Particuology最新文献_第10页

Enhancing silicone rubber performance through surface grafting of γ-MPS onto nano-SiO2 particles 通过在纳米sio2颗粒上接枝γ-MPS提高硅橡胶性能

IF 4.3 2区材料科学 Q2 ENGINEERING, CHEMICAL

Particuology

Pub Date : 2025-09-05 DOI: 10.1016/j.partic.2025.08.021

Mei Zhao , Chenglin Zheng , Chenghui Wang , Yuxin Gan , Fangke Wang , Jun Yang , Rui Tan , Ting-Jie Wang

The reinforcing of silicone rubber using nano-SiO₂ is currently constrained by the weak interfacial interactions dominated by hydrogen bonding and van der Waals forces between particles and the matrix. This limitation hinders the development of silicone rubbers with high-strength and high-transparency. In this study, a novel organic modification approach involving “hydrolysis mixing, spray drying, and thermal treatment” was developed to graft γ-(methacryloxypropyl)trimethoxysilane (γ-MPS), containing double-bonds, onto the surface of precipitated SiO₂ particles. During curing, these surface-grafted double-bonds react with the double-bonds on the silicone rubber side chains, forming an interfacial cross-linking network between inorganic particles and the organic matrix. Experimental results show that composites incorporating SiO₂ particles modified with 2 wt% γ-MPS adding exhibit the highest tensile strength of 9.47 MPa, attributed to the optimal particle dispersion and formation of interfacial cross-linked network. Particle dispersion which is quantified by a dispersion index reached the lowest values at 2 % γ-MPS, indicating the uniform dispersion. Consistently, curing rheology showed the maximum effective torque reaching 3.16 dN m at 2 %, reflecting the highest double bond interfacial cross-link density. Silicone rubber composites with 0.5 %–2 % γ-MPS modified particles exhibit optimal tensile strength and transparency. However, the increasing amount of γ-MPS leads to intensified condensation of hydrolyzed silane species, resulting in particle agglomeration and multilayer grafting on the particle surfaces, which adversely affects mechanical performance and transparency. To prepare high-strength and high-transparency silicone rubber, effective suppression of the condensation of silane coupling agent hydrolysis products and achievement of monolayer grafting on particle surfaces are necessary.

目前，纳米sio2对硅橡胶的增强受限于颗粒与基体之间以氢键和范德华力为主的弱界面相互作用。这一限制阻碍了高强度、高透明度硅橡胶的发展。在这项研究中，开发了一种新的有机改性方法，包括“水解混合，喷雾干燥和热处理”，将含有双键的γ-（甲基丙烯氧基丙基）三甲氧基硅烷（γ- mps）接枝到沉淀SiO2颗粒的表面。在固化过程中，这些表面接枝的双键与硅橡胶侧链上的双键发生反应，形成无机颗粒与有机基体之间的界面交联网络。实验结果表明，添加2 wt% γ-MPS改性SiO2颗粒的复合材料拉伸强度最高，达到9.47 MPa，这主要归功于颗粒的分散和界面交联网络的形成。用色散指数量化的粒子色散在2% γ-MPS时达到最小值，表明分散均匀。同样，固化流变学表明，在2%时，最大有效扭矩达到3.16 dN m，反映了最高的双键界面交联密度。含有0.5% - 2% γ-MPS改性颗粒的硅橡胶复合材料具有最佳的抗拉强度和透明度。然而，γ-MPS用量的增加会导致硅烷水解产物的缩聚加剧，导致颗粒团聚和颗粒表面的多层接枝，从而对力学性能和透明度产生不利影响。为了制备高强度、高透明度的硅橡胶，必须有效抑制硅烷偶联剂水解产物的缩聚，实现颗粒表面的单层接枝。

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引用次数: 0

Thermodynamic and kinetic studies on crystallization process of SrCl2·6H2O particulate model and influence of ultrasonic treatment on its anti-agglomeration performance under optimized conditions 优化条件下SrCl2·6H2O颗粒模型结晶过程的热力学和动力学研究及超声处理对其抗团聚性能的影响

IF 4.3 2区材料科学 Q2 ENGINEERING, CHEMICAL

Particuology

Pub Date : 2025-09-05 DOI: 10.1016/j.partic.2025.08.020

Jieming Ren , Xingwu Zou , Binbin Shi , Yongjuan Zhang , Shuxuan Wang , Yan Jing

Crystallization remains a fundamental separation and purification technique in chemical manufacturing. A comprehensive understanding of aqueous solution thermodynamics, metastable zone width (MSZW), and nucleation mechanisms is essential for optimizing crystallization processes, defining operational control parameters, and enabling subsequent crystal morphology control. This study systematically investigates the crystallization behavior of SrCl₂·6H₂O through in situ monitoring using process analytical technology (PAT). Key parameters, including MSZW, thermodynamic properties (solubility, supersaturation), and nucleation kinetics, were quantitatively determined to develop a predictive process model. To address the critical industrial challenge of product agglomeration arising from poor particle morphology, which complicates storage, transportation, and downstream processing while compromising product quality and increasing operational costs, an ultrasonic regulation strategy was implemented under optimized crystallization conditions. Post-treatment with optimized ultrasonic parameters yielded a marked reduction in particle aspect ratio, substantial improvement in dispersion, and a clear morphological transition from rod-like to granular crystals. This transformation significantly enhanced anti-agglomeration performance, thereby increasing product value. The regulatory mechanism of ultrasound is attributed to the "fragmentation-growth" mechanism, where ultrasonic cavitation induces controlled particle fragmentation followed by directional growth.

结晶仍然是化工生产中最基本的分离纯化技术。全面了解水溶液热力学、亚稳区宽度（MSZW）和成核机制对于优化结晶过程、确定操作控制参数和实现后续晶体形态控制至关重要。本研究采用过程分析技术（PAT）对SrCl2·6H2O的结晶行为进行了原位监测。关键参数，包括MSZW，热力学性质（溶解度，过饱和）和成核动力学，被定量确定，以建立预测过程模型。为了解决因颗粒形貌不良而导致的产品团聚问题，该问题使储存、运输和下游加工复杂化，同时影响产品质量并增加运营成本，在优化结晶条件下实施了超声波调节策略。经过优化的超声参数处理后，颗粒长宽比显著降低，分散度显著提高，从棒状晶体到颗粒状晶体的形态转变明显。这一改造显著提高了抗团聚性能，从而提高了产品价值。超声的调控机制可归结为“破碎-生长”机制，即超声空化诱导颗粒可控破碎，然后定向生长。

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引用次数: 0

Discrete element analysis of rotational centrifugal method for enhanced powder packing densification in a pre-HIP capsule 旋转离心法在预hip胶囊中增强粉末包装致密化的离散元分析

IF 4.3 2区材料科学 Q2 ENGINEERING, CHEMICAL

Particuology

Pub Date : 2025-09-05 DOI: 10.1016/j.partic.2025.09.002

Wenqing Tian , Runyu Yang , Chao Cai , Yusheng Shi

Hot isostatic pressing (HIP) is a critical powder metallurgy technique for manufacturing high-performance components. However, achieving uniform powder distribution within complex capsules is challenging, particularly in critical low-density regions where inadequate powder filling leads to non-uniform deformation and potential part rejection after HIP. This study investigated the powder filling and packing densification behavior of Ti-6Al-4V particles through discrete element method (DEM) simulations to develop an enhanced densification technique targeting these critical regions. A new rotational centrifugal method was proposed to address this challenge. Results demonstrated that vertical vibration achieved limited improvement, and horizontal vibration exhibited non-uniform powder distribution. The proposed rotational centrifugal method at 200 rpm proved most effective, achieving the highest relative density with superior uniformity and rapid densification. The analysis in rotational motion revealed that rapid densification originates from consistent centrifugal forces. Upon stopping rotation, particles undergo localized vigorous motion, resulting in a slight decrease in relative density. To address this, an optimized deceleration scheme was developed. It achieved a relative density of 0.549, representing improvements of 70.5 % over vertical vibration and 4.2 % over horizontal vibration. These findings provide valuable insights for optimizing pre-HIP processing parameters for complex components, offering a promising solution for addressing powder filling challenges.

热等静压（HIP）是制造高性能零件的一项关键粉末冶金技术。然而，在复杂的胶囊内实现均匀的粉末分布是具有挑战性的，特别是在关键的低密度区域，在那里，粉末填充不足会导致不均匀变形和髋关节置换术后潜在的零件报废。本研究通过离散元法（DEM）模拟研究了Ti-6Al-4V颗粒的粉末填充和堆积致密化行为，以开发针对这些关键区域的强化致密化技术。为了解决这一问题，提出了一种新的旋转离心方法。结果表明，垂直振动对粉末的改善有限，水平振动对粉末的分布不均匀。所提出的旋转离心方法在200 rpm被证明是最有效的，实现最高的相对密度与优越的均匀性和快速致密化。旋转运动的分析表明，快速致密化源于持续的离心力。在停止旋转后，粒子进行局部剧烈运动，导致相对密度略有下降。为了解决这一问题，开发了一种优化的减速方案。相对密度为0.549，比垂直振动提高了70.5%，比水平振动提高了4.2%。这些发现为优化复杂部件的预hip加工参数提供了有价值的见解，为解决粉末填充挑战提供了有前途的解决方案。

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引用次数: 0

Oil shale separation performance and apparent viscosity characteristics in a ternary dense medium high-density gas–solid fluidized bed 三元重介质高密度气固流化床油页岩分离性能及表观粘度特性

IF 4.3 2区材料科学 Q2 ENGINEERING, CHEMICAL

Particuology

Pub Date : 2025-09-05 DOI: 10.1016/j.partic.2025.08.022

Pengfei Zhao , Guangjian Ren , Chuanxin Fang , Zongsheng Sun , Fan Yang , Guangqing Zhu , Chenyang Zhou , Bo Zhang

Efficient dry separation is essential for utilizing low-grade oil shale. This study developed a ternary high-density gas–solid fluidized bed system using ferrosilicon powder, magnetite powder, and D-class oil shale particles, focusing on the impact of apparent viscosity on particle settling. Results showed that viscosity was influenced by medium composition, particle size, and flow structure. In the binary system of B⁻ silicon and B⁺ magnetite, minimum viscosity (0.782 Pa s) was reached at a 40 % ferrosilicon ratio. In the ternary system, viscosity increased nonlinearly with oil shale content, with 8 % being the critical threshold where fluidization stability declined. Gas velocity significantly affected viscosity distribution, with moderate increases improving flow uniformity and reducing viscosity by 32 %–40 %. However, excessive velocity caused bubble coalescence and increased viscosity fluctuations, with standard deviation rising from 0.0065 to 0.0191 Pa s. Sedimentation tests showed that the middle bed region provided optimal separation at low gas velocity, while higher velocities shifted separation to the upper region. When gas velocity exceeds 0.45 m/s, the best separation efficiency is achieved. This study clarifies the relationship between viscosity and separation performance, providing guidance for optimizing dry oil shale separation.

高效干法分离是低品位油页岩开发利用的关键。本研究以硅铁粉、磁铁矿粉和d级油页岩颗粒为原料，建立了三元高密度气固流化床系统，重点研究表观粘度对颗粒沉降的影响。结果表明，粘度受介质组成、颗粒大小和流动结构的影响。在B -硅和B+磁铁矿二元体系中，当硅铁比为40%时，粘度最小（0.782 Pa s）。在三元体系中，粘度随油页岩含量的增加呈非线性增加，流化稳定性下降的临界阈值为8%。气速对粘度分布有显著影响，适度增加气速可改善流动均匀性，使粘度降低32% ~ 40%。但速度过大导致气泡聚结，黏度波动增大，标准差从0.0065上升至0.0191 Pa s。沉降试验表明，低气速下，中床区分离效果最佳，高气速下，分离向上层转移。当气速大于0.45 m/s时，分离效率最佳。该研究阐明了粘度与分离性能的关系，为优化油页岩干式分离提供了指导。

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引用次数: 0

Time dependent behaviors and formulation comparison of solid propellants based on discrete element method 基于离散元法的固体推进剂时间依赖行为及配方比较

IF 4.3 2区材料科学 Q2 ENGINEERING, CHEMICAL

Particuology

Pub Date : 2025-09-05 DOI: 10.1016/j.partic.2025.08.019

Yu Pan, Xihua Chu, Li Xiao

Solid propellant is a high-energy composite material composed of solid particles, which can exhibit time dependent behaviors such as creep and stress relaxation during long-term storage. To model and analyze time dependent behavior of solid propellants, the modified soft-bond model (MSBM) based on the rate process theory (RPT) was implemented in Particle Flow Code (PFC). Numerical results show the predicted creep and stress relaxation behaviors by MSBM are in good agreement with experimental data, demonstrating that the MSBM can accurately capture time dependent behaviors in solid propellants. Furthermore, three categories of DEM samples were generated by varying formulations such as particle size, volume fraction and gradation, and a damage parameter was constructed to assess the characteristics of creep and stress relaxation. Among all formulations, the DEM simulation identified the graded formulation exhibiting the minimal damage parameter and optimal creep and stress relaxation resistance. These findings provide guidance for formula design of solid propellant.

固体推进剂是一种由固体颗粒组成的高能复合材料，在长期储存过程中会表现出蠕变和应力松弛等随时间变化的行为。为了模拟和分析固体推进剂的时间依赖行为，在粒子流程序（PFC）中实现了基于速率过程理论（RPT）的修正软键模型（MSBM）。数值计算结果表明，MSBM预测的蠕变和应力松弛行为与实验数据吻合较好，表明MSBM可以准确地捕捉固体推进剂的时间相关行为。在此基础上，采用不同的粒度、体积分数和级配等公式生成了3类DEM样本，并构建了损伤参数来评估蠕变和应力松弛特征。在所有配方中，DEM模拟确定了损伤参数最小、抗蠕变和应力松弛性能最佳的分级配方。研究结果对固体推进剂的配方设计具有指导意义。

引用次数: 0

High-yield synthesis of silica nanoparticles from geothermal silica via a facile co-precipitation method: Statistical optimization and kinetic analysis 利用易溶共沉淀法从地热二氧化硅中高效合成二氧化硅纳米颗粒：统计优化和动力学分析

IF 4.3 2区材料科学 Q2 ENGINEERING, CHEMICAL

Particuology

Pub Date : 2025-09-04 DOI: 10.1016/j.partic.2025.08.018

Himawan Tri Bayu Murti Petrus , Amelia Andriani , Vincent Sutresno Hadi Sujoto , Monica Inggrini , Muhammad Syauqi , Widi Astuti , Siti Nurul Aisyiyah Jenie , Kevin Cleary Wanta , Ferian Anggara , Indra Perdana , Panut Mulyono , Yuni Kusumastuti

Silica nanoparticles play a vital role in a range of industries, including agriculture, pharmaceuticals, biomedicine, ceramics, and advanced materials. However, conventional synthesis methods typically rely on expensive and environmentally burdensome chemical precursors. This study explores the hypothesis that geothermal sludge, a by-product of geothermal power plants, can serve as a sustainable and efficient source for producing high-purity silica nanoparticles through a simplified synthesis approach. The process involves three key purification stages—water washing, acid leaching, and conversion to sodium silicate—followed by co-precipitation to obtain the final silica product. To optimize the synthesis, experimental conditions were statistically evaluated using response surface methodology to identify the effect of pH and sodium silicate ratio on the silica yield. The highest yield (100 %) and purity (97.03 %) were achieved under neutral pH conditions and a sodium silicate ratio of 1:1 by volume. Material characterization was conducted using elemental analysis, X-ray diffraction, and electron microscopy to confirm the structural and morphological properties. In addition, kinetic modeling revealed the influence of agitation speed and temperature on silica precipitation dynamics, and a dimensionless correlation was developed to quantify the mass transfer coefficient during the process. The findings demonstrate a promising and more sustainable pathway for silica nanoparticle production using industrial waste as feedstock. While direct financial metrics were not assessed, the use of readily available by-products and simplified process conditions suggest potential for economic advantages, meriting further techno-economic evaluation in future work.

二氧化硅纳米颗粒在农业、制药、生物医药、陶瓷和先进材料等一系列行业中发挥着至关重要的作用。然而，传统的合成方法通常依赖于昂贵且对环境不利的化学前体。本研究探讨了地热发电厂的副产品地热污泥可以作为一种可持续和高效的来源，通过简化的合成方法来生产高纯度的二氧化硅纳米颗粒。该工艺包括三个关键的净化阶段：水洗、酸浸和转化为硅酸钠，然后共沉淀法得到最终的二氧化硅产品。为了优化合成工艺，采用响应面法对实验条件进行了统计评价，以确定pH和水玻璃配比对二氧化硅收率的影响。在中性pH条件下，水玻璃体积比为1:1，收率为100%，纯度为97.03%。利用元素分析、x射线衍射和电子显微镜对材料进行了表征，以确定材料的结构和形态特性。此外，动力学模型揭示了搅拌速度和温度对二氧化硅沉淀动力学的影响，并建立了无因次关联关系来量化过程中的传质系数。这一发现为利用工业废料作为原料生产二氧化硅纳米颗粒提供了一条更有前途和更可持续的途径。虽然没有评估直接的财务指标，但利用现成的副产品和简化的工艺条件表明可能具有经济优势，值得在今后的工作中进一步进行技术经济评价。

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引用次数: 0

Revolution of coarse-grained CFD-DEM technology and its application in fluidized beds: A comprehensive review 粗粒度CFD-DEM技术的革命及其在流化床中的应用综述

IF 4.3 2区材料科学 Q2 ENGINEERING, CHEMICAL

Particuology

Pub Date : 2025-09-02 DOI: 10.1016/j.partic.2025.08.017

Guanlong Ren , Ji Xu , Jiayu Xu , Yi Ouyang , Henrik Ström , Wei Ge , Haijun Sun , Qingang Xiong

Due to their superior mixing and heat transfer capabilities, fluidized beds are extensively utilized in chemical engineering, power generation, etc. Numerical simulations have long been essential for elucidating the nonlinear multiphase transfer processes within reactors. However, as the research perspective expands from lab-to pilot- and industrial-scale, the exponential increase in particle numbers constrains the applicability of multiphase flow models such as discrete element method (DEM), direct numerical simulation, etc. As an extension of traditional DEM methods, the coarse-grained (CG) DEM strategy effectively balances computational efficiency and accuracy. In order to promote the advancement of CG DEM in the field of fluidized beds, its development and applications are comprehensively reviewed in this work. First, the foundational principles of the CG method—similarity and energy conservation—are outlined. The scaling paradigms of the collision parameters, force formulations, and gas-solid properties are systematically listed in chronological order. Subsequently, the applications of the CG method across lab-, pilot-, and industrial-scale fluidized beds under both cold and heated conditions are summarized. Finally, future challenges and opportunities are highlighted. This review aims to accelerate the adoption of CG techniques in industrial-scale reactors while providing theoretical insights for optimizing existing models and developing novel scaling laws.

由于其优越的混合和传热能力，流化床被广泛应用于化工、发电等领域。长期以来，数值模拟一直是阐明反应器内非线性多相转移过程的必要手段。然而，随着研究视角从实验室扩展到中试和工业规模，颗粒数的指数增长限制了离散元法（DEM）、直接数值模拟等多相流模型的适用性。作为传统DEM方法的扩展，粗粒度DEM策略有效地平衡了计算效率和精度。为了促进CG DEM在流化床领域的发展，本文对其发展和应用进行了全面的综述。首先，概述了CG方法的基本原理——相似度和能量节约。碰撞参数的标度范式，力公式，和气固性质系统地按时间顺序列出。随后，总结了CG方法在实验室、中试和工业规模流化床在冷、热条件下的应用。最后，强调了未来的挑战和机遇。本综述旨在加速CG技术在工业规模反应器中的应用，同时为优化现有模型和开发新的标度定律提供理论见解。

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引用次数: 0

Research on the mechanism of pre-grinding and multi-stage flotation of coal gasification fine slag 煤气化细渣预磨多级浮选机理研究

IF 4.3 2区材料科学 Q2 ENGINEERING, CHEMICAL

Particuology

Pub Date : 2025-08-30 DOI: 10.1016/j.partic.2025.08.016

Weiwei Xie, Yifan Yu, Zidong Zhang, Yongji Yan, Gunaer Bahater, Lingmei Zhou

The paper focused on the fine-grinding pretreatment of coal gasification fine slag (CGFS) from gasification settling tank in Shaanxi Yulin, China. The mechanism by which grinding promotes the flotation performance of CGFS was explored through particle size distribution analysis, surface morphology examination, and porosity analysis. A multi-stage flotation process was employed to determine the optimal flotation regime. The experimental results demonstrated that grinding significantly reduced the overall particle size and improved the structure and composition of CGFS. After grinding, the particle size D [4, 3] decreased to 47.612 μm, and the average pore diameter increased by 0.1335 nm. The grinding process effectively dissociated the glassy intergrowth structures, resulting in a significant reduction in reagent consumption. With a compound collector dosage of 9 kg/t and frother dosage of 3 kg/t, the optimized flotation process—including one roughing stage and three cleaning stages—yielded a clean coal ash content of 16.96 % and a tailing loss on ignition value of 2.29 %, meeting the standards for Class I fly ash.

对陕西榆林某煤气化沉降池的煤气化细渣进行了细磨预处理。通过粒度分布分析、表面形貌检测和孔隙率分析，探讨磨矿提高CGFS浮选性能的机理。采用多级浮选工艺确定了最佳浮选制度。实验结果表明，磨削显著降低了CGFS的总体粒径，改善了CGFS的结构和组成。研磨后，粒径D[4,3]减小至47.612 μm，平均孔径增大0.1335 nm。研磨过程有效地解离了玻璃状的共生结构，从而显著减少了试剂的消耗。在复合捕收剂投加量为9 kg/t、起泡剂投加量为3 kg/t的条件下，优化后的浮选工艺包括1个粗选阶段和3个精选阶段，净煤灰分含量为16.96%，尾矿燃失值为2.29%，达到一级粉煤灰标准。

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引用次数: 0

Effect of particle shape on abrasive wear of screw flights during scaffold growth in a COREX shaft furnace COREX竖炉支架生长过程中颗粒形状对螺杆磨损的影响

IF 4.3 2区材料科学 Q2 ENGINEERING, CHEMICAL

Particuology

Pub Date : 2025-08-30 DOI: 10.1016/j.partic.2025.08.014

Yun Cheng , Wenjie Rong , Pengcheng Jia , Baokuan Li , Fengsheng Qi

The scaffolding presence in the operation of the COREX shaft furnace is a serious problem, which exacerbates asymmetric loading on certain screw flights, causing uneven wear distribution and also exerts substantial influences on normal industrial production. To study the effects on the abrasive wear of screw flights by scaffolding growth process and particle shapes of burden, this paper employs the discrete element method (DEM) to establish a three-dimensional COREX shaft furnace model, simulating discharge process under eight working conditions and calculating the abrasive wear using Archard wear equation. The results show that different particle shapes affect the pressure evolutions experienced by the screw flights so as the distribution and magnitude of the abrasive wear. Under non-spherical particle conditions, the pressure will produce fluctuations with higher amplitude during the second stage of the discharge process, make the average pressure higher than that of spherical particles. With the continuous growing of the scaffold, the burden distribution changes as well as the pressure on the flights, leading to the impact on the abrasive wear. The abrasive wear on the screw flights near the scaffolding is lower, while that further from the scaffolding is higher. There is also a certain deviation on the macroscopic distribution of screw flights wear.

COREX竖炉在运行过程中存在的脚手架是一个严重的问题，它加剧了某些螺杆上的不对称载荷，造成磨损分布不均匀，也对正常的工业生产产生了重大影响。为了研究脚手架生长过程和炉料颗粒形状对螺杆磨料磨损的影响，本文采用离散元法（DEM）建立了COREX竖炉三维模型，模拟了8种工况下的出料过程，并利用Archard磨损方程计算了磨粒磨损。结果表明：不同颗粒形状会影响螺杆飞行时的压力变化，从而影响磨粒磨损的分布和大小；非球形颗粒工况下，第二阶段排料过程中压力会产生较大幅度的波动，使平均压力高于球形颗粒工况。随着支架的不断增大，载荷分布发生变化，支架上的压力也发生变化，从而对磨粒磨损产生影响。靠近脚手架的螺杆磨料磨损较小，而远离脚手架的螺杆磨料磨损较大。螺杆磨损的宏观分布也存在一定偏差。

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引用次数: 0

Improved drag force calculation in CFD-DEM using coarse cell for dilute large-sized particles: Effective projected area for drag force distribution 采用粗单元对稀大颗粒CFD-DEM中阻力计算的改进：阻力分布的有效投影面积

IF 4.3 2区材料科学 Q2 ENGINEERING, CHEMICAL

Particuology

Pub Date : 2025-08-29 DOI: 10.1016/j.partic.2025.08.013

Shen Zhang, Nan Gui, Yiyang Luo, Xingtuan Yang, Shengyao Jiang

This study addresses a critical challenge in CFD-DEM simulations: the accurate assignment of drag force to fluid mesh cells when the cell size exceeds particle sizes. Traditional particle centroid method (PCM) approaches often lead to abrupt drag force variations as particles cross cell boundaries due to their discrete nature. To overcome this limitation, we propose a novel algorithm that computes an analytical solution for the effective projected area (EPA) of particles within computational cells, aligned with the relative velocity direction. The drag force is then proportionally scaled according to this EPA calculation. The paper presents a specific implementation case of our algorithm, focusing on scenarios where a cell vertex resides within a particle boundary. For EPA determination, we introduce an innovative classification approach based on face-windward surface relations. Extensive validation involved 100,000 test cases with varying cell-particle relative positions (all constrained by the vertex-in-particle condition), systematically classified into 18 types using our scheme. Results demonstrate that all computed EPA values remain within theoretical bounds, confirming the classification's comprehensiveness. Through 5 classic particle movement simulations, we show that our method maintains continuous EPA variation across time steps - a marked improvement over PCM's characteristic discontinuities. Implementation within the CFD-DEM framework for single-particle sedimentation yields terminal velocities that closely match experimental data while ensuring smooth drag force transitions between fluid cells. Compared to PCM, the present method reduces the relative error in terminal settling velocity by approximately 43 %. Moreover, comparative studies of dual-particle sedimentation demonstrate our algorithm's superior performance relative to conventional PCM approaches. For Particle 1, the terminal vertical velocity predicted by the present method reduces the relative error by approximately 17 % compared to PCM. These advances significantly enhance simulation fidelity for particle-fluid interaction problems where cell-particle size ratios challenge traditional methods.

本研究解决了CFD-DEM模拟中的一个关键挑战：当单元尺寸超过颗粒尺寸时，流体网格单元的阻力准确分配。由于粒子质心的离散性，传统的粒子质心法在粒子跨越胞体边界时往往会导致阻力突变。为了克服这一限制，我们提出了一种新的算法，计算计算单元内粒子的有效投影面积（EPA）的解析解，与相对速度方向对齐。阻力然后按比例缩放根据这个EPA计算。本文给出了我们的算法的具体实现案例，重点关注细胞顶点驻留在粒子边界内的场景。为了确定EPA，我们引入了一种基于面向风表面关系的创新分类方法。广泛的验证涉及100,000个具有不同细胞-粒子相对位置的测试用例（所有测试用例都受顶点-粒子条件的约束），使用我们的方案系统地分为18种类型。结果表明，所有计算的EPA值都在理论范围内，证实了分类的全面性。通过5个经典的粒子运动模拟，我们表明我们的方法在时间步长上保持了连续的EPA变化，这是对PCM特征不连续性的显著改进。在单颗粒沉降的CFD-DEM框架内实现，可以产生与实验数据密切匹配的终端速度，同时确保流体单元之间的阻力平滑转换。与PCM方法相比，该方法将终端沉降速度的相对误差降低了约43%。此外，双粒子沉降的对比研究表明，我们的算法相对于传统的PCM方法具有优越的性能。对于粒子1，用该方法预测的终端垂直速度与PCM相比，相对误差降低了约17%。这些进展显著提高了颗粒-流体相互作用问题的模拟保真度，在这些问题上，细胞-颗粒尺寸比挑战了传统方法。

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引用次数: 0