Particuology最新文献_第2页

Polysaccharide-alum Pickering emulsions as adjuvant to stimulate potent humoral and cellular immune responses for porcine pseudorabies virus vaccine 多糖明矾皮克林乳剂作为佐剂刺激猪伪狂犬病毒疫苗的强效体液和细胞免疫反应

IF 4.3 2区材料科学 Q2 ENGINEERING, CHEMICAL

Particuology

Pub Date : 2026-03-01 Epub Date: 2026-01-29 DOI: 10.1016/j.partic.2026.01.023

Runyu Yang , Longyun Li , Wuchao Zhang , Yixuan Zhu , Qianhui Zhao , Wei Liu , Panpan Xu , Qi Zhao , Ziye Zhang , Yingsai Fan , Kuan Zhao , Xiao Wang , Ning Ma , Wanyu Shi , Pengfei Gu

Vaccination with inactivated porcine pseudorabies virus (PRV) vaccines is a common strategy for the prevention of PRV infection. However, due to the insufficient immunogenicity, the protective efficacy of inactivated vaccines remains deficient. Consequently, there is an urgent need to develop potent adjuvants to enhance the effectiveness of inactivated PRV vaccines. In previous study, we successfully developed a novel vaccine adjuvant delivery system, which the Poria cocos polysaccharide-loaded Alhydrogel was employed as colloidal stabilizers, and squalene was utilized as the oil phase to form stable Pickering emulsions (PAPE). The PAPE combined the immunostimulatory effects of Poria cocos polysaccharide, the inherent immunostimulant properties of the Alhydrogel adjuvant, and the characteristics of the Pickering emulsions delivery system. Herein, we found that PAPE has the potential to function as a delivery system to promote antigen internalization by macrophages via scavenger receptor A-mediated endocytosis. PAPE compensated for the inadequacy of alum adjuvants in efficiently stimulating cell-mediated immune responses. As the adjuvant for inactivated PRV vaccine, PAPE increased the recruitment and activation of antigen-presenting cells at the injection site, and provoked strong cellular and humoral immune responses. Notably, compared to MONTANIDE ISA206 adjuvant, PAPE markedly improved the induction of CD4⁺ and CD8⁺ T cells, the activation of CD8⁺ cytotoxic T lymphocytes, the production of IFN-γ, and the response of memory CD8⁺ T cells, thereby inducing a stronger cellular immune response. Our findings highlight the efficacy of PAPE as an adjuvant for PRV vaccines, offering new insights for the development of veterinary vaccines.

接种灭活猪伪狂犬病毒（PRV）疫苗是预防PRV感染的常用策略。然而，由于免疫原性不足，灭活疫苗的保护作用仍然不足。因此，迫切需要开发强效佐剂来增强灭活疫苗的有效性。在之前的研究中，我们成功开发了一种新型的疫苗佐剂递送体系，该体系以茯苓多糖负载的烯水凝胶为胶体稳定剂，以角鲨烯为油相形成稳定的皮克林乳剂（PAPE）。PAPE结合茯苓多糖的免疫刺激作用、醛水凝胶佐剂固有的免疫刺激特性和皮克林乳剂递送体系的特点。在这里，我们发现PAPE有潜力作为一种递送系统，通过清道夫受体a介导的内吞作用促进巨噬细胞的抗原内化。PAPE弥补了明矾佐剂在有效刺激细胞介导的免疫反应方面的不足。作为灭活PRV疫苗的佐剂，PAPE增加了抗原呈递细胞在注射部位的募集和活化，并引发了强烈的细胞和体液免疫反应。值得注意的是，与MONTANIDE ISA206佐剂相比，PAPE显著改善了CD4+和CD8+ T细胞的诱导，CD8+细胞毒性T淋巴细胞的活化，IFN-γ的产生，以及记忆性CD8+ T细胞的应答，从而诱导更强的细胞免疫应答。我们的研究结果强调了PAPE作为PRV疫苗佐剂的有效性，为兽医疫苗的开发提供了新的见解。

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引用次数: 0

Effect of drag and friction models for the numerical prediction of particle mixing in Geldart Type B fluidized beds 阻力和摩擦模型对Geldart B型流化床颗粒混合数值预测的影响

IF 4.3 2区材料科学 Q2 ENGINEERING, CHEMICAL

Particuology

Pub Date : 2026-03-01 Epub Date: 2026-01-03 DOI: 10.1016/j.partic.2025.12.015

Toshiaki Fukada , Gregor Karte , Tobias Pröll

To investigate the effects of drag and frictional stress models in two-fluid model simulations, fluidized beds of Geldart type B particles are simulated, and the results are compared with experimental data for cases at lower fluidization numbers than those reported in the literature. The residence time distribution (RTD) of the particles is focused on because it reflects mixing behaviour that has a significant impact on the performance of fluidized bed reactors. The experimental results are reasonably modeled by a series of a plug flow reactor with axial dispersion and a continuous stirred tank reactor. Homogeneous and heterogeneous drag models are compared because the effects of the differences between them are unclear relative to those observed for Geldart type A particles. For the frictional stress, a model that reflects the effect of dilatation and compaction in BFBs is employed. Clear effects of the numerical models are observed when the fluidization number is reduced to 2.9. Although the simulated vertical distribution of average volume fraction is less sensitive to the drag model type than in the cases of Geldart type A particles, the simulated local distribution of the volume fraction is influenced. This influence leads to a change in the mixing behaviour. It is found that the frictional stress model effectively contributes to the prediction of mixing behaviour when combined with the heterogeneous drag model, which clearly represents bubbles. Without the frictional stress model, the mixing intensity is overestimated even with the heterogeneous drag model, indicating the importance of the combination of both models.

为了研究阻力和摩擦应力模型在双流体模型模拟中的影响，对Geldart B型颗粒流化床进行了模拟，并将结果与较低流化数的实验数据进行了比较。颗粒的停留时间分布（RTD）反映了对流化床反应器性能有重要影响的混合行为，因此受到人们的关注。用轴向分散塞流反应器和连续搅拌槽式反应器对实验结果进行了合理的模拟。对均匀和非均匀阻力模型进行比较，因为它们之间的差异的影响与对Geldart A型颗粒的观察结果相比是不清楚的。对于摩擦应力，采用了反映bfb中膨胀和压实效应的模型。当流化数降低到2.9时，数值模型的效果明显。虽然模拟的平均体积分数垂直分布对阻力模型类型的敏感性低于Geldart A型颗粒，但模拟的局部体积分数分布受到影响。这种影响导致混合行为的改变。结果表明，摩擦应力模型与非均质阻力模型相结合，能够有效地预测气泡的混合行为。如果没有摩擦应力模型，即使采用非均质阻力模型，混合强度也会被高估，这表明两种模型结合的重要性。

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引用次数: 0

Transient bimodal effects in the in-line particle size measurement during milling of solid state materials 固态材料铣削过程中在线粒度测量中的瞬态双峰效应

IF 4.3 2区材料科学 Q2 ENGINEERING, CHEMICAL

Particuology

Pub Date : 2026-03-01 Epub Date: 2026-01-20 DOI: 10.1016/j.partic.2025.12.026

José M. Bellosta von Colbe , Hans Ulrich Benz , Henning Zoz , Julian Jepsen , Klaus Taube , Martin Dornheim , Thomas Klassen

For the processing or synthesis of solid state materials, ball milling has proven to be an effective method. However, due to the continuous agitation, the process is not suited for in-situ measurement techniques. In this work, a system for the in-line particle size measurement during milling has been developed and tested. The results show that milling of a sample with a certain mean particle size results in the production of a bimodal size distribution before a final product with the smaller particle size is produced. Moreover, a much faster than expected reduction in size was achieved, whose time evolution could otherwise only be followed by wasteful and time-consuming specimen analysis in intervals. In conclusion, in-line particle size measurement during milling is a promising technique to optimize the processing time or obtain a product powder in a certain condition.

对于固体材料的加工或合成，球磨已被证明是一种有效的方法。然而，由于持续搅拌，该过程不适合原位测量技术。在这项工作中，开发并测试了一个磨粉过程中在线粒度测量系统。结果表明，在生产出粒径较小的最终产品之前，对具有一定平均粒度的样品进行铣削会产生双峰粒度分布。此外，实现了比预期更快的尺寸减小，否则其时间演变只能在间隔中进行浪费和耗时的标本分析。综上所述，在磨粉过程中在线粒度测量是一种很有前途的技术，可以优化加工时间或在一定条件下获得产品粉末。

引用次数: 0

Virus-like particles as catalytic nanoreactors: Confinement effects, characterization strategies, and future opportunities 作为催化纳米反应器的病毒样颗粒：限制效应、表征策略和未来机会

IF 4.3 2区材料科学 Q2 ENGINEERING, CHEMICAL

Particuology

Pub Date : 2026-03-01 Epub Date: 2026-01-17 DOI: 10.1016/j.partic.2026.01.009

Singana Siva Nandu , Sivakumar Kasibhatta , Sai Sreenivas Kirdhanthu , Bugude Laxmi , Viswanath Buddolla

Virus-like particles (VLPs) are increasingly recognized as programmable, bioinspired nanoscale scaffolds capable of operating as confined catalytic nanoreactors with precise control over molecular transport and reactivity. Their defined capsid architectures create uniform internal reaction volumes and engineered pore systems that regulate substrate diffusion, stabilize encapsulated catalysts, and reshape reaction kinetics and selectivity beyond what is achievable in bulk solution. This review critically examines VLPs as particulate nanoreactors, emphasizing how advances in capsid design, encapsulation strategies, and surface functionalization govern catalytic behavior. We highlight mechanistic insights into how nanoscale confinement influences turnover stability, substrate discrimination, and thermodynamic profiles, including cases where confinement redirects reaction pathways rather than simply enhancing rates. Recent progress in high-resolution and in situ characterization techniques is discussed, demonstrating how real-time monitoring of catalytic events within VLP lumens has strengthened structure–function correlations. Emerging applications in biosensing, sustainable biocatalysis, environmental remediation, and synthetic biology are evaluated with attention to performance metrics and scalability. Finally, key challenges related to structural robustness, manufacturability, and predictive engineering are outlined as critical considerations for industrial translation. VLP-based nanoreactors thus represent a versatile platform bridging biological self-assembly with materials engineering for controlled and environmentally compatible catalytic transformations.

病毒样颗粒（vlp）越来越被认为是可编程的、受生物启发的纳米级支架，能够作为受限的催化纳米反应器运行，精确控制分子的运输和反应性。他们定义的衣壳结构创造了均匀的内部反应体积和工程孔系统，以调节底物扩散，稳定封装催化剂，重塑反应动力学和选择性，而不是在散装溶液中实现的。这篇综述批判性地考察了VLPs作为颗粒纳米反应器，强调了衣壳设计、封装策略和表面功能化的进展如何影响催化行为。我们强调了纳米级约束如何影响周转稳定性、底物识别和热力学特征的机理见解，包括约束重定向反应途径而不是简单地提高反应速率的情况。讨论了高分辨率和原位表征技术的最新进展，展示了VLP流明内催化事件的实时监测如何加强了结构-功能相关性。在生物传感、可持续生物催化、环境修复和合成生物学等新兴应用中，对性能指标和可扩展性进行了评估。最后，与结构稳健性、可制造性和预测工程相关的关键挑战被概述为工业转化的关键考虑因素。因此，基于vlp的纳米反应器代表了一个多功能平台，将生物自组装与材料工程连接起来，用于控制和环境相容的催化转化。

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引用次数: 0

Efficient numerical method for solving multidimensional population balance equations in batch cooling crystallization 求解间歇冷却结晶过程中多维人口平衡方程的有效数值方法

IF 4.3 2区材料科学 Q2 ENGINEERING, CHEMICAL

Particuology

Pub Date : 2026-03-01 Epub Date: 2026-01-30 DOI: 10.1016/j.partic.2026.01.024

Chuan Li , Zimu Diao , Yongyan Cheng , Baoming Shan , Qilei Xu , Xuezhong Wang , Fangkun Zhang

The efficient numerical solution of the multi-dimensional population balance models is still a hot topic and a challenging problem in crystallization. To address this issue, we develop a high-efficiency, high-accuracy scheme for two-dimensional PBEs, which integrates high-order compact difference discretization with an alternating-direction implicit strategy. The multidimensional solution problem was decomposed into two one-dimensional implicit systems to reduce computational complexity and suppress numerical dissipation. This proposed method can achieve fourth-order accuracy in space and time while circumventing stability constraints of explicit schemes by integrating compact fourth-order spatial discretization with alternating direction implicit time integration. Four cases were used to verify the performance by considering crystal size-independent growth, dependent growth, and nucleation in crystallization processes. The proposed method demonstrated superior accuracy and efficiency compared to the high-resolution finite volume method and high-order compact difference. In addition, stability and convergence analyses further confirm its robustness, particularly in capturing transient nucleation dynamics and steep gradients. This work is of great value and significance for modeling and optimal crystallization process control.

多维种群平衡模型的高效数值求解一直是结晶学研究的热点和难题。为了解决这一问题，我们开发了一种高效、高精度的二维PBEs方案，该方案将高阶紧凑差分离散化与交替方向隐式策略相结合。为了降低计算复杂度和抑制数值耗散，将多维解问题分解为两个一维隐式系统。该方法通过将紧致的四阶空间离散化与交替方向隐式时间积分相结合，规避了显式格式的稳定性约束，同时在空间和时间上实现了四阶精度。通过考虑晶体尺寸无关生长、依赖生长和结晶过程中的成核现象，用4个实例验证了该方法的性能。与高分辨率有限体积法和高阶紧致差分法相比，该方法具有更高的精度和效率。此外，稳定性和收敛性分析进一步证实了该方法的鲁棒性，特别是在捕捉瞬态成核动力学和陡峭梯度方面。该工作对结晶过程的建模和优化控制具有重要的价值和意义。

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引用次数: 0

Recent advances in the digital transformation of crystallization process development and operation: Synergy between model- and AI-driven strategies 结晶工艺开发和运营数字化转型的最新进展：模型和人工智能驱动策略之间的协同作用

IF 4.3 2区材料科学 Q2 ENGINEERING, CHEMICAL

Particuology

Pub Date : 2026-03-01 Epub Date: 2026-01-23 DOI: 10.1016/j.partic.2026.01.014

Yiming Ma, Xuming Yuan, Ashish Yewale, Brahim Benyahia

Crystallization plays a critical role across multiple industries, determining key particulate product attributes such as purity, particle size distribution, morphology, and polymorphic form. The multiscale nature of this process, encompassing molecular interactions, phase transitions, and transport phenomena, imposes high levels complexity on the design and control of systems in which particle characteristics govern performance. Digital strategies, including emerging AI-driven approaches, are increasingly recognized as powerful tools for managing multiscale complexity, reducing inherent uncertainties, and enhancing process development. This review aims to explore recent advances and critically analyze how digital methods can be applied at each stage of process development. The discussion begins with data acquisition and augmentation, including synthetic data generation, model-based experimental design, and rigorous data preprocessing and validation. This is followed by the modeling strategies tailored to specific design and operation objectives, including mechanistic, data-driven, and hybrid approaches for predicting crystallization dynamics and particulate properties. Finally, recent control and optimization solutions are discussed, focusing on model-based and adaptive algorithms for open and closed-loop strategies. The review concludes with a forward-looking perspective on emerging trends, highlighting the integration of digital twins, real-time optimization, and sustainability metrics which together are expected to enable intelligent, resilient, and sustainability-aligned crystallization systems capable of meeting future industrial and regulatory requirements.

结晶在多个行业中发挥着关键作用，决定了关键的颗粒产品属性，如纯度、粒度分布、形态和多态形式。这一过程的多尺度性质，包括分子相互作用、相变和输运现象，对系统的设计和控制施加了高水平的复杂性，其中粒子特性决定了系统的性能。数字战略，包括新兴的人工智能驱动的方法，越来越被认为是管理多尺度复杂性、减少固有不确定性和增强流程开发的强大工具。这篇综述旨在探讨最近的进展，并批判性地分析数字方法如何在过程开发的每个阶段应用。讨论从数据获取和增强开始，包括合成数据生成、基于模型的实验设计和严格的数据预处理和验证。其次是针对特定设计和操作目标量身定制的建模策略，包括预测结晶动力学和颗粒特性的机械方法、数据驱动方法和混合方法。最后，讨论了最近的控制和优化解决方案，重点是基于模型和自适应算法的开环和闭环策略。总结了新兴趋势的前瞻性观点，强调了数字孪生、实时优化和可持续性指标的整合，这些指标有望使智能、弹性和可持续性一致的结晶系统能够满足未来的工业和监管要求。

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引用次数: 0

Intelligent inversion model of macro-micro parameters for rockfill using discrete-continuous coupling method 基于离散-连续耦合方法的堆石料宏微观参数智能反演模型

IF 4.3 2区材料科学 Q2 ENGINEERING, CHEMICAL

Particuology

Pub Date : 2026-03-01 Epub Date: 2026-01-30 DOI: 10.1016/j.partic.2026.01.025

Chunhui Ma , Mingyuan Gao , Yuanyuan Hou , Lin Cheng , Junrui Chai , Ibrokhimov Khofiz

This study addresses the limitations of traditional feedback analysis methods for dam construction materials, which suffer from low accuracy, long computation times, and an inability to capture micromechanical properties. We propose a novel macro-micro parameter joint intelligent feedback analysis model for rockfill materials, driven by dam deformation monitoring data, that efficiently and accurately determines the macro and micro parameters of these materials. By employing an intelligent inverse analysis model, researchers can derive the macro and micro material parameters of the discrete-continuum coupling model, aiding in the optimization of design standards and guiding dam construction and operation. To enhance this process, we construct an adaptive surrogate model using a Runge-Kutta optimizer (RUN) and an extreme gradient boosting (XGBoost) algorithm. This model captures the complex nonlinear relationship between macro and micro parameters and dam settlement, reducing the need for time-consuming numerical simulations. By leveraging deformation monitoring data from panel rockfill dams, the RUN-XGBoost algorithm effectively addresses the inverse analysis problem. The results demonstrate that this intelligent inverse analysis model can rapidly and accurately determine rockfill dam parameters, improving the precision of macro-micro parameter calculations and enabling a comprehensive investigation of the mechanical evolution of rockfill materials, with implications for structural safety analysis.

该研究解决了传统的大坝建筑材料反馈分析方法的局限性，即精度低，计算时间长，无法捕捉微观力学特性。在大坝变形监测数据的驱动下，提出了一种新的堆石料宏微参数联合智能反馈分析模型，能够高效、准确地确定堆石料的宏微参数。利用智能逆分析模型，可以推导出离散-连续耦合模型的宏观和微观材料参数，有助于优化设计标准，指导大坝的建设和运行。为了增强这一过程，我们使用Runge-Kutta优化器（RUN）和极端梯度提升（XGBoost）算法构建了一个自适应代理模型。该模型反映了宏观和微观参数与坝体沉降之间复杂的非线性关系，减少了耗时的数值模拟。通过利用面板堆石坝的变形监测数据，RUN-XGBoost算法有效地解决了逆向分析问题。结果表明，该智能逆分析模型可以快速准确地确定堆石坝参数，提高了宏微观参数计算的精度，可以全面研究堆石坝材料的力学演化，为结构安全分析提供依据。

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引用次数: 0

Quantitative structure-property relationships in montmorillonite: Decoupling crystalline coherence from cation exchange capacity through advanced SAXS analysis 蒙脱土的定量结构-性质关系：通过先进的SAXS分析从阳离子交换容量中解耦晶体相干性

IF 4.3 2区材料科学 Q2 ENGINEERING, CHEMICAL

Particuology

Pub Date : 2026-03-01 Epub Date: 2026-01-16 DOI: 10.1016/j.partic.2026.01.010

Walid Oueslati

Montmorillonite's variable cation exchange capacity (CEC) contradicts the assumption that structural order enhances reactivity. While primary CEC originates from isomorphic substitutions, defect-induced structural degradation enhances CEC through dual pathways: direct creation of edge sites (55 % of enhancement) and indirect effects via increased specific surface area (45 %). We employ integrated SAXS techniques—pair distribution function, Warren-Averbach analysis, and Porod scattering—to establish quantitative structure-CEC relationships. Well-ordered samples exhibit coherent domain sizes of 85 Å, microstrain of 1.2 %, and CEC of 76.2 cmol/kg. Severely degraded samples show domain sizes of 28 Å (67 % reduction), microstrain of 4.5 % (3.8-fold increase), and enhanced CEC of 118.9 cmol/kg (56 % increase). PDF analysis reveals that long-range layer correlations decay from 45 to 18 Å (60 % reduction). Warren-Averbach decomposition demonstrates a transition from size-dominated (78 % contribution) to strain-dominated broadening (69 %), with crossover at 40 % CEC enhancement corresponding to domain sizes of ∼40 Å. Porod analysis (calibrated against glassy carbon standard) demonstrates 2.3 × increase in specific surface area (28–68 m²/g) with interface fractal dimensions evolving from 2.1 (smooth) to 2.7 (rough). Path analysis confirms that defect-induced edge sites contribute 70–80 % of the CEC enhancement, with the remainder attributed to enhanced interlayer accessibility via structural disorder. The established correlations (R² > 0.87) between SAXS-derived structural descriptors and CEC enable predictive modeling and rational optimization of montmorillonite processing for targeted applications in environmental remediation, catalysis, and advanced functional materials.

蒙脱土的可变阳离子交换容量（CEC）与结构顺序增强反应性的假设相矛盾。虽然初级CEC源于同构取代，但缺陷引起的结构降解通过双重途径增强CEC：直接产生边缘位点（55%的增强）和通过增加比表面积（45%）间接影响。我们采用集成的SAXS技术-对分布函数，Warren-Averbach分析和Porod散射-建立定量结构- cec关系。有序样品的相干畴大小为85 Å，微应变为1.2%，CEC为76.2 cmol/kg。严重降解样品的结构域大小为28 Å（减少67%），微应变增加4.5%（增加3.8倍），CEC增加118.9 cmol/kg（增加56%）。PDF分析显示，远程层相关性从45衰减到18 Å（降低60%）。Warren-Averbach分解显示了从尺寸主导（78%的贡献）到应变主导的展宽（69%）的转变，在40% CEC增强时的交叉对应于~ 40的结构域尺寸Å。孔隙分析（根据玻碳标准校准）表明，比表面积增加2.3倍（28-68 m2/g），界面分形维数从2.1（光滑）演变为2.7（粗糙）。通径分析证实，缺陷诱导的边缘位点贡献了70 - 80%的CEC增强，其余归因于通过结构紊乱增强的层间可达性。saxs衍生的结构描述符与CEC之间建立的相关性（R2 > 0.87）使蒙脱土加工的预测建模和合理优化能够用于环境修复，催化和高级功能材料的目标应用。

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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 : 2026-03-01 Epub 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

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 : 2026-03-01 Epub 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