Particuology最新文献

{"title":"Improved drag force calculation in CFD-DEM using coarse cell for dilute large-sized particles: Effective projected area for drag force distribution","authors":"Shen Zhang,&nbsp;Nan Gui,&nbsp;Yiyang Luo,&nbsp;Xingtuan Yang,&nbsp;Shengyao Jiang","doi":"10.1016/j.partic.2025.08.013","DOIUrl":"10.1016/j.partic.2025.08.013","url":null,"abstract":"<div><div>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.</div></div>","PeriodicalId":401,"journal":{"name":"Particuology","volume":"105 ","pages":"Pages 340-356"},"PeriodicalIF":4.3,"publicationDate":"2025-08-29","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144988266","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}

{"title":"Hydrodynamic characteristics of the bubble-induced three-phase inverse fluidized bed in NaCl aqueous solution system","authors":"Yicheng Deng ,&nbsp;Shuya Shi ,&nbsp;Keying Ma ,&nbsp;Yuanyuan Shao ,&nbsp;Jesse Zhu","doi":"10.1016/j.partic.2025.08.015","DOIUrl":"10.1016/j.partic.2025.08.015","url":null,"abstract":"<div><div>Bubble-induced three-phase inverse fluidized bed (BIFB) has attracted significant attention in biological wastewater treatment due to its low energy consumption and high mass transfer efficiency. To extend the application in high-salinity wastewater treatment, a square BIFB was constructed to investigate the flow characteristics in different NaCl concentration systems, including flow regimes, fluidization transition gas velocities, bed expansion ratio, and average phase holdups. The flow regime changes in NaCl solution system are generally consistent with those in the pure water system. The fluidization transition gas velocities initially decrease and then increase as the NaCl concentration increases, with a minimum value observed at approximately 1 wt% NaCl solution. The average gas holdup in the NaCl solution system is significantly higher than in the pure water system and increases with the NaCl concentration. These results could provide basic data and theoretical support for reactor design and its industrial application in high-salinity wastewater treatment.</div></div>","PeriodicalId":401,"journal":{"name":"Particuology","volume":"106 ","pages":"Pages 20-28"},"PeriodicalIF":4.3,"publicationDate":"2025-08-29","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144989828","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}

{"title":"A particulate phase-field model for chemical-electrochemical dynamics of Li-ion intercalation in LiFePO4","authors":"Ye Hu ,&nbsp;Fang Cheng ,&nbsp;Mati ur Rahman","doi":"10.1016/j.partic.2025.08.011","DOIUrl":"10.1016/j.partic.2025.08.011","url":null,"abstract":"<div><div>We investigated a phase-field model incorporating chemical-electrochemical coupling in Li-ion battery materials, particularly LiFePO₄, without altering its olivine topology. This study emphasizes the anomalous diffusion dynamics of lithium ions within the crystal structure during electrochemical cycling. The model, featuring a diffusing interface, comprises two coupled nonlinear second-order parabolic equations. We validated that this model adheres to the principle of entropy increase and demonstrated that global solutions exist for the initial-boundary value problem. Simulation outcomes demonstrate consistency between lithium concentration evolution and interface motion with experimental results reported by research of Laffont.</div></div>","PeriodicalId":401,"journal":{"name":"Particuology","volume":"105 ","pages":"Pages 325-339"},"PeriodicalIF":4.3,"publicationDate":"2025-08-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144931726","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}

{"title":"30-year scientific legacy and future of nanoparticles in next-generation cosmetic applications","authors":"Caroliny M. Santos ,&nbsp;Isabel Cristina V. Santos ,&nbsp;Thiago F. Santos ,&nbsp;Raphael Lucas Jacinto Almeida ,&nbsp;J.H.O. Nascimento","doi":"10.1016/j.partic.2025.08.012","DOIUrl":"10.1016/j.partic.2025.08.012","url":null,"abstract":"<div><div>This study analyzes 30 years (1993–2023) of advancements in nanoparticle (NPs) use in cosmetics, mapping the shift from traditional cosmetics to cosmeceuticals. This transition integrates aesthetic and therapeutic benefits, driven by scientific innovation, consumer demand for multifunctional products, and sustainability. Cosmeceuticals, popularized by Albert Kligman, combine cosmetic and pharmaceutical properties. The 1990s introduced bioactive ingredients like alpha-hydroxy acids, while the 2000s emphasized natural, eco-friendly materials. Nanotechnology, prominent in the 2010s, introduced nanocarriers like liposomes and solid lipid NPs, enhancing skin penetration and targeted delivery for anti-aging, UV protection, and hair care. The cosmetics market grew from USD 532.43 billion in 2017 to a projected USD 805.61 billion by 2023, driven by nanocosmeceuticals. Recent trends focus on green synthesis using biodegradable materials like cellulose nanofibers and sustainable practices, exemplified by L’Oréal's zero plastic pollution goal by 2025. Regulatory uncertainties and nanotoxicity concerns remain, underscoring the need for safe, sustainable innovations to shape the industry's future.</div></div>","PeriodicalId":401,"journal":{"name":"Particuology","volume":"105 ","pages":"Pages 288-314"},"PeriodicalIF":4.3,"publicationDate":"2025-08-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144931724","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}

{"title":"Modelling and optimization of ultra-fine copper sulphide grinding: A hybrid statistical and machine learning approach","authors":"Nkosilamandla Moyo,&nbsp;Tirivaviri Mamvura,&nbsp;Gwiranai Danha,&nbsp;Prasad Raghupatruni","doi":"10.1016/j.partic.2025.08.010","DOIUrl":"10.1016/j.partic.2025.08.010","url":null,"abstract":"<div><div>As the demand for base metals continues to increase, the shift to beneficiating low-grade ores and secondary sources has been steadily increasing over the past decades. This study aimed at optimizing the beneficiation of low-grade copper sulphide ores by applying ultra-fine grinding to mechanically activate its mineral grain surfaces. As an energy intense process, this study sought to streamline the manner in which the milling media particle size impacts the operating conditions, for fine-tuning the process milling efficiency (P₈₀), and its specific energy consumption (SE). The intrinsic interaction behaviors of the operating conditions; milling speed, milling time and grinding media filling ratio, were uncovered through a hybrid modelling technique involving the response surface methodology, artificial neural network (ANN) and artificial-neuro-fuzzy-inference-system (ANFIS) approaches. Through this methodology, it was revealed that the baseline process parameter of dependence, to the rest in this study was the media filling ratio (%). At lower media filling ratios, it was noted that basically the milling speed did not bear much influence on the process performance, however, an inverse impact to the process performance was observed with increasing media filling ratio. For milling time, a direct proportionality was observed between it and media filling ratio, and its proportionality constant could be finely tuned as per set conditions. Optimization study led to adoption of the optimum conditions of media filling ratio, milling time and milling speed of 60 %, 1 h and 106 revolutions per minute (RPM) respectively. Upon optimizing the grinding extent to P₈₀ of 20 μm, a 24.45 % SE conservation was realized, basing on the traditional 10 μm of the Activox process. Validation of the hybrid models using a different sulphide ore drew the superiority of the ANFIS model for P₈₀ predictions, and that of ANN for SE predictions. This study addressed the need, particularly of small-scale miners, to effectively conduct mechanical activation without necessarily incurring expenditure on new milling equipment.</div></div>","PeriodicalId":401,"journal":{"name":"Particuology","volume":"106 ","pages":"Pages 29-44"},"PeriodicalIF":4.3,"publicationDate":"2025-08-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145020032","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}

{"title":"Micro-mechanical analysis on the spreading of tungsten powder in electron beam powder bed fusion additive manufacturing","authors":"Ju Wang ,&nbsp;Haiyang Zhao ,&nbsp;Zhe Liu ,&nbsp;Dengzhi Yao ,&nbsp;Meng Li ,&nbsp;Shujun Li ,&nbsp;Dechun Ren ,&nbsp;Jian Wang ,&nbsp;Xizhong An","doi":"10.1016/j.partic.2025.08.008","DOIUrl":"10.1016/j.partic.2025.08.008","url":null,"abstract":"<div><div>Electron beam powder bed fusion (EB-PBF) enables the additive manufacturing of high-melting-point, reactive metals like tungsten. However, the quality of the powder bed is governed by the micro-mechanics of powder spreading, which remain unclear. In this work, the spreading of tungsten powder during EB-PBF process was numerically reproduced by three-dimensional discrete element method. Micro-mechanics (particle motion behaviors, evolution of contact forces and formation of force arches) of the powder spreading were analyzed under varying operating parameters (spreading velocity (<em>V</em>), spreading height (<em>H</em>_set)) and particle size distribution (PSD). Additionally, powder bed density <em>ρ</em> and surface roughness <em>Ra</em> were also evaluated. Results indicate that low <em>H</em>_set facilitates the formation of short-length, stable force arches in front of the recoater, hindering powder fall onto the substrate. At low <em>V</em>, the force arches undergo partial collapse and are subsequently restored by surrounding particles, enabling high-frequency, small-quantity powder deposition, which results in higher <em>ρ</em> and lower <em>Ra</em>. Conversely, at high <em>V</em>, force arches collapse completely and require longer rebuilding periods, leading to periodic powder deposition and large voids in the powder bed. Increasing PSD standard deviation facilitates the stable force arches by large particles, permitting small particle percolation, which reduces <em>ρ</em> and <em>Ra.</em></div></div>","PeriodicalId":401,"journal":{"name":"Particuology","volume":"105 ","pages":"Pages 277-287"},"PeriodicalIF":4.3,"publicationDate":"2025-08-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144916307","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}

{"title":"Discrete simulations of combustion dynamics in coal particles: Insights into heat and mass transfer mechanisms","authors":"Li Dong ,&nbsp;Shanwei Hu ,&nbsp;Yufei Wang ,&nbsp;Xinhua Liu ,&nbsp;Wei Chen ,&nbsp;Ying Ren","doi":"10.1016/j.partic.2025.08.007","DOIUrl":"10.1016/j.partic.2025.08.007","url":null,"abstract":"<div><div>Coal remains a cornerstone of China's energy landscape, significantly contributing to primary energy production and consumption. This study investigates the combustion characteristics of coal particles using a discrete modeling approach to simulate the combustion behavior of single particles. The research reveals that larger particle sizes increase heat and mass transfer resistance, prolonging combustion duration, while higher ambient temperatures enhance convective heat transfer, accelerating combustion reactions. Additionally, the spatial distribution of inert cohesive beads significantly affects gas diffusion, with certain arrangements hindering gas release. The model is validated against current literature, demonstrating its capability to predict carbon conversion rates and combustion dynamics. These findings provide valuable insights into coal combustion mechanisms, offering a foundation for optimizing combustion processes and improving energy efficiency while addressing environmental concerns.</div></div>","PeriodicalId":401,"journal":{"name":"Particuology","volume":"105 ","pages":"Pages 217-228"},"PeriodicalIF":4.3,"publicationDate":"2025-08-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144903913","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}

{"title":"Application of design of experiments for optimizing solvent ratios in ceritinib spherical crystallization","authors":"Iva Zokić ,&nbsp;Jasna Prlić Kardum ,&nbsp;Mirta Sabol ,&nbsp;Valentina Travančić","doi":"10.1016/j.partic.2025.08.009","DOIUrl":"10.1016/j.partic.2025.08.009","url":null,"abstract":"<div><div>The granulometric properties of active pharmaceutical ingredients (APIs) have significance in the pharmaceutical industry because they affect the handling of powders and thus the efficiency of their production. Ceritinib, an anaplastic lymphoma kinase inhibitor used in the treatment of non-small cell lung cancer, exhibits platy crystals, which results in low flowability and compressibility and negatively affects its production and pharmaceutical application. Spherical crystallization is a promising method for improving the granulometric properties of APIs by transforming unfavorable particle shapes into a more favorable spherical form.</div><div>The aim of this research was to improve the granulometric properties of ceritinib through a combined spherical crystallization method in a system containing tetrahydrofuran as the solvent, water with polyvinylpyrrolidone as the antisolvent, and heptane as the bridging liquid. Experimental design was employed to examine and mathematically describe the influence of the solvent fractions in the selected system on the roundness of the obtained crystals and consequently their compressibility. Spherical crystals of ceritinib with high roundness and improved compressibility compared to powdered ceritinib were obtained. The enhanced powder characteristics facilitate the optimization of the production process, potentially minimizing the necessary number of process steps and increasing efficiency.</div></div>","PeriodicalId":401,"journal":{"name":"Particuology","volume":"105 ","pages":"Pages 249-258"},"PeriodicalIF":4.3,"publicationDate":"2025-08-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144916435","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}

{"title":"Mixing performance for wet and sticky bulk materials in a vertical blender using DEM simulation","authors":"Jie Li ,&nbsp;Yuanqiang Tan ,&nbsp;Shiyan Yan ,&nbsp;Sunsheng Zhou ,&nbsp;Jiangtao Zhang","doi":"10.1016/j.partic.2025.08.004","DOIUrl":"10.1016/j.partic.2025.08.004","url":null,"abstract":"<div><div>Wet and sticky bulk materials exhibit poor flowability during the mixing process, which prevents adequate contact between dry and wet particles. This results in uneven moisture distribution and deterioration in the mixing system. To address these issues, the mixing process of viscous concrete was focused on a vertical blender. A comprehensive investigation into mixing mechanisms and particles flow patterns were conducted using the discrete element method (DEM). The accuracy of the contact parameters in DEM was calibrated through repose angle and validated by torques tested in a custom-built mixing platform. And then, the effects of moisture content, filling level, rotational speed, and inclined angle were systematically investigated with respect to key mixing metrics: the relative standard deviation (<em>RSD</em>), coordination number (<em>CN</em>), segregation index (<em>SI</em>) of wet particles, as well as liquid mass. The results indicated that when the moisture content is 8 %, filling level is 50 %, and rotational speed is more than 60 rpm, the <em>CN</em> and mixing efficiency are acceptable, and the <em>RSD</em> and <em>SI</em> are low, thereby improving the mixing quality. The convective motion was revealed as the dominant flow regime through statistical quantification of diffusion coefficients and Peclet numbers. Finally, Box-Behnken Design was employed to develop quadratic polynomial models for <em>RSD</em>, <em>CN</em>, and <em>SI</em>, which demonstrated strong accuracy in predicting mixing performance and enabled systematic optimization of critical process parameters.</div></div>","PeriodicalId":401,"journal":{"name":"Particuology","volume":"105 ","pages":"Pages 229-248"},"PeriodicalIF":4.3,"publicationDate":"2025-08-20","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144911772","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}

{"title":"Unraveling multi-parameter coupling dynamics and building a machine learning-based predictive model for viscous dissipation rate in pin-type stirred mills","authors":"Shengdong Li ,&nbsp;Dexi Wang ,&nbsp;Honglei Yu ,&nbsp;Jinyuan Guo ,&nbsp;Gong Chen ,&nbsp;Lin Fan","doi":"10.1016/j.partic.2025.08.006","DOIUrl":"10.1016/j.partic.2025.08.006","url":null,"abstract":"<div><div>The rod and pin stirred mill is a key device for micron-sized powder production, yet the quantitative understanding of its grinding mechanism under multi-parameter coupling remains insufficient. This study develops a coupled flow field model based on computational fluid dynamic to investigate how agitator diameter, shaft diameter, and rotational speed influence viscous dissipation. Results reveal a positive correlation between these parameters and viscous dissipation rate, following a power-law relationship. Specifically, the agitator diameter shows a two-stage linear effect, while the shaft diameter exhibits Gaussian-type nonlinear growth. Numerical simulation combined with machine learning enables sensitivity analysis, indicating that rotational speed has the most significant impact, followed by shaft diameter and agitator diameter. The Gradient Boosting model demonstrates the highest prediction accuracy. These findings provide a quantitative basis for the engineering design of high-performance stirred mills.</div></div>","PeriodicalId":401,"journal":{"name":"Particuology","volume":"105 ","pages":"Pages 315-324"},"PeriodicalIF":4.3,"publicationDate":"2025-08-20","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144931725","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}