Particuology最新文献

Particle-resolved CFD study of liquid axial penetration and lateral spreading in an ordered trickle bed reactor 有序滴流床反应器中液体轴向渗透和横向扩散的颗粒解析CFD研究

IF 4.3 2区材料科学 Q2 ENGINEERING, CHEMICAL

Particuology

Pub Date : 2026-02-01 DOI: 10.1016/j.partic.2025.12.025

A. Tavanaei , D.R. Rieder , M.W. Baltussen , K.A. Buist , J.A.M. Kuipers

Trickle bed reactors are frequently applied in the chemical process industries for gas-liquid-solid contacting. The performance of these reactors is sensitively influenced by the hydrodynamics. This study focuses on investigating the complex interaction between the gas and liquid phases in these reactors. Specifically, the effects of inlet liquid flux, surface wettability, and gas velocity on lateral spreading and axial penetration of the liquid are explored. An ordered trickle bed is used to reduce the effects of the configuration of the particles on these parameters. Using Direct Numerical Simulation (DNS), we determined that the lateral spreading and axial penetration are enhanced with an increased liquid flux, as expected. Interestingly, the initial liquid inertia, represented by the liquid jet velocity, has limited influence on both lateral spreading and axial penetration in the ordered bed, while the gravitational force is the dominant factor for the axial penetration. Furthermore, the contact angle has minimal impact on lateral spreading, indicating the presence of an additional force restricting spreading. Notably, the gas velocity is identified as a crucial factor influencing lateral spreading, as high velocities prevent the capillary forces from spreading the liquid. These insights in the contributing forces on the spreading behaviour in trickle bed reactors facilitate an improved reactor design and optimization.

滴流床反应器是化工过程中常用的气液固接触反应器。这些反应器的性能受流体力学的敏感影响。本研究的重点是研究这些反应器中气、液相之间复杂的相互作用。具体而言，研究了进口液体通量、表面润湿性和气体速度对液体横向扩散和轴向渗透的影响。采用有序滴流床来减少颗粒结构对这些参数的影响。使用直接数值模拟（DNS），我们确定横向扩散和轴向穿透随着液体通量的增加而增强，正如预期的那样。有趣的是，以射流速度为代表的初始液体惯量对有序层的横向扩展和轴向渗透的影响都有限，而重力是轴向渗透的主导因素。此外，接触角对横向扩散的影响最小，表明存在额外的力限制扩散。值得注意的是，气速被认为是影响横向扩散的关键因素，因为高速可以阻止毛细力扩散液体。这些对滴流床反应器扩散行为的贡献力的见解有助于改进反应器的设计和优化。

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引用次数: 0

Uniform superparamagnetic Fe3O4 nanoparticles synthesized via a hybrid coprecipitation–solvothermal method 用共沉淀法-溶剂热法合成均匀超顺磁性Fe3O4纳米颗粒

IF 4.3 2区材料科学 Q2 ENGINEERING, CHEMICAL

Particuology

Pub Date : 2026-01-30 DOI: 10.1016/j.partic.2026.01.026

Minh Phuc Tran, Nhat Quang-Khoi Le, Anh Thi Le, Minh Thang Bui, Nguyen Da Huyen Vo, Thi My Dung Dang

Controlling the size while maintaining its superparamagnetic behavior has been one of the key challenges in synthesizing magnetite (Fe₃O₄) nanostructures. This study presents a facile hybrid coprecipitation–solvothermal route to synthesize uniform magnetite nanoparticles. X-ray diffraction and Raman spectroscopy confirmed the formation of phase-pure magnetite with an inverse spinel structure. Fourier-transform infrared spectroscopy and thermogravimetric analysis verified the presence of a stable polyvinylpyrrolidone coating on the particle surface. Field-emission scanning electron microscopy revealed spherical, well-dispersed Fe₃O₄ NPs with a narrow size distribution centered at 22.92

\pm

3.16 nm. The NPs exhibited superior superparamagnetism at room temperature, characterized by a high saturation magnetization of 91.41 emu g⁻¹, alongside negligible coercivity and remanence. Furthermore, stability experiments involving exposure to Rhodamine B under both dark and UV-light conditions revealed that the nanoparticles fully retained their structural integrity, original morphology, and magnetic sensitivity. Based on these results, our hybrid approach is believed to be a promising methodology for developing stable, high-performance magnetic systems for targeted drug delivery and wastewater remediation.

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引用次数: 0

Morphological constants of porous media to predict effective properties for electrochemical devices 多孔介质的形态常数预测电化学器件的有效性能

IF 4.3 2区材料科学 Q2 ENGINEERING, CHEMICAL

Particuology

Pub Date : 2026-01-23 DOI: 10.1016/j.partic.2026.01.017

Jaeyeon Kim , Muhammad Aziz

A comprehensive investigation into the morphology-dependent transport behaviors of porous media is presented in this study. Three-dimensional porous structures representing granular, fibrous, and cellular (foam-like) morphologies, commonly employed in electrochemical devices, were computationally generated and characterized across a porosity range of 0.35–0.85. Structural metrics, including specific surface area, mean pore size, tortuosity, and constrictivity, were quantified and predicted via empirical equations. Transport phenomena, including electrical/thermal conduction, mass diffusion, and permeation, were simulated and quantified using finite-difference and lattice-Boltzmann methods. Results reveal that the properties are significantly governed by both porous morphology and porosity. Empirical correlations that incorporate morphological constants and porosity accurately predict effective properties (e.g., conductivity, diffusivity, and permeability). The proposed morphological constants enable simplified yet accurate predictions of key functional properties, validated against experimental and numerical literature data. This framework provides a practical basis for morphology-driven optimization of porous media across various applications, where simultaneous transport through both solid and pore phases is critical, such as in electrochemistry.

在这项研究中，对多孔介质的形态依赖输运行为进行了全面的研究。三维多孔结构代表颗粒状、纤维状和细胞状（泡沫状）形态，通常用于电化学器件，通过计算生成并表征孔隙度范围为0.35-0.85。结构指标，包括比表面积、平均孔径、弯曲度和收缩度，通过经验方程进行量化和预测。传输现象，包括电/热传导，质量扩散和渗透，模拟和量化使用有限差分和晶格玻尔兹曼方法。结果表明，其性能受孔隙形态和孔隙度的显著影响。结合形态常数和孔隙度的经验相关性可以准确预测有效性质（例如，电导率、扩散率和渗透率）。所提出的形态常数能够简化而准确地预测关键功能属性，并通过实验和数值文献数据进行验证。该框架为各种应用中多孔介质的形态驱动优化提供了实用基础，在这些应用中，同时通过固相和孔相的传输至关重要，例如在电化学中。

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引用次数: 0

Non-local propagation of dynamic fluctuations in granular discharge: A wave correlation analysis 颗粒放电中动态波动的非局部传播：一种波相关分析

IF 4.3 2区材料科学 Q2 ENGINEERING, CHEMICAL

Particuology

Pub Date : 2026-01-23 DOI: 10.1016/j.partic.2026.01.018

Yawen Xiao , Wanda Xu , Anqi Li , Yanlong Han , Yanqin Zhao , Xiaobo Xi , Ruihong Zhang

Understanding dynamic fluctuations in granular discharge is critical for addressing stability challenges in dense granular systems, which are central to industrial processes and natural phenomena. This study combines discrete element method (DEM) simulations with detrended cross-correlation analysis (DCCA) to quantitatively investigate the non-local propagation of dynamic fluctuations in both axial and radial directions. Results demonstrate that axial fluctuations exhibit scale-dependent temporal correlations, stabilizing at 1.5 s near the silo outlet and 1 s at higher positions, with a characteristic spatial wavelength of approximately 10 particle diameters. In contrast, radial fluctuations show weaker correlations, marked by anti-phase patterns across shear layers, while correlations strengthen with axial elevation due to enhanced collective particle motion. Dead zones near the outlet further influence radial spatial-scale correlations, reducing their intensity at higher elevations. This DCCA-based correlation analysis thus establishes a quantitative, single-parameter framework for characterizing fluctuation propagation in such complex, multi-source regimes. These findings provide a methodological basis for the quantitative analysis of fluctuation dynamics and offer quantifiable benchmarks for assessing discharge stability.

了解颗粒流量的动态波动对于解决致密颗粒系统的稳定性挑战至关重要，而致密颗粒系统是工业过程和自然现象的核心。本研究将离散元法（DEM）模拟与去趋势互相关分析（DCCA）相结合，定量研究了轴向和径向动态波动的非局部传播。结果表明，轴向波动具有尺度相关的时间相关性，在筒仓出口附近稳定在1.5 s，在更高位置稳定在1 s，特征空间波长约为10个颗粒直径。相反，径向波动表现出较弱的相关性，在剪切层之间表现为反相模式，而由于集体粒子运动增强，相关性随着轴向高度的增加而增强。出口附近的死区进一步影响径向空间尺度相关性，在高海拔处降低其强度。因此，这种基于dca的相关性分析建立了一个定量的单参数框架，用于表征这种复杂的多源机制中的波动传播。这些发现为波动动态的定量分析提供了方法学基础，并为评估放电稳定性提供了可量化的基准。

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引用次数: 0

Gas nozzle-assisted cluster regulations using dynamic cluster structure-dependent drag model in fluidized bed risers 流化床立管中基于动态簇结构的阻力模型的气体喷嘴辅助簇调节

IF 4.3 2区材料科学 Q2 ENGINEERING, CHEMICAL

Particuology

Pub Date : 2026-01-23 DOI: 10.1016/j.partic.2026.01.016

Xiaoxue Jiang , Tao Wu , You Wu , Xiaobing Wang , Jiayu Peng

Cluster characteristics in gas-nozzle-assisted risers were predicted via a computational criterion and dynamic cluster structure-dependent drag model. The effect of three different nozzle directions, including inclined upward gas nozzles, horizontal gas nozzles, and inclined downward gas nozzles, was simulated to study lateral and axial distributions of clusters. Different regions were found along riser height, including transition and mixing regions, in terms of the variation of solid volume fractions. In the transition and mixing regions, downward gas injection resulted in the smallest cluster diameters and velocities, while upward injection produced the largest. The cluster solid volume fractions and existence time fractions were larger for the upward gas jets (0.0916 and 0.347) than those for the horizontal (0.0761 and 0.203) and downward gas jets (0.0813 and 0.234). The cluster diameters and solid volume fractions of clusters decreased from 0.00883 m to 0.00831 m and from 0.078 to 0.069, respectively, while the velocities of clusters increased from 2.176 to 2.867 m/s with increasing jet gas velocities from 100 to 140 m/s for upward gas jets in the riser.

通过计算准则和基于簇结构的动态阻力模型对气喷嘴辅助立管簇特性进行了预测。模拟了向上倾斜喷嘴、水平倾斜喷嘴和向下倾斜喷嘴三种不同喷嘴方向对簇的影响，研究了簇的横向和轴向分布。固体体积分数的变化沿提升管高度有不同的区域，包括过渡区和混合区。在过渡区和混合区，向下注气形成的团簇直径和速度最小，向上注气形成的团簇直径和速度最大。向上射流的团簇固体体积分数和存在时间分数（0.0916和0.347）大于水平射流（0.0761和0.203）和向下射流（0.0813和0.234）。当隔水管内向上喷射气流速度从100 m/s增加到140 m/s时，簇直径和簇体体积分数分别从0.00883 m和0.078 m减少到0.00831 m和0.069 m，簇体速度从2.176 m/s增加到2.867 m/s。

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引用次数: 0

3D coarse-grained lattice Monte Carlo simulation of particle formation from droplet drying 液滴干燥过程中颗粒形成的三维粗粒晶格蒙特卡罗模拟

IF 4.3 2区材料科学 Q2 ENGINEERING, CHEMICAL

Particuology

Pub Date : 2026-01-22 DOI: 10.1016/j.partic.2026.01.015

Dongya Zhou, Jie Xiao

In pharmaceutical and material applications, the particle structure, especially cavities or gaps inside, directly influences particle function (e.g., delivery efficiency of inhalation powder), yet the formation mechanism of these structures has not been fully understood. This study employs a coarse-grained lattice Monte Carlo framework to simulate evaporation-driven particle formation, investigating the formation mechanism of internal cavities. By dynamically tracking solid bead migration and solvent evaporation in a 3D lattice system, the model systematically explores how solid bead size and cavity formation capacity influence structure formation. Results reveal that smaller solid beads or enhanced cavity formation capacity can alter uniform packing, promoting the appearance of cavities and gaps between solid structures. The developed methodology allows us to understand droplet drying dynamics from microscopic 3D perspective, correlating quantitatively process parameters with resulting particles’ internal structures, which is critical for particles’ functional performance in applications like drug delivery.

在制药和材料应用中，颗粒结构，特别是内部的空腔或间隙，直接影响颗粒的功能（如吸入粉末的递送效率），但这些结构的形成机制尚未完全了解。本研究采用粗粒度晶格蒙特卡罗框架模拟蒸发驱动的粒子形成，探讨内腔的形成机制。该模型通过动态跟踪三维晶格系统中固体微球的迁移和溶剂蒸发，系统地探索了固体微球尺寸和空腔形成能力对结构形成的影响。结果表明，更小的固体微珠或增强的空腔形成能力可以改变均匀堆积，促进空腔和固体结构之间的间隙的出现。所开发的方法使我们能够从微观3D角度了解液滴干燥动力学，定量地将工艺参数与所得到的颗粒内部结构相关联，这对于颗粒在药物输送等应用中的功能性能至关重要。

引用次数: 0

A magnetically assisted particle bed performance for mass transfer: Copper recovery from aqueous solution by cementation 磁辅助颗粒床传质性能：通过胶结从水溶液中回收铜

IF 4.3 2区材料科学 Q2 ENGINEERING, CHEMICAL

Particuology

Pub Date : 2026-01-22 DOI: 10.1016/j.partic.2026.01.013

Tanya M. Petrova , Dimka Fachikova , Jordan Hristov

Results of experiments on iron cementation of copper from aqueous solutions in magnetically controlled particle beds are presented in this study. The Helmholtz pair's axial magnetic field was employed. Despite the particle bed structures created for cementation, an increase in fluid flow rate results in a decrease in external mass transfer resistance, which raises copper recovery. In a typical fixed bed with constant fluid velocity, the field intensity significantly increases the copper recovery.

When iron is utilized as a particle bed in column operation, the bed structures play a significant part in the cementation process's effective operation. The mass transfer coefficients and separation efficiencies of the frozen beds (using the Magnetization LAST mode) and the moderately enlarged magnetically stabilized beds (MSB) are nearly comparable. Nonetheless, the frozen beds outperform MSB at modest particle Reynolds and Rosensweig numbers in the one-pass flow mode (no recirculation), while MSB is more suitable for long-time operations with flow recirculations.

本文介绍了在磁控颗粒床中对铜水溶液进行铁胶结的实验结果。利用亥姆霍兹对的轴向磁场。尽管为胶结形成了颗粒床结构，但流体流速的增加导致外部传质阻力的降低，从而提高了铜的采收率。在流体速度恒定的典型固定床中，磁场强度显著提高了铜的采收率。当铁作为柱状操作的颗粒床时，床层结构对胶结过程的有效运行起着至关重要的作用。冷冻床（采用磁化LAST模式）和适度放大磁稳定床（MSB）的传质系数和分离效率几乎相当。尽管如此，在单次流动模式（无再循环）中，在适度的颗粒雷诺数和Rosensweig数下，冻结床的性能优于MSB，而MSB更适合有再循环的长时间作业。

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引用次数: 0

One-dimensional unsteady modeling of drying and devolatilization of coal particles under pressurized oxy-fuel conditions in fluidized beds 流化床加压氧燃料条件下煤颗粒干燥与脱挥发的一维非定常模型

IF 4.3 2区材料科学 Q2 ENGINEERING, CHEMICAL

Particuology

Pub Date : 2026-01-20 DOI: 10.1016/j.partic.2026.01.012

Yanhong Li , Guosheng Luo , Shijie Wang , Lina You , Haochen Wang

This study develops a one-dimensional unsteady model to simulate the drying and devolatilization of large coal particles (4–12 mm) under pressurized oxy-fuel conditions in fluidized beds. The model reveals that devolatilization time scales quadratically with particle diameter (t ∝ d_p²), confirming heat conduction as the rate-limiting step. Increased system pressure significantly shortens drying and devolatilization times by up to 18 % and 31 %, respectively, but also amplifies intra-particle temperature gradients. Under identical operating conditions, differences between O₂/CO₂ and O₂/N₂ atmospheres were marginal (<5 %). Model predictions agree with experimental measurements within 20 % deviation. The results provide operational guidance for pressurized fluidized bed combustors, emphasizing the strong influence of particle size and pressure on process efficiency and heat transfer limitations, while also highlighting their implications for energy efficiency improvement, emission reduction, and the advancement of environmentally sustainable combustion technologies.

本文建立了一维非稳态模型，模拟了流化床加压氧燃料条件下大颗粒煤（4-12 mm）的干燥和脱挥发过程。模型表明，脱挥发时间随颗粒直径（t∝dp2）呈二次标度，证实了热传导是脱挥发的限速步骤。增加系统压力可显著缩短干燥和脱挥发时间，分别可达18%和31%，但也会放大颗粒内的温度梯度。在相同的操作条件下，O2/CO2和O2/N2气氛之间的差异很小（< 5%）。模型预测与实验测量值的偏差在20%以内。研究结果为加压流化床燃烧器提供了操作指导，强调了颗粒尺寸和压力对过程效率和传热限制的强烈影响，同时也强调了它们对能效提高、减排和环境可持续燃烧技术进步的影响。

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引用次数: 0

Single-handed spring actuated powder sampler for additive manufacturing 用于增材制造的单手弹簧驱动粉末取样器

IF 4.3 2区材料科学 Q2 ENGINEERING, CHEMICAL

Particuology

Pub Date : 2026-01-20 DOI: 10.1016/j.partic.2026.01.007

Dina W. Khattab, Owen L. Appel, Jeffrey P. Youngblood, Paul Mort, Michael S. Titus

Additive manufacturing (AM) is a rapidly expanding manufacturing technique due to its ability to produce complex-shaped parts on demand. Laser powder bed fusion (LPBF) is an additive manufacturing process that involves melting thin, ideally uniform, but not necessarily so, spread powder layers through selective laser or electron beam rastering. This process requires spreading high-quality powders, preferably those with a narrow size distribution and spherical morphology, to form a compact powder bed suitable for selective melting and the formation of high-density components. During the AM process, powder morphology and size may change due to agglomeration, partial sintering, spatter formation, and other defects; therefore, careful monitoring of these changes is essential to maintain suitable flowability and spreadability. Standard powder sampling devices, for example, as used in pharmaceutical and agricultural industries, are too large to extract AM samples without significant interlayer particle mixing. Therefore, a new compact, single-handedly actuated powder sampler was designed and fabricated for use within a selective laser melting printing chamber to sample AM powders at shallow depths. Samples can be analyzed for changes in size distribution, morphology, and composition (e.g., surface degradation) after each build.

增材制造（AM）是一种快速发展的制造技术，因为它能够按需生产复杂形状的零件。激光粉末床熔合（LPBF）是一种增材制造工艺，包括通过选择性激光或电子束光栅熔化薄而均匀的粉末层，但不一定如此。该工艺需要铺撒高质量的粉末，最好是那些具有窄尺寸分布和球形形貌的粉末，以形成致密的粉末床，适合于选择性熔化和形成高密度组件。在增材制造过程中，粉末形貌和尺寸可能会因团聚、部分烧结、飞溅形成等缺陷而改变；因此，仔细监测这些变化对于保持适当的流动性和可扩展性至关重要。例如，在制药和农业工业中使用的标准粉末取样装置太大，无法在没有显著层间颗粒混合的情况下提取AM样品。因此，设计和制造了一种新的紧凑的，单手驱动的粉末取样器，用于在选择性激光熔化印刷室中对浅深度的AM粉末进行取样。每次构建后，可以分析样品的尺寸分布、形态和组成（例如，表面降解）的变化。

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引用次数: 0

Challenging the physical origin of tumbling in idealized settling of two spherical particles 在两个球形粒子的理想沉降中挑战翻滚的物理起源

IF 4.3 2区材料科学 Q2 ENGINEERING, CHEMICAL

Particuology

Pub Date : 2026-01-20 DOI: 10.1016/j.partic.2026.01.006

Sina Hassanzadeh Saraei , Bernhard Peters

The drafting, kissing, and tumbling (DKT) behavior of falling spherical particles is widely used to validate CFD–DEM models. Although many studies report tumbling in idealized systems with spherical particles, the physical origin of this motion remains unclear, especially when the density difference between the particles and the fluid is small. In this work, we revisit the classic DKT configuration using a fully resolved CFD–DEM model based on the immersed boundary method. Our analysis systematically examines whether the observed tumbling is a genuine physical phenomenon or a numerical artifact. Our results indicate that, in the absence of real world imperfections such as surface roughness or shape irregularities, tumbling is primarily caused by numerical errors rather than inherent flow instabilities. This finding challenges the conventional interpretation of DKT as a purely physical benchmark and highlights the need for caution when using tumbling to validate CFD–DEM models. By distinguishing numerical artifacts from physical effects, this study provides new guidance for model validation and has important implications for extending CFD–DEM to dense particle systems.

下落球形粒子的牵伸、亲和和翻滚（DKT）行为被广泛用于验证CFD-DEM模型。尽管许多研究报道了球形颗粒的理想系统中的翻滚，但这种运动的物理起源仍不清楚，特别是当颗粒和流体之间的密度差很小时。在这项工作中，我们使用基于浸入边界法的全分辨CFD-DEM模型重新审视了经典的DKT配置。我们的分析系统地检查是否观察到的翻滚是一个真正的物理现象或数字人工制品。我们的研究结果表明，在不存在诸如表面粗糙度或形状不规则等现实世界缺陷的情况下，翻滚主要是由数值误差而不是固有的流动不稳定性引起的。这一发现挑战了DKT作为纯粹物理基准的传统解释，并强调了在使用翻滚验证CFD-DEM模型时需要谨慎。通过区分数值伪影和物理效应，该研究为模型验证提供了新的指导，并对将CFD-DEM扩展到致密颗粒系统具有重要意义。

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引用次数: 0