Particuology最新文献_第6页

Characterization of Metarhizium anisopliae spore extraction in a rotary drum using DEM method 利用DEM方法对绿僵菌转鼓孢子提取过程进行表征

IF 4.3 2区材料科学 Q2 ENGINEERING, CHEMICAL

Particuology

Pub Date : 2026-02-01 Epub Date: 2025-12-13 DOI: 10.1016/j.partic.2025.12.005

Daiane Bortolote Ferreira , Ana Paula Messias , Dyrney Araújo dos Santos , Nicole Vorhauer-Huget , Evangelos Tsotsas , João Cláudio Thoméo

The fungus Metarhizium anisopliae is commonly cultivated on rice, and the extraction of its spores remains a critical step with room for optimization in biofactories. Rotary drums are emerging as a promising technology. This study evaluated the effect of drum rotation speed (30 and 60 rpm) and particle moisture content (0.250; 0.111; and 0.053 kg-w/kg-ds) on the collision forces and frequencies of rice particles during the extraction process. To this end, the Discrete Element Method (DEM) was applied to simulate particle motion and collisions. The simulations were carried out using a rotary drum with a diameter of 20 cm and a length of 33 cm, equipped with two straight lifters. Spherical particles with structural and material properties referring to conidiated rice particles of different moisture contents were used. The DEM input parameters, restitution as well as static and rolling friction coefficients for particle-particle and particle-wall contacts, were experimentally determined. The experiments indicated that the moisture content of the particles predominantly affects the sliding friction coefficient, while the softness resulting from the cooking of the rice mainly influences the coefficient of restitution. The rolling friction coefficient, in turn, was primarily impacted by the sphericity of the particles. Additionally, the reduction in moisture content, by decreasing the drum's filling degree, promoted the expansion of the active layer, the region associated with more intense particle collisions. The results indicated that, despite the higher collision velocities observed at 60 rpm, the frequency of impacts with sufficient energy to overcome adhesive forces did not significantly increase compared to the 30 rpm condition. As a major outcome, DEM simulations clearly revealed that the reduction of particle size, associated with decreasing moisture content, resulted in a considerable drop of the filling degree, yielding an expansion of the active layer and therefore enhanced particle mobility. This is an important finding with great interest for the scale-up of continuous spore extraction in rotary drums.

金龟子绿僵菌（Metarhizium anisopliae）通常在水稻上种植，其孢子的提取仍然是生物工厂中有优化空间的关键步骤。旋转鼓是一项新兴的有前途的技术。本研究考察了滚筒转速（30和60 rpm）和颗粒含水量（0.250、0.111和0.053 kg-w/kg-ds）对提取过程中大米颗粒碰撞力和碰撞频率的影响。为此，采用离散元法（DEM）模拟粒子运动和碰撞。模拟使用直径为20厘米，长度为33厘米的旋转鼓进行，配备两个直举升器。采用结构和材料性质相同的球形颗粒，参照不同含水率的分生水稻颗粒。实验确定了颗粒-颗粒和颗粒-壁面接触的DEM输入参数、恢复以及静态和滚动摩擦系数。实验表明，颗粒的含水量主要影响滑动摩擦系数，而大米蒸煮后的柔软度主要影响恢复系数。反过来，滚动摩擦系数主要受颗粒球形度的影响。此外，含水率的降低，通过降低滚筒的填充程度，促进了活性层的膨胀，该区域与更强烈的颗粒碰撞有关。结果表明，尽管在60 rpm条件下观察到更高的碰撞速度，但与30 rpm条件相比，具有足够能量克服粘附力的碰撞频率并没有显著增加。主要结果是，DEM模拟清楚地表明，颗粒尺寸的减小与含水率的降低相关，导致填充程度的显著下降，从而导致活性层的膨胀，从而增强了颗粒的流动性。这是一个重要的发现，对扩大在旋转鼓中连续提取孢子有很大的兴趣。

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引用次数: 0

Influence of zeta potential on properties of cement pastes with partial substitution by industrial wastes zeta电位对工业废渣部分替代水泥浆体性能的影响

IF 4.3 2区材料科学 Q2 ENGINEERING, CHEMICAL

Particuology

Pub Date : 2026-02-01 Epub Date: 2026-01-02 DOI: 10.1016/j.partic.2025.12.016

Julia da Rosa Martins , Janaíde Cavalcante Rocha , Vanessa de Amorim Amorim , Julia Scalabrin Holanda , Dachamir Hotza , Luciano Senff

The incorporation of industrial waste into construction materials offers a sustainable alternative to conventional practices by reducing environmental disposal and minimizing the use of virgin raw materials. Among such residues, basaltic filler (BF) and red mud (RM) show promising potential as partial cement replacements in mortars and concretes. This study introduces an innovative approach by evaluating the role of particle zeta potential in governing the behavior of stabilized cement pastes containing these wastes. Pastes were formulated with Portland Cement II F 40 (CP II F 40) and a retarding additive to maintain stability over 72 h, with BF and RM used as partial cement substitutes. The zeta potential and sedimentation behavior of the raw materials were measured, and their influence on paste flowability, rheology, and setting time was systematically analyzed. Results revealed that the highly negative zeta potential of BF (−13.7 mV) and RM (−18.7 mV) improved particle dispersion and reduced sedimentation. BF contributed to lower yield stress, plastic viscosity, and shear stress, while RM, despite a similar electrokinetic profile, exhibited rheological behavior strongly influenced by its high surface area and reactivity. These findings underscore the relevance of zeta potential as a predictive parameter in designing sustainable cementitious systems with industrial waste additions.

通过减少环境处置和尽量减少原始原材料的使用，将工业废物纳入建筑材料提供了一种可持续的替代传统做法。在这些残留物中，玄武岩填料（BF）和赤泥（RM）作为砂浆和混凝土中的部分水泥替代品具有很大的潜力。本研究引入了一种创新的方法，通过评估颗粒zeta势在控制含有这些废物的稳定水泥浆的行为中的作用。采用波特兰水泥II f40 （CP II f40）和缓凝剂配制膏体，以保持72 h以上的稳定性，并使用BF和RM作为部分水泥替代品。测定了原料的zeta电位和沉降行为，并系统分析了它们对膏体流动性、流变性和凝结时间的影响。结果表明，BF （- 13.7 mV）和RM （- 18.7 mV）的高负zeta电位改善了颗粒的分散，减少了沉降。BF具有较低的屈服应力、塑性粘度和剪切应力，而RM尽管具有相似的电动力学特征，但其高表面积和反应性强烈地影响了其流变行为。这些发现强调了zeta电位作为一个预测参数在设计可持续胶凝系统与工业废物添加剂的相关性。

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引用次数: 0

Wrinkled spray-dried nanocellulose/chitosan microparticles as bio-based carriers for curcumin: Linking particle morphology to adsorption and release mechanisms 褶皱喷雾干燥纳米纤维素/壳聚糖微颗粒作为姜黄素的生物基载体：颗粒形态与吸附和释放机制的联系

IF 4.3 2区材料科学 Q2 ENGINEERING, CHEMICAL

Particuology

Pub Date : 2026-02-01 Epub Date: 2026-01-02 DOI: 10.1016/j.partic.2025.12.022

Huynh Vu Thanh Luong , My Tran Diep , Ngoc Cham Phan , Ngoc Yen Nguyen , Duy Toan Pham , Trong Tuan Nguyen , Huynh Giao Dang

This study developed chitosan–nanocellulose (CNC/CTS) microparticles via spray-drying as carriers for oral delivery of curcumin. Cellulose was extracted from Nypa fruticans fibers using a green electrochemical method and converted to nanocrystals, which were then combined with chitosan at varying CNC concentrations (1–7 %) and CNC:CTS ratios (1:1, 2:1, 4:1) to produce microparticles with tunable, wrinkled, spherical morphologies. Curcumin loading was performed by spray-drying or post-adsorption, with the latter achieving higher capacity (34.7 mg/g), ∼5.4-fold solubility enhancement, and sustained release over 24 h in simulated intestinal fluid following zero-order kinetics. Mucoadhesion tests showed strong mucin binding (>60 %) and increased viscosity, indicating potential for prolonged gastrointestinal residence. Mechanistic analyses revealed multi-modal interactions—including hydrogen bonding, electrostatic forces, and π–π stacking—governing adsorption and release behavior. These results demonstrate that particle morphology and surface chemistry can be tuned to optimize delivery performance, highlighting CNC/CTS microparticles as a sustainable, scalable platform for oral administration of poorly soluble bioactives.

本研究采用喷雾干燥法制备壳聚糖纳米纤维素（CNC/CTS）微颗粒作为姜黄素口服给药载体。采用绿色电化学方法从Nypa fruticans纤维中提取纤维素，并将其转化为纳米晶体，然后在不同CNC浓度（1 - 7%）和CNC:CTS比例（1:1,2:1,4:1）下与壳聚糖结合，制备出具有可调节的褶皱球形微颗粒。姜黄素通过喷雾干燥或后吸附的方式加载，后吸附的容量更高（34.7 mg/g），溶解度提高约5.4倍，并在模拟肠道液中按照零级动力学持续释放超过24小时。黏液黏附试验显示黏液蛋白结合较强（60%），黏度增加，表明可能在胃肠道停留较长时间。机理分析揭示了多模态相互作用-包括氢键，静电力和π -π堆叠-控制吸附和释放行为。这些结果表明，颗粒形态和表面化学可以调整以优化递送性能，突出CNC/CTS微颗粒作为一个可持续的，可扩展的平台，用于口服给药难溶性生物活性物质。

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引用次数: 0

Experimental investigation into the role of particle morphology in the strength and dilatancy behaviour of aeolian dune sand 颗粒形态对风成沙丘沙强度和剪胀特性影响的实验研究

IF 4.3 2区材料科学 Q2 ENGINEERING, CHEMICAL

Particuology

Pub Date : 2026-02-01 Epub Date: 2026-01-02 DOI: 10.1016/j.partic.2025.12.012

Shiva Prashanth Kumar Kodicherla , Minyi Zhu , Kamoca Fernandes , Darga Kumar Nandyala , Naveen Revanna

This study investigates the role of particle morphology in the strength and dilatancy behaviour of Namibian dune sand under direct shear test (DST) conditions. For this purpose, a series of DSTs were performed under three normal stresses (50, 100, and 200 kPa) and three relative densities (0.25, 0.5, and 0.75). To understand the role of particle morphology, the particle shape descriptors, including aspect ratio, roundness, convexity, sphericity, and overall regularity, were quantified from two-dimensional binary images derived from scanning electron microscopy using a computational geometry approach considering the major plane of orientation. Results indicate that the stress ratio exhibits strain-hardening followed by softening in dense assemblies, while loose assemblies display continuous hardening. The vertical strain and dilatancy angle decrease with increasing normal stress, whereas peak friction angles rise with relative density due to enhanced particle interlocking; critical state friction angles remain largely insensitive to density, reflecting stabilisation at ultimate shearing. Bolton's empirical model underestimates dilatancy angles, which are highly sensitive to normal stress (empirical constant, Q ≈ 10.47 at 200 kPa). The critical state parameters in the void's ratio – logarithm of normal stress normalised by atmospheric pressure plane vary systematically with density and particle regularity, aligning with literature and confirming the robustness of the proposed framework. These findings validate constitutive predictions and underscore the pivotal role of particle morphology in controlling sand strength and dilatancy, offering insights for physically grounded constitutive modelling of granular materials.

在直接剪切试验（DST）条件下，研究了颗粒形态对纳米比亚沙丘砂强度和剪胀特性的影响。为此，在三种正常应力（50、100和200 kPa）和三种相对密度（0.25、0.5和0.75）下进行了一系列DSTs。为了了解颗粒形态的作用，我们使用计算几何方法考虑主取向平面，从扫描电子显微镜获得的二维二值图像中量化颗粒形状描述符，包括长宽比、圆度、凹凸度、球度和整体规律性。结果表明：致密组合件的应力比表现为先应变硬化后软化，松散组合件的应力比表现为连续硬化；垂直应变和剪胀角随着正应力的增大而减小，而摩擦角峰值随着相对密度的增大而增大，这是由于颗粒互锁作用的增强；临界状态摩擦角在很大程度上对密度不敏感，反映了极限剪切时的稳定性。Bolton的经验模型低估了剪胀角，剪胀角对正应力高度敏感（200kpa时经验常数Q≈10.47）。由大气压力平面归一化的孔洞正应力比对数的临界状态参数随密度和颗粒的规律性而系统地变化，与文献一致，并证实了所提出框架的鲁棒性。这些发现验证了本构预测，并强调了颗粒形态在控制砂土强度和剪胀性方面的关键作用，为颗粒材料的物理接地本构建模提供了见解。

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引用次数: 0

Engineering particulate architectures for hybrid energy storage: Bridging the gap between intercalation capacity and adsorption kinetics 混合储能的工程颗粒结构：弥合插层容量和吸附动力学之间的差距

IF 4.3 2区材料科学 Q2 ENGINEERING, CHEMICAL

Particuology

Pub Date : 2026-02-01 Epub Date: 2026-01-02 DOI: 10.1016/j.partic.2025.12.019

Mohssine Ghazoui , Otmane Boudouch , Aboubacar Sidigh Sylla , Kaoutar Moulakhnif , Siham Dabali , Reda Elkacmi

Electrochemical energy storage faces a persistent trade-off: batteries deliver high energy densities via ion intercalation but remain kinetically limited, whereas supercapacitors provide ultrafast power and outstanding durability through interfacial adsorption but suffer from low energy densities. This dichotomy has become a bottleneck for electric mobility, renewable grid stabilization, and portable electronics.

This review introduces a unifying paradigm in which absorption acts as a capacity provider and adsorption as a speed enabler. We critically examine the fundamentals of both mechanisms and survey state-of-the-art materials, from graphite, transition-metal oxides, and phosphates to bio-derived carbons, graphene, MOFs, COFs, and emerging sodium-ion and solid-state systems. Particular emphasis is placed on hybrid devices such as lithium-ion capacitors and hybrid supercapacitors, which already achieve 30–70 Wh kg⁻¹ with multi-kW kg⁻¹ power output and lifetimes exceeding 20,000 cycles.

Looking ahead, disruptive directions include solid-state architectures, bio-inspired electrodes, ultra-fast charging infrastructures (>500 kW), and circular-economy strategies. By reconciling autonomy and speed, the absorption–adsorption paradigm charts a roadmap for next-generation storage systems, capable of supporting the 2030–2040 transition to a resilient, electrified, low-carbon society.

电化学储能面临着一个持续的权衡：电池通过离子插入提供高能量密度，但仍然受到动力学限制，而超级电容器通过界面吸附提供超快的功率和出色的耐用性，但能量密度低。这种二分法已经成为电动汽车、可再生电网稳定和便携式电子产品的瓶颈。这篇综述介绍了一个统一的范式，其中吸收作为容量提供者和吸附作为速度使能器。我们严格审查了这两种机制的基本原理，并调查了最先进的材料，从石墨、过渡金属氧化物、磷酸盐到生物衍生碳、石墨烯、mof、COFs以及新兴的钠离子和固态系统。特别强调的是混合设备，如锂离子电容器和混合超级电容器，它们已经达到30-70 Wh kg - 1，功率输出多kw kg - 1，寿命超过20,000次循环。展望未来，颠覆性的方向包括固态架构、仿生电极、超快速充电基础设施（500千瓦）和循环经济战略。通过协调自主性和速度，吸收-吸附模式为下一代存储系统绘制了路线图，能够支持2030-2040年向弹性、电气化、低碳社会的过渡。

{"title":"Engineering particulate architectures for hybrid energy storage: Bridging the gap between intercalation capacity and adsorption kinetics","authors":"Mohssine Ghazoui , Otmane Boudouch , Aboubacar Sidigh Sylla , Kaoutar Moulakhnif , Siham Dabali , Reda Elkacmi","doi":"10.1016/j.partic.2025.12.019","DOIUrl":"10.1016/j.partic.2025.12.019","url":null,"abstract":"<div><div>Electrochemical energy storage faces a persistent trade-off: batteries deliver high energy densities via ion intercalation but remain kinetically limited, whereas supercapacitors provide ultrafast power and outstanding durability through interfacial adsorption but suffer from low energy densities. This dichotomy has become a bottleneck for electric mobility, renewable grid stabilization, and portable electronics.</div><div>This review introduces a unifying paradigm in which absorption acts as a capacity provider and adsorption as a speed enabler. We critically examine the fundamentals of both mechanisms and survey state-of-the-art materials, from graphite, transition-metal oxides, and phosphates to bio-derived carbons, graphene, MOFs, COFs, and emerging sodium-ion and solid-state systems. Particular emphasis is placed on hybrid devices such as lithium-ion capacitors and hybrid supercapacitors, which already achieve 30–70 Wh kg<sup>−1</sup> with multi-kW kg<sup>−1</sup> power output and lifetimes exceeding 20,000 cycles.</div><div>Looking ahead, disruptive directions include solid-state architectures, bio-inspired electrodes, ultra-fast charging infrastructures (>500 kW), and circular-economy strategies. By reconciling autonomy and speed, the absorption–adsorption paradigm charts a roadmap for next-generation storage systems, capable of supporting the 2030–2040 transition to a resilient, electrified, low-carbon society.</div></div>","PeriodicalId":401,"journal":{"name":"Particuology","volume":"109 ","pages":"Pages 192-210"},"PeriodicalIF":4.3,"publicationDate":"2026-02-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145922233","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Toughening modification of bismaleimide resin with a cyano-containing thermoplastic PPENK particles 含氰热塑性PPENK颗粒对双马来酰亚胺树脂的增韧改性

IF 4.3 2区材料科学 Q2 ENGINEERING, CHEMICAL

Particuology

Pub Date : 2026-02-01 Epub Date: 2026-01-08 DOI: 10.1016/j.partic.2025.12.014

Zhiyuan Cheng , Xinbo Dong , Cheng Liu

The 4,4′-bismaleimidodiphenyl-methane (BDM) resin, as one of the most important thermoset resin, exhibits poor toughness, which prevents it from adapting to high technical requirements and hinder its further development. Novel poly (phthalazinone ether nitrile ketone)s (PPENK) with twisted, non-coplanar phthalazinone units and highly polar cyano side groups into the main chain of poly (aryl ether ketone) molecules were synthesized and used to modify the blends of BDM/diallyl bisphenol A (DABPA). The thermal and mechanical properties of modified BDM resin have been investigated thoroughly. The role of cyano group content of PPENK on the mechanical properties of modified BDM resin has been recognized. The impact strength of modified BDM resin reached up to 26.25 kJ/m², and the glass transition temperature can still maintain in a high level, in the range of 280–291 °C, indicating the excellent thermal properties of modified BDM resin. Moreover, the island-structure particles have been analyzed and the toughening mechanism of BDM resin modified by PPENK particles has been revealed. This work provides a new strategy for design of high-performance thermoplastic toughening agents for BDM resin with improved toughness and thermal properties.

4,4′-双马来酰亚胺二苯基甲烷（BDM）树脂是最重要的热固性树脂之一，但其韧性较差，无法适应较高的技术要求，阻碍了其进一步发展。合成了一种新型聚酞嗪酮醚腈酮（PPENK），在聚芳醚酮分子的主链上含有扭曲的非共面酞嗪酮单元和高极性的氰基侧基，并用于改性BDM/双烯丙基双酚A （DABPA）共混物。研究了改性BDM树脂的热性能和力学性能。PPENK的氰基含量对改性BDM树脂力学性能的影响已得到认可。改性BDM树脂的冲击强度可达26.25 kJ/m2，玻璃化转变温度仍能保持在较高的水平，在280 ~ 291℃范围内，表明改性BDM树脂具有优异的热性能。此外，还对海岛结构颗粒进行了分析，揭示了PPENK颗粒改性BDM树脂的增韧机理。本研究为BDM树脂的高性能热塑性增韧剂的设计提供了新的思路。

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引用次数: 0

Evaluation of effects of particle parameters on the particle bed in supercritical CO2 fractures using coupled CFD-DEM approach 利用耦合CFD-DEM方法评价超临界CO2裂缝中颗粒参数对颗粒床的影响

IF 4.3 2区材料科学 Q2 ENGINEERING, CHEMICAL

Particuology

Pub Date : 2026-02-01 Epub Date: 2025-12-04 DOI: 10.1016/j.partic.2025.11.017

Bin Li, Lele Yang, Xiaodong Chen, Chengyu Huang, Yue Wu

In this study, a coupled CFD–DEM framework incorporating heat transfer was established to elucidate the transport and deposition behavior of proppant particles in supercritical CO₂ (SC-CO₂) fracturing. A three-dimensional fracture-scale physical model was developed to investigate the effects of particle concentration, density, diameter, and non-sphericity on the evolution of the proppant bed. The simulations reveal that both the equilibrium height and length of the granular bed increase with particle concentration, exhibiting a near-linear dependence on the injected mass flux. As particle density rises, the bed height increases while the deposition front advances upstream, facilitating earlier bed formation. Increasing particle diameter from 0.4 mm to 1 mm produces pronounced morphological changes—larger particles form thicker, shorter beds, whereas smaller particles are more easily transported to distal fracture regions. Enhanced particle non-sphericity promotes the development of higher and wider beds due to increased mechanical interlocking and larger inter-particle voids, which strengthen flow-channel connectivity and potentially improve hydrocarbon recovery. The integrated thermal–hydrodynamic–granular analysis demonstrates that SC-CO₂'s temperature-dependent viscosity and density variations significantly modulate drag, lift, and buoyancy forces, jointly governing the self-organization and stability of proppant beds within fractures.

在这项研究中，建立了一个包含传热的耦合CFD-DEM框架，以阐明支撑剂颗粒在超临界CO2 （SC-CO2）压裂中的运移和沉积行为。建立了三维裂缝尺度物理模型，研究了颗粒浓度、密度、直径和非球形度对支撑剂层演化的影响。模拟结果表明，颗粒床的平衡高度和平衡长度随颗粒浓度的增加而增加，与注入的质量通量呈近似线性关系。随着颗粒密度的增加，层高增加，沉积锋面向上游推进，有利于较早地层形成。将颗粒直径从0.4 mm增加到1 mm会产生明显的形态变化——较大的颗粒形成更厚、更短的层，而较小的颗粒更容易运输到远端断裂区域。由于机械联锁作用的增强和颗粒间空隙的增大，颗粒非球形度的增强促进了更高更宽层的发育，从而加强了流道连通性，并有可能提高油气采收率。综合热流体动力颗粒分析表明，SC-CO2的温度依赖性粘度和密度变化显著调节了阻力、升力和浮力，共同控制着裂缝内支撑剂层的自组织和稳定性。

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引用次数: 0

Morphology controlled synthesis of ZSM-5 and enhanced catalytic activity in polypropylene hydrocracking 形貌控制了ZSM-5的合成，增强了聚丙烯加氢裂化的催化活性

IF 4.3 2区材料科学 Q2 ENGINEERING, CHEMICAL

Particuology

Pub Date : 2026-01-01 Epub Date: 2025-11-28 DOI: 10.1016/j.partic.2025.11.016

Ziru Wang , Li Gao , Ying Zhang , Xia Zhang , Bingsen Zhang

ZSM-5 zeolite has emerged as an outstanding catalyst in converting waste plastics into high-value chemicals. Constructing hierarchical micro-mesoporous ZSM-5 can significantly enhance diffusion characteristics and consequently improve catalytic cracking performance. The morphology of ZSM-5 plays a crucial role in altering its catalytic hydrocracking efficiency in plastic degradation, but the reasons behind this is not clear. Herein, by precisely adjusting the structure-directing agent (SDA) ratio to control nucleation dynamics, we have developed a morphology-controlled synthesis strategy for ZSM-5 zeolites. Two distinct hierarchical ZSM-5 catalysts were successfully fabricated: plate-shaped n-ZSM-5 and quasi-spherical s-ZSM-5. And, increasing the SDA content was worked in promoting nucleation kinetics, facilitating the incorporation of active components into the zeolite framework, and increasing surface acid site density. The plate-shaped n-ZSM-5 exhibited exceptional catalytic performance in polypropylene hydrocracking with a liquid yield of 57.3 %, and proved to maintain effective activity for the actual conversion of plastic waste. The catalytic mechanism reveals that the morphology engineering can effectively regulate mass transport within catalyst pores, provide a novel approach for tailoring zeolite catalyst properties. This work offers fundamental insights into structure-performance relationships for advanced plastic upcycling catalysts.

ZSM-5沸石已成为将废塑料转化为高价值化学品的杰出催化剂。构建分级微介孔ZSM-5可以显著提高扩散特性，从而提高催化裂化性能。ZSM-5的形貌对其在塑料降解中催化加氢裂化效率的改变起着至关重要的作用，但其背后的原因尚不清楚。本文通过精确调节结构导向剂（SDA）的比例来控制成核动力学，建立了一种形态控制的ZSM-5分子筛合成策略。成功制备了两种不同层次的ZSM-5催化剂：片状n-ZSM-5和准球形s-ZSM-5。同时，增加SDA的含量可以促进分子筛成核动力学，促进活性组分进入分子筛骨架，增加表面酸位密度。板状n-ZSM-5在聚丙烯加氢裂化中表现出优异的催化性能，产液率为57.3%，对塑料废弃物的实际转化具有良好的催化活性。分子筛的催化机理表明，形貌工程可以有效地调节催化剂孔内的质量传递，为调整沸石催化剂的性能提供了一种新的途径。这项工作为先进的塑料升级回收催化剂的结构-性能关系提供了基本的见解。

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引用次数: 0

Mapping strategies for unresolved CFD-DEM modeling of fluid-solid flows: Latest developments and perspectives 未解决的CFD-DEM流固流建模的映射策略：最新发展和观点

IF 4.3 2区材料科学 Q2 ENGINEERING, CHEMICAL

Particuology

Pub Date : 2026-01-01 Epub Date: 2025-11-20 DOI: 10.1016/j.partic.2025.11.008

Lianyong Zhou , Zhongmei Li , Zheng-Hong Luo , Li-Tao Zhu

The accurate transfer of discrete particle information to continuum Eulerian fields, known as mapping or coarse-graining, plays a critical role in unresolved CFD-DEM modeling, governing both numerical stability and physical fidelity. Over the years, a variety of strategies have been proposed, spanning from local methods such as the satellite point scheme to non-local approaches based on kernel functions, diffusion, or hybrid formulations. Each method balances trade-offs between smoothness, conservation, computational efficiency, and applicability to complex grid configurations or non-spherical particles. This perspective summarizes the general methodology, representative implementations, and typical applications of existing mapping algorithms, and analyzes their respective merits and limitations. Particular attention is given to challenges associated with small grid-to-particle size ratios, irregular geometries, computational costs, and multi-physics coupling. Emerging directions, including adaptive and hybrid schemes, consistency with turbulence modeling, extensions to polydisperse and non-spherical particles, and machine learning-aided mapping acceleration, are discussed. Continued efforts in these areas promise to improve the robustness, accuracy, and scalability of CFD-DEM simulations, ultimately enabling more generalized and reliable modeling of complex multiphase flows in both research and industrial applications.

将离散粒子信息准确地传递到连续欧拉场，即映射或粗粒化，在未解析的CFD-DEM建模中起着关键作用，控制着数值稳定性和物理保真度。多年来，已经提出了各种策略，从局部方法（如卫星点方案）到基于核函数、扩散或混合公式的非局部方法。每种方法都在平滑性、守恒性、计算效率以及对复杂网格结构或非球形粒子的适用性之间进行了权衡。本观点总结了现有映射算法的一般方法、代表性实现和典型应用，并分析了它们各自的优点和局限性。特别关注与小网格与颗粒尺寸比、不规则几何形状、计算成本和多物理场耦合相关的挑战。讨论了新兴方向，包括自适应和混合方案，与湍流建模的一致性，扩展到多分散和非球形粒子，以及机器学习辅助的映射加速。在这些领域的持续努力有望提高CFD-DEM模拟的鲁棒性、准确性和可扩展性，最终在研究和工业应用中实现更广泛、更可靠的复杂多相流建模。

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引用次数: 0

Gaussian integral method for void fraction 空隙分数的高斯积分法

IF 4.3 2区材料科学 Q2 ENGINEERING, CHEMICAL

Particuology

Pub Date : 2026-01-01 Epub Date: 2025-11-01 DOI: 10.1016/j.partic.2025.10.014

Alireza Kianimoqadam, Justin Lapp

A novel method, the Gaussian Integral Method (GIM), is presented for calculating void fractions in Computational Fluid Dynamics–Discrete Element Method (CFD-DEM) simulations. GIM is versatile and applicable to various grid types, including structured and unstructured polyhedral meshes, without requiring special boundary treatments. An optimization technique is introduced to make GIM independent of grid resolution and type. The method is validated against experimental data from a fluidized bed, demonstrating that GIM produces realistic simulations closely resembling experimental observations. Additionally, unstructured polyhedral grids using GIM outperform structured grids of equivalent resolution, yielding results more aligned with experimental data. The gradient of the void fraction is computed in the CFD solver and utilized in the DEM solver for precise estimation at particle locations. Overall, GIM provides an effective solution for void fraction calculations in particulate media simulations with complex geometries, enhancing the accuracy and applicability of CFD-DEM simulations for industrial processes.

提出了一种计算流体力学离散元法（CFD-DEM）模拟中空隙分数的新方法——高斯积分法（GIM）。GIM是通用的，适用于各种网格类型，包括结构化和非结构化多面体网格，不需要特殊的边界处理。引入了一种优化技术，使GIM与网格分辨率和类型无关。该方法与流化床的实验数据进行了验证，表明GIM产生了与实验观察结果非常相似的真实模拟。此外，使用GIM的非结构化多面体网格优于同等分辨率的结构化网格，产生的结果更符合实验数据。在CFD求解器中计算空隙率的梯度，并在DEM求解器中进行粒子位置的精确估计。总体而言，GIM为具有复杂几何形状的颗粒介质模拟中的空隙率计算提供了有效的解决方案，提高了CFD-DEM模拟工业过程的准确性和适用性。

引用次数: 0