Pub Date : 2026-01-01Epub Date: 2025-10-28DOI: 10.1016/j.partic.2025.10.012
Shuo Qi, Feng Lv, Min Su
Caffeine (CAF) crystals tend to form a high aspect ratio needle-like morphology, which seriously affects their performance in the post-processing process. To achieve precise control of crystal morphology, molecular dynamics simulation was adopted to reveal the formation mechanism of needle-like crystal patterns. Based on this, the regulatory effects of various polymer additives on CAF crystals were screened. Verification experiment shows that polypropylene glycol 1000 (PPG1000) with strong hydrophobic properties and significant steric hindrance can significantly reduce the aspect ratio of CAF crystals by reducing the interfacial interaction energy between the (2 0 0) crystal plane and the solvent. Rod-shaped CAF crystals with a lower aspect ratio of approximately 16 were successfully prepared using PPG1000 addition amount of 0.82 % (g/g solvent). Further, the tapped density and the Angle of repose of the rod crystals were also tested. The polymer additive has effectively regulated the morphology of the needle crystals of CAF and its flow characteristics, which has significant scientific and engineering value for improving the performance of CAF crystal products and the design of similar needle crystalline systems.
{"title":"Regulation of polymer molecules on caffeine crystals of needle morphology and its flowability","authors":"Shuo Qi, Feng Lv, Min Su","doi":"10.1016/j.partic.2025.10.012","DOIUrl":"10.1016/j.partic.2025.10.012","url":null,"abstract":"<div><div>Caffeine (CAF) crystals tend to form a high aspect ratio needle-like morphology, which seriously affects their performance in the post-processing process. To achieve precise control of crystal morphology, molecular dynamics simulation was adopted to reveal the formation mechanism of needle-like crystal patterns. Based on this, the regulatory effects of various polymer additives on CAF crystals were screened. Verification experiment shows that polypropylene glycol 1000 (PPG1000) with strong hydrophobic properties and significant steric hindrance can significantly reduce the aspect ratio of CAF crystals by reducing the interfacial interaction energy between the (2 0 0) crystal plane and the solvent. Rod-shaped CAF crystals with a lower aspect ratio of approximately 16 were successfully prepared using PPG1000 addition amount of 0.82 % (g/g solvent). Further, the tapped density and the Angle of repose of the rod crystals were also tested. The polymer additive has effectively regulated the morphology of the needle crystals of CAF and its flow characteristics, which has significant scientific and engineering value for improving the performance of CAF crystal products and the design of similar needle crystalline systems.</div></div>","PeriodicalId":401,"journal":{"name":"Particuology","volume":"108 ","pages":"Pages 207-217"},"PeriodicalIF":4.3,"publicationDate":"2026-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145658581","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}
Pub Date : 2026-01-01Epub Date: 2025-11-20DOI: 10.1016/j.partic.2025.11.004
Liping Zhao , Chun Shen , Guangsheng Luo
Supported small TS-1 particles are important catalysts in the ammoximation of ketones, but still facing challenges such as agglomeration in the reaction system and long synthesis time. In this work, we report the fast synthesis of small TS-1 particles supported on porous glass beads in a microreactor. Short crystallization time of only 1.5 h is needed for the synthesis of TS-1 particles with the mean size of ∼200 nm. Effects of aging time, size of the microchannel, sol/support mass ratio, crystallization temperature, and surface areas of the porous glass beads on the morphology and catalytic performance for ammoximation of cyclohexanone have been studied systematically. The as-synthesized supported TS-1 catalyst achieved 82.4 % cyclohexanone conversion and >99 % selectivity to cyclohexanone oxime after reaction at 353 K for only 20 min, and the conversion rises to 97.6 % if the duration prolongs to 40 min, outperforming the commercial TS-1 catalyst and supported TS-1 catalyst synthesized in an autoclave (crystallized for 48 h).
{"title":"Fast synthesis of TS-1 on porous glass beads in a microreactor for cyclohexanone ammoximation","authors":"Liping Zhao , Chun Shen , Guangsheng Luo","doi":"10.1016/j.partic.2025.11.004","DOIUrl":"10.1016/j.partic.2025.11.004","url":null,"abstract":"<div><div>Supported small TS-1 particles are important catalysts in the ammoximation of ketones, but still facing challenges such as agglomeration in the reaction system and long synthesis time. In this work, we report the fast synthesis of small TS-1 particles supported on porous glass beads in a microreactor. Short crystallization time of only 1.5 h is needed for the synthesis of TS-1 particles with the mean size of ∼200 nm. Effects of aging time, size of the microchannel, sol/support mass ratio, crystallization temperature, and surface areas of the porous glass beads on the morphology and catalytic performance for ammoximation of cyclohexanone have been studied systematically. The as-synthesized supported TS-1 catalyst achieved 82.4 % cyclohexanone conversion and >99 % selectivity to cyclohexanone oxime after reaction at 353 K for only 20 min, and the conversion rises to 97.6 % if the duration prolongs to 40 min, outperforming the commercial TS-1 catalyst and supported TS-1 catalyst synthesized in an autoclave (crystallized for 48 h).</div></div>","PeriodicalId":401,"journal":{"name":"Particuology","volume":"108 ","pages":"Pages 230-240"},"PeriodicalIF":4.3,"publicationDate":"2026-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145659135","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}
Pub Date : 2026-01-01Epub Date: 2025-11-13DOI: 10.1016/j.partic.2025.11.002
Torben Bergold, Enric Illana-Mahiques, Viktor Scherer
Intraparticle models are crucial in the Discrete Element Method when particles are thermally thick. Accurately solving the intraparticle conservation equations using the finite volume method requires high spatial and temporal resolution, which significantly increases computational cost. This study presents a model that relies on tabulation to describe intraparticle heat conduction inside complex-shaped particles. This cost-effective method replaces the computationally expensive finite volume method without compromising the accuracy. The method has been applied to different particle shapes: a cylinder with two different aspect ratios, a cube, a square thin plate, a sphere and an irregular shape. Materials with very different thermal conductivities — glass, limestone, and wood — have also been examined. For wood particles, anisotropic heat conduction is considered as wood possesses directional thermal properties. The particles exchange heat with the surrounding gas by convection, where the gas-phase temperature varies over time between 350 K and 950 K as a superposition of four harmonic functions with different frequencies. The response of the particle surface temperature, core temperature, and internal temperature distributions is compared with results obtained from the finite volume method. The tabulated model accurately reproduced the temperatures of the finite volume method, with maximum root-mean-square deviations of 10 K. A speed-up factor of at least 100 was achieved using the tabulation method compared to the finite volume method, increasing further with higher mesh resolution.
{"title":"Tabulation applied to thermal conduction within complex particle geometries in the Discrete Element Method","authors":"Torben Bergold, Enric Illana-Mahiques, Viktor Scherer","doi":"10.1016/j.partic.2025.11.002","DOIUrl":"10.1016/j.partic.2025.11.002","url":null,"abstract":"<div><div>Intraparticle models are crucial in the Discrete Element Method when particles are thermally thick. Accurately solving the intraparticle conservation equations using the finite volume method requires high spatial and temporal resolution, which significantly increases computational cost. This study presents a model that relies on tabulation to describe intraparticle heat conduction inside complex-shaped particles. This cost-effective method replaces the computationally expensive finite volume method without compromising the accuracy. The method has been applied to different particle shapes: a cylinder with two different aspect ratios, a cube, a square thin plate, a sphere and an irregular shape. Materials with very different thermal conductivities — glass, limestone, and wood — have also been examined. For wood particles, anisotropic heat conduction is considered as wood possesses directional thermal properties. The particles exchange heat with the surrounding gas by convection, where the gas-phase temperature varies over time between 350 K and 950 K as a superposition of four harmonic functions with different frequencies. The response of the particle surface temperature, core temperature, and internal temperature distributions is compared with results obtained from the finite volume method. The tabulated model accurately reproduced the temperatures of the finite volume method, with maximum root-mean-square deviations of 10 K. A speed-up factor of at least 100 was achieved using the tabulation method compared to the finite volume method, increasing further with higher mesh resolution.</div></div>","PeriodicalId":401,"journal":{"name":"Particuology","volume":"108 ","pages":"Pages 83-98"},"PeriodicalIF":4.3,"publicationDate":"2026-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145658410","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}
This study examines local particle deposition in an idealized Weibel tracheobronchial model up to six generations (G0–G6). The Discrete Phase Model (DPM) was employed to simulate airflow and particle motion. This study aimed to explore the combined effects of transient airflow patterns and environmental conditions (body temperature and relative humidity). These environmental factors can alter airflow properties, which in turn affect particle transport and deposition in human airways. Results of this study show that airflow rate and body temperature have a strong influence on deposition and particle escape, with airflow rate being the dominant factor. Deposition increases with airflow rate, while body temperature reduces it. Moreover, particle escape decreases as more particles attach to the fluid phase. The highest deposition is predicted in G1. Furthermore, at the outlet, velocity is observed to be considerably higher than at the inlet, and particle trajectories remain asymmetrical despite the airway’s symmetrical geometry. Although this work is based on an idealized Weibel model that cannot fully replicate the patient-specific airways, the findings of this study under realistic environmental conditions provide valuable insights for fundamental research on particle behavior and deposition in the human respiratory system.
{"title":"CFD modeling of particle deposition in human airways: Effect of inhalation rate, body temperature, and relative humidity","authors":"Muhammad Adnan , Chanida Kampeewichean , Sorathan Tanprasert , Krittin Korkerd , Pornpote Piumsomboon , Sasipong Tipratchadaporn , Benjapon Chalermsinsuwan , Ratchanon Piemjaiswang","doi":"10.1016/j.partic.2025.11.001","DOIUrl":"10.1016/j.partic.2025.11.001","url":null,"abstract":"<div><div>This study examines local particle deposition in an idealized Weibel tracheobronchial model up to six generations (G0–G6). The Discrete Phase Model (DPM) was employed to simulate airflow and particle motion. This study aimed to explore the combined effects of transient airflow patterns and environmental conditions (body temperature and relative humidity). These environmental factors can alter airflow properties, which in turn affect particle transport and deposition in human airways. Results of this study show that airflow rate and body temperature have a strong influence on deposition and particle escape, with airflow rate being the dominant factor. Deposition increases with airflow rate, while body temperature reduces it. Moreover, particle escape decreases as more particles attach to the fluid phase. The highest deposition is predicted in G1. Furthermore, at the outlet, velocity is observed to be considerably higher than at the inlet, and particle trajectories remain asymmetrical despite the airway’s symmetrical geometry. Although this work is based on an idealized Weibel model that cannot fully replicate the patient-specific airways, the findings of this study under realistic environmental conditions provide valuable insights for fundamental research on particle behavior and deposition in the human respiratory system.</div></div>","PeriodicalId":401,"journal":{"name":"Particuology","volume":"108 ","pages":"Pages 99-112"},"PeriodicalIF":4.3,"publicationDate":"2026-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145658411","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}
Pub Date : 2026-01-01Epub Date: 2025-11-25DOI: 10.1016/j.partic.2025.11.010
Bingcheng Wang, Hui Jin, Haozhe Su, Liejin Guo
Supercritical water fluidized bed reactors (SCWFBRs) offer significant potential for large-scale hydrogen production, but their scale-up process remains challenging. Traditional scaling laws, such as Glicksman's sets, simplify or omit interphase and interparticle closure terms in conservation equations, limiting applicability under supercritical water conditions. To address this, a data-driven approach is proposed to develop a modified scaling law for SCWFBRs. A dataset was generated from two-fluid model (TFM) simulations across diverse operating conditions and reactor scales. Dimensional analysis, combined with a multi-layer perceptron (MLP) and a pattern search method, was then applied to identify a composite dimensionless number representing interaction closure terms in two-phase momentum equations. This number, together with dimensionless numbers derived from other momentum terms, was refined via XGBoost and backward stepwise feature selection to preserve essential design degrees of freedom, yielding the modified scaling law. Validation against key hydrodynamic indicators, including pressure drop fluctuations, particle volume fraction, and particle axial velocity, demonstrated that the modified law consistently outperforms Glicksman's criteria for both Geldart A and B particles, with the extent of improvement varying between particle types under a tenfold scale-up. These results highlight the importance of accounting for interphase and interparticle interactions in SCWFBRs and indicate that the data-driven approach is an effective tool for reactor design and scale-up.
{"title":"Identification of scaling law for supercritical water fluidized bed reactors via CFD and data-driven approach","authors":"Bingcheng Wang, Hui Jin, Haozhe Su, Liejin Guo","doi":"10.1016/j.partic.2025.11.010","DOIUrl":"10.1016/j.partic.2025.11.010","url":null,"abstract":"<div><div>Supercritical water fluidized bed reactors (SCWFBRs) offer significant potential for large-scale hydrogen production, but their scale-up process remains challenging. Traditional scaling laws, such as Glicksman's sets, simplify or omit interphase and interparticle closure terms in conservation equations, limiting applicability under supercritical water conditions. To address this, a data-driven approach is proposed to develop a modified scaling law for SCWFBRs. A dataset was generated from two-fluid model (TFM) simulations across diverse operating conditions and reactor scales. Dimensional analysis, combined with a multi-layer perceptron (MLP) and a pattern search method, was then applied to identify a composite dimensionless number representing interaction closure terms in two-phase momentum equations. This number, together with dimensionless numbers derived from other momentum terms, was refined via XGBoost and backward stepwise feature selection to preserve essential design degrees of freedom, yielding the modified scaling law. Validation against key hydrodynamic indicators, including pressure drop fluctuations, particle volume fraction, and particle axial velocity, demonstrated that the modified law consistently outperforms Glicksman's criteria for both Geldart A and B particles, with the extent of improvement varying between particle types under a tenfold scale-up. These results highlight the importance of accounting for interphase and interparticle interactions in SCWFBRs and indicate that the data-driven approach is an effective tool for reactor design and scale-up.</div></div>","PeriodicalId":401,"journal":{"name":"Particuology","volume":"108 ","pages":"Pages 168-182"},"PeriodicalIF":4.3,"publicationDate":"2026-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145658578","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}
Pub Date : 2026-01-01Epub Date: 2025-11-24DOI: 10.1016/j.partic.2025.11.006
Hua Chen , Shuyan Wang , Yansheng Chen , Xiaoxue Jiang , Nuo Ding , Baoli Shao , Xuewen Wang
In the process of natural gas exploitation and transportation, the problem of pipeline erosion and wear due to gas-liquid-solid three-phase flow is widespread. The repetitive impact of sand particles against the pipe wall results in the weakening of the wall surface, and the consequences are perforation or even leakage, posing a significant risk to both production and the environment. In this study, the volume of fluid (VOF) multiphase flow model in conjunction with the discrete phase model (DPM) is employed to simulate the particle flow behavior of gas-liquid-solid multiphase flow in vertical-horizontal elbow. Furthermore, the erosion behavior of multiphase flow in the elbow is studied by means of the Oka model. The predicted void fraction of gas and erosion rate are in good agreement with the experimental results measured by Parsi et al. Furthermore, the influence laws of liquid film, gas velocity, particle size and particle mass flow rate on elbow erosion have been obtained. The findings indicate that the existence of liquid film enhances the resistance of particles, curtails the erosion rate, and exerts a buffering effect on erosion. The gas velocity and the Stokes number rise, prompting the particles to deviate from the fluid streamline and their collision velocity to augment. While the inertia force of the particles intensifies, and the buffering impact of the liquid film diminishes with an increase of the particle size. Also, the variation trend in the number of particles is in line with the probability of collision and the size of the collision region.
{"title":"Simulation study on gas-liquid-solid multiphase flow characteristics and erosion mechanism in a natural gas bend","authors":"Hua Chen , Shuyan Wang , Yansheng Chen , Xiaoxue Jiang , Nuo Ding , Baoli Shao , Xuewen Wang","doi":"10.1016/j.partic.2025.11.006","DOIUrl":"10.1016/j.partic.2025.11.006","url":null,"abstract":"<div><div>In the process of natural gas exploitation and transportation, the problem of pipeline erosion and wear due to gas-liquid-solid three-phase flow is widespread. The repetitive impact of sand particles against the pipe wall results in the weakening of the wall surface, and the consequences are perforation or even leakage, posing a significant risk to both production and the environment. In this study, the volume of fluid (VOF) multiphase flow model in conjunction with the discrete phase model (DPM) is employed to simulate the particle flow behavior of gas-liquid-solid multiphase flow in vertical-horizontal elbow. Furthermore, the erosion behavior of multiphase flow in the elbow is studied by means of the Oka model. The predicted void fraction of gas and erosion rate are in good agreement with the experimental results measured by Parsi et al. Furthermore, the influence laws of liquid film, gas velocity, particle size and particle mass flow rate on elbow erosion have been obtained. The findings indicate that the existence of liquid film enhances the resistance of particles, curtails the erosion rate, and exerts a buffering effect on erosion. The gas velocity and the Stokes number rise, prompting the particles to deviate from the fluid streamline and their collision velocity to augment. While the inertia force of the particles intensifies, and the buffering impact of the liquid film diminishes with an increase of the particle size. Also, the variation trend in the number of particles is in line with the probability of collision and the size of the collision region.</div></div>","PeriodicalId":401,"journal":{"name":"Particuology","volume":"108 ","pages":"Pages 143-155"},"PeriodicalIF":4.3,"publicationDate":"2026-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145658414","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}
Pub Date : 2026-01-01Epub Date: 2025-11-07DOI: 10.1016/j.partic.2025.10.023
Xuetao Wang , Yuchen Shao , Zhiran Mao , Yulian Wang , Baoyu Cui , Andrew Bayly
This study employed coupled the Computational Fluid Dynamics-Population Balance Model (CFD-PBM) framework and Kinetic Theory of Granular Flow (KTGF) to investigate the flocculation and sedimentation dynamics of polymodal tailings particles in a lab-scale gravity thickener. The Euler-Euler multiphase model and RNG k-ε turbulence model are integrated to simulate solid-liquid interactions and turbulent flow characteristics, while flocculation kinetics, including aggregation and breakage mechanisms, are incorporated to quantify particle size evolution. The influence of feed velocity on flow field characteristics and particle flocculation-sedimentation efficiency was analyzed through visualization. The results indicated that the turbulent energy distribution is highly sensitive to the feed velocity. The optimal velocity range (2.0–2.5 m/s) promotes a balanced aggregation-breakage dynamics of particles, stabilizing the formation of larger flocs and enhancing sedimentation. Excessively high feed velocities (>3.0 m/s) induce stronger turbulence, reducing floc size and impairing sedimentation efficiency. Spatial analysis reveals that fine particles (<50 μm) are widely dispersed, while large flocs (>100 μm) dominate the underflow solid concentration. The impact of floc size and density on sedimentation was also examined. This study identifies a critical threshold for feed velocity to optimize thickener performance, providing a theoretical basis for process intensification in industrial thickeners.
{"title":"Tailings flocculation and sedimentation in a lab-scale gravity thickener by CFD modelling","authors":"Xuetao Wang , Yuchen Shao , Zhiran Mao , Yulian Wang , Baoyu Cui , Andrew Bayly","doi":"10.1016/j.partic.2025.10.023","DOIUrl":"10.1016/j.partic.2025.10.023","url":null,"abstract":"<div><div>This study employed coupled the Computational Fluid Dynamics-Population Balance Model (CFD-PBM) framework and Kinetic Theory of Granular Flow (KTGF) to investigate the flocculation and sedimentation dynamics of polymodal tailings particles in a lab-scale gravity thickener. The Euler-Euler multiphase model and RNG <em>k-ε</em> turbulence model are integrated to simulate solid-liquid interactions and turbulent flow characteristics, while flocculation kinetics, including aggregation and breakage mechanisms, are incorporated to quantify particle size evolution. The influence of feed velocity on flow field characteristics and particle flocculation-sedimentation efficiency was analyzed through visualization. The results indicated that the turbulent energy distribution is highly sensitive to the feed velocity. The optimal velocity range (2.0–2.5 m/s) promotes a balanced aggregation-breakage dynamics of particles, stabilizing the formation of larger flocs and enhancing sedimentation. Excessively high feed velocities (>3.0 m/s) induce stronger turbulence, reducing floc size and impairing sedimentation efficiency. Spatial analysis reveals that fine particles (<50 μm) are widely dispersed, while large flocs (>100 μm) dominate the underflow solid concentration. The impact of floc size and density on sedimentation was also examined. This study identifies a critical threshold for feed velocity to optimize thickener performance, providing a theoretical basis for process intensification in industrial thickeners.</div></div>","PeriodicalId":401,"journal":{"name":"Particuology","volume":"108 ","pages":"Pages 183-195"},"PeriodicalIF":4.3,"publicationDate":"2026-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145658579","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}
Industrial processes based on packed beds with gaseous flow come with high energy and resource consumption. To gain a better understanding of these phenomena, it is essential to investigate flow properties inside such systems. This study presents a novel reactor concept that allows for direct optical measurements inside the voids of the packing. It is based on polyhedral parallel arranged particles in a modular way. Through the modularity different regular and irregular configurations can be generated allowing for direct optical access avoiding major distortion. Particle Image Velocimetry (PIV) is applied to obtain spatially and temporally highly resolved 2D flow fields of the ambient temperature gas flow through the packing. Two different particle Reynolds numbers (100 and 1000) are investigated to validate the concept of the novel reactor model. The successful application of PIV to the inner pores of the bed, delivering reliable snapshot based data, mean velocity and turbulent kinetic energy of the gas flow, shows the potential of this reactor concept also for other optical measurement techniques that allow for the validation of numerical models and simulations of packed bed reactors.
{"title":"Allowing optical measurements in a 3D packed bed with gas flow: A novel reactor concept","authors":"Christin Velten, Kerstin Hülz, Katharina Zähringer","doi":"10.1016/j.partic.2025.11.018","DOIUrl":"10.1016/j.partic.2025.11.018","url":null,"abstract":"<div><div>Industrial processes based on packed beds with gaseous flow come with high energy and resource consumption. To gain a better understanding of these phenomena, it is essential to investigate flow properties inside such systems. This study presents a novel reactor concept that allows for direct optical measurements inside the voids of the packing. It is based on polyhedral parallel arranged particles in a modular way. Through the modularity different regular and irregular configurations can be generated allowing for direct optical access avoiding major distortion. Particle Image Velocimetry (PIV) is applied to obtain spatially and temporally highly resolved 2D flow fields of the ambient temperature gas flow through the packing. Two different particle Reynolds numbers (100 and 1000) are investigated to validate the concept of the novel reactor model. The successful application of PIV to the inner pores of the bed, delivering reliable snapshot based data, mean velocity and turbulent kinetic energy of the gas flow, shows the potential of this reactor concept also for other optical measurement techniques that allow for the validation of numerical models and simulations of packed bed reactors.</div></div>","PeriodicalId":401,"journal":{"name":"Particuology","volume":"108 ","pages":"Pages 293-306"},"PeriodicalIF":4.3,"publicationDate":"2026-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145735086","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}
Pub Date : 2026-01-01Epub Date: 2025-11-10DOI: 10.1016/j.partic.2025.10.024
Tongtong Wang , Yumin Wang , Jinbo Zeng , Bo Li , Haitao Feng , Yue Shen , Chunxi Hai , Kaisheng Xia , Yuan Zhou
Ni-rich cathode materials for lithium-ion batteries have attracted much attention due to their high capacity and low cost; however, they are structurally and thermodynamically unstable, and their cycling performance also needs to be further improved to meet the needs of large-scale commercial applications. Herein, a synergistic K+ and F− co-doping strategy is used to enhance performance of Ni-rich LiNi0.8Co0.1Mn0.1O2 cathode material. Trace surface K+ doping forms large polyhedral primary particles with sharp edges, hindering dense aggregation and promoting uniform internal porosity within secondary particles. Bulk F− doping stabilizes the structure. This co-doping, combined with the porous architecture, significantly improves electrolyte infiltration, shortens Li+ pathways, reduces Li+/Ni2+ disordering, and lowers Li+ migration barriers, facilitates a stable cathode electrolyte interface (CEI), mitigates polarization and suppresses lattice oxygen loss. The optimized KF30 sample delivers 173.0 mAh g−1 at 8 C (111 % of undoped KF00 capacity). After 200 cycles at 1 C, it retains 170.5 mAh g−1 (88.39 % retention), outperforming KF00 by 12.36 %. This strategy provides a cost-effective approach to boost Ni-rich cathode stability and electrochemical properties for lithium-ion batteries.
富镍锂离子电池正极材料因其高容量、低成本而备受关注；然而，它们在结构和热力学上都不稳定，其循环性能还需要进一步提高，以满足大规模商业应用的需要。本文采用K+和F−协同共掺杂策略提高了富镍LiNi0.8Co0.1Mn0.1O2正极材料的性能。微量表面K+掺杂形成边缘锋利的大多面体初级颗粒，阻碍了次级颗粒的密集聚集，促进了次级颗粒内部孔隙度均匀。大量F−掺杂使结构稳定。这种共掺杂与多孔结构相结合，显著改善了电解质的渗透，缩短了Li+路径，减少了Li+/Ni2+的无序性，降低了Li+的迁移障碍，促进了阴极电解质界面（CEI）的稳定，减轻了极化，抑制了晶格氧的损失。优化后的KF30样品在8℃下可提供173.0 mAh g−1（为未掺杂KF00容量的111%）。在1℃下循环200次后，它保持170.5 mAh g - 1（保持率为88.39%），比KF00高出12.36%。该策略为提高锂离子电池的富镍阴极稳定性和电化学性能提供了一种经济有效的方法。
{"title":"Porous Ni-rich cathode material constructed by K+ and F− co-doping","authors":"Tongtong Wang , Yumin Wang , Jinbo Zeng , Bo Li , Haitao Feng , Yue Shen , Chunxi Hai , Kaisheng Xia , Yuan Zhou","doi":"10.1016/j.partic.2025.10.024","DOIUrl":"10.1016/j.partic.2025.10.024","url":null,"abstract":"<div><div>Ni-rich cathode materials for lithium-ion batteries have attracted much attention due to their high capacity and low cost; however, they are structurally and thermodynamically unstable, and their cycling performance also needs to be further improved to meet the needs of large-scale commercial applications. Herein, a synergistic K<sup>+</sup> and F<sup>−</sup> co-doping strategy is used to enhance performance of Ni-rich LiNi<sub>0.8</sub>Co<sub>0.1</sub>Mn<sub>0.1</sub>O<sub>2</sub> cathode material. Trace surface K<sup>+</sup> doping forms large polyhedral primary particles with sharp edges, hindering dense aggregation and promoting uniform internal porosity within secondary particles. Bulk F<sup>−</sup> doping stabilizes the structure. This co-doping, combined with the porous architecture, significantly improves electrolyte infiltration, shortens Li<sup>+</sup> pathways, reduces Li<sup>+</sup>/Ni<sup>2+</sup> disordering, and lowers Li<sup>+</sup> migration barriers, facilitates a stable cathode electrolyte interface (CEI), mitigates polarization and suppresses lattice oxygen loss. The optimized KF30 sample delivers 173.0 mAh g<sup>−1</sup> at 8 C (111 % of undoped KF00 capacity). After 200 cycles at 1 C, it retains 170.5 mAh g<sup>−1</sup> (88.39 % retention), outperforming KF00 by 12.36 %. This strategy provides a cost-effective approach to boost Ni-rich cathode stability and electrochemical properties for lithium-ion batteries.</div></div>","PeriodicalId":401,"journal":{"name":"Particuology","volume":"108 ","pages":"Pages 218-229"},"PeriodicalIF":4.3,"publicationDate":"2026-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145658582","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}
Pub Date : 2026-01-01Epub Date: 2025-11-14DOI: 10.1016/j.partic.2025.11.003
Le Sun , Yan Gao , Quan Yuan , Yanlun Wang , Xudong Tang
This study investigates the creep characteristics of calcareous sand with three realistic and typical particle shapes (lump, dendritic, and biogenic debris) under different deviatoric stress ratios through multistage loading triaxial creep tests. The particle breakage patterns and creep mechanisms of calcareous sands are revealed based on CT scanning. The results demonstrate that lump-shaped calcareous sand exhibits the smallest axial creep deformation, the longest duration of creep structural effect, and the latest occurrence of creep failure stage, manifesting as volumetric expansion. Dendritic calcareous sand shows intermediate axial creep deformation, significantly shortened creep structural effect duration, and slight volumetric contraction. Biogenic debris calcareous sand presents the largest axial creep deformation, the shortest creep structural effect duration, and considerable volumetric contraction. After creep, lump-shaped calcareous sand displays the least particle breakage, dominated by particle grinding and overall breakage modes; dendritic calcareous sand exhibits intermediate particle breakage, primarily through particle fracture; while biogenic debris calcareous sand suffers the most severe breakage, characterized by penetrating fractures and overall breakage modes. The shape characteristics of all three particle morphologies are significantly affected by creep. After creep, the fractal dimension and mean aspect ratio of both lump-shaped and biogenic debris calcareous sands increase, whereas those of dendritic calcareous sand decrease. Particle shape ultimately determines creep behavior differences by regulating force chain distribution, breakage modes, and breakage degree. This study elucidates the variations and control mechanisms in creep deformation among three particle shapes of calcareous sand, providing theoretical foundations for marine engineering design.
{"title":"Effect of particle shape on creep behavior of calcareous sand and the underlying mechanism","authors":"Le Sun , Yan Gao , Quan Yuan , Yanlun Wang , Xudong Tang","doi":"10.1016/j.partic.2025.11.003","DOIUrl":"10.1016/j.partic.2025.11.003","url":null,"abstract":"<div><div>This study investigates the creep characteristics of calcareous sand with three realistic and typical particle shapes (lump, dendritic, and biogenic debris) under different deviatoric stress ratios through multistage loading triaxial creep tests. The particle breakage patterns and creep mechanisms of calcareous sands are revealed based on CT scanning. The results demonstrate that lump-shaped calcareous sand exhibits the smallest axial creep deformation, the longest duration of creep structural effect, and the latest occurrence of creep failure stage, manifesting as volumetric expansion. Dendritic calcareous sand shows intermediate axial creep deformation, significantly shortened creep structural effect duration, and slight volumetric contraction. Biogenic debris calcareous sand presents the largest axial creep deformation, the shortest creep structural effect duration, and considerable volumetric contraction. After creep, lump-shaped calcareous sand displays the least particle breakage, dominated by particle grinding and overall breakage modes; dendritic calcareous sand exhibits intermediate particle breakage, primarily through particle fracture; while biogenic debris calcareous sand suffers the most severe breakage, characterized by penetrating fractures and overall breakage modes. The shape characteristics of all three particle morphologies are significantly affected by creep. After creep, the fractal dimension and mean aspect ratio of both lump-shaped and biogenic debris calcareous sands increase, whereas those of dendritic calcareous sand decrease. Particle shape ultimately determines creep behavior differences by regulating force chain distribution, breakage modes, and breakage degree. This study elucidates the variations and control mechanisms in creep deformation among three particle shapes of calcareous sand, providing theoretical foundations for marine engineering design.</div></div>","PeriodicalId":401,"journal":{"name":"Particuology","volume":"108 ","pages":"Pages 1-13"},"PeriodicalIF":4.3,"publicationDate":"2026-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145658395","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}
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