩性的影响。以实际烧结颗粒为模板，利用近景摄影测量法从二维图像重建烧结颗粒的三维模型。然后利用该3D模型生成用于实验的3D打印颗粒，并生成用于模拟的多球体颗粒。通过实验测量获得了3d打印颗粒的关键接触参数，并将其用于成桩模拟。结果表明，颗粒形状对桩的形成和结构有显著影响。在消除滚动摩擦系数的模拟中，当颗粒从球形过渡到更复杂的形状时，休止角开始发生明显变化。随着形状复杂性的增加，对桩结构的影响最终可以忽略不计。在体积校准模拟中，孔隙度随球度的变化呈现非单调趋势。球形度与烧结矿最相似的颗粒孔隙率与实验孔隙率的一致性最大。研究结果表明，颗粒形状对桩的性能有重要影响，颗粒形状的复杂性对颗粒的行为有深远的影响。

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引用次数: 0

Two novel semi-analytical coefficients of restitution models suited for nonlinear impact behavior in granular systems 适合于颗粒系统非线性冲击行为的两种新的半解析系数恢复模型

IF 4.5 2区工程技术 Q2 ENGINEERING, CHEMICAL

Powder Technology

Pub Date : 2024-11-24 DOI: 10.1016/j.powtec.2024.120501

Gengxiang Wang , Zepeng Niu , Yang Liu , Fuan Cheng

This study proposes two novel semi-analytical coefficients of restitution (CoR) models to predict nonlinear impact behavior in granular systems. The models address energy loss at the end of the compression phase, redefining a characteristic length to enhance the equation of motion for colliding particles. The first, the inverse CoR model, derives from the inverse collision approach, introducing a length parameter for its analytical solution. The second, the energy CoR model, is proposed by integrating the damping force in conjunction with the energy conservation principles. Both models are semi-analytical since the characteristic length is numerically determined. Despite differing in derivation, both models account for initial impact velocity and material properties. Comparative analysis highlights their advantages over existing models, with validation through experimental data. Simulations confirm that the models yield accurate predictions for both metal and nonmetal contacts, at high and low impact speeds.

本文提出了两种新的半解析恢复系数（CoR）模型来预测颗粒系统的非线性冲击行为。该模型解决了压缩阶段结束时的能量损失，重新定义了特征长度，以增强碰撞粒子的运动方程。第一种是基于逆碰撞方法的逆CoR模型，引入了长度参数作为解析解。第二，将阻尼力与能量守恒原理相结合，提出能量CoR模型。两种模型都是半解析的，因为特征长度是数值确定的。尽管推导不同，但两种模型都考虑了初始冲击速度和材料特性。对比分析突出了其相对于现有模型的优势，并通过实验数据进行了验证。模拟证实，该模型对金属和非金属接触、高和低冲击速度都能做出准确的预测。

引用次数: 0

Numerical study of the dynamic aggregation behaviors of oil droplets in the porous filter media consisting of basalt particles 玄武岩颗粒多孔滤料中油滴动态聚集行为的数值研究

IF 4.5 2区工程技术 Q2 ENGINEERING, CHEMICAL

Powder Technology

Pub Date : 2024-11-24 DOI: 10.1016/j.powtec.2024.120470

Liang Hou , Cun-Guang Liang , Fu-Xin Ma , Bin Hao , Peng-Cheng Ma , Daihong Kuang , Hui Li

Porous granular media based on the gravity-driven principle have been proven to be efficient for the separation of oil-water emulsions. However, the complexity of the relevant parameters and the intricate structure of porous media pose great challenges to the design and optimization of the separation process. In this study, the dynamic behavior of oil droplets within the porous structure was numerically analyzed based on the Euler-Euler model and the coupling of the two-phase flow and level set method. The oil-water separation efficiency and droplet trajectory were analyzed under different conditions, considering the deformation of the droplets, kinetic viscosity, and interactions among the droplets. The simulation results show the real-time movement, aggregation, and detachment of oil droplets within the porous filter. The results are useful for understanding the demulsification in a microscopic perspective and provide theoretical guidance for designing more efficient oil-water separation systems.

基于重力驱动原理的多孔颗粒介质已被证明是分离油水乳状液的有效介质。然而，相关参数的复杂性和多孔介质的复杂结构给分离过程的设计和优化带来了很大的挑战。本研究基于欧拉-欧拉模型，结合两相流和水平集耦合方法，对多孔结构内油滴的动态行为进行了数值分析。考虑液滴的变形、运动粘度和相互作用，分析了不同条件下的油水分离效率和液滴轨迹。模拟结果显示了油滴在多孔过滤器内的实时运动、聚集和分离。研究结果有助于从微观角度理解破乳过程，为设计更高效的油水分离系统提供理论指导。

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