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Keywords = kinetics modeling

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31 pages, 4487 KB  
Article
Modeling of PEEK Crystallization Kinetics Under Transient Thermal Conditions
by Shahil Hamid, To Yu Troy Su, Soroush Azhdari, Abdullah Al Faysal, Patrick C. Lee and Sergii G. Kravchenko
Polymers 2026, 18(7), 825; https://doi.org/10.3390/polym18070825 (registering DOI) - 27 Mar 2026
Abstract
This study develops a kinetic model that captures poly-ether-ether-ketone (PEEK) crystallization over a temperature T window from glass transition (Tg) to melting (Tm) temperature, and across cooling rates from 5 to ~103 °C/min. The framework is [...] Read more.
This study develops a kinetic model that captures poly-ether-ether-ketone (PEEK) crystallization over a temperature T window from glass transition (Tg) to melting (Tm) temperature, and across cooling rates from 5 to ~103 °C/min. The framework is a parallel dual-Nakamura formulation whose isokinetic parameters {kiT,ni,wiT} are obtained from a bi-level non-linear regression of isothermal crystallization tests conducted using a flash-differential scanning calorimeter (FSC). The weight wiT partitions the faster primary and slower secondary crystallization and is represented by a physics-based analytical function that captures its dome-shaped temperature dependence. A maximum isothermally achievable enthalpy function is introduced so that the model predicts enthalpy ΔH(t) natively under arbitrary thermal profiles. To extend this isothermal backbone to non-isothermal conditions, two explicit cooling-rate-dependent scalars are introduced, ωT˙ and χT˙, which shift wiT and limit attainable crystallinity at high cooling rates respectively. Finally, a rate-dependent induction time relation is added to adjust the onset of crystallization. Calibrating these rate functions against non-isothermal experiments, while keeping the isokinetic parameters fixed, yields a single isothermal–non-isothermal model that predicts ΔH(t) under arbitrary T(t) profiles. Model performance is validated using an interrupted FSC experiment with a multi-segment cooling program that mimics a local transient thermal history of PEEK during additive manufacturing. The sample is cooled through successive constant-rate segments with intermittent quench–remelt cycles to probe the accumulated crystallinity along the path. Without additional fitting, the model predicts the measured enthalpy evolution with R2 ≈ 0.95. The framework thus provides a practical route for predicting polymer crystallinity under processing-relevant thermal histories. Full article
(This article belongs to the Section Polymer Analysis and Characterization)
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33 pages, 5971 KB  
Article
Energy-Efficient and Reliable Hydrodynamic Separation of Spent Drilling Fluids: Experiments, Modeling, and Process Stability
by Bakytzhan Kaliyev, Beibit Myrzakhmetov, Bulbul Mauletbekova, Bibinur Akhymbayeva, Gulzada Mashatayeva, Yerik Merkibayev, Vladimir I. Golik and Boris V. Malozyomov
Energies 2026, 19(7), 1659; https://doi.org/10.3390/en19071659 - 27 Mar 2026
Abstract
The treatment of spent drilling fluids generated during the drilling of technological wells for uranium production represents an important engineering and environmental challenge associated with high energy consumption, significant waste generation, and the need for rational water use under arid regional conditions. Conventional [...] Read more.
The treatment of spent drilling fluids generated during the drilling of technological wells for uranium production represents an important engineering and environmental challenge associated with high energy consumption, significant waste generation, and the need for rational water use under arid regional conditions. Conventional phase separation methods based on gravitational settling and chemical–mechanical treatment are characterized by limited process controllability, long processing times, and increased consumption of reagents and energy. This study proposes an energy-efficient and reliable hydrodynamic technology for the treatment of spent drilling fluids based on the formation of controlled turbulent structures without the use of mechanical drives. The research object comprised spent drilling fluids (SDFs) generated during the drilling of technological wells for uranium production in the southern regions of the Republic of Kazakhstan and the Kyzylorda region. Experimental investigations were carried out using a laboratory–pilot hydrodynamic disperser with variations in velocity gradient, treatment time, flocculant dosage, and suspension flow rate. A mathematical model linking hydrodynamic process parameters with phase separation kinetics and energy characteristics was developed. Model calibration by weighted nonlinear least squares yielded a stable parameter set with 95% confidence intervals, and model validation demonstrated good agreement between calculated and experimental data (MAPE 8.4%; maximum relative error 11.8%). It was established that the use of a hydrodynamic disperser provides separation efficiency of up to 90–95% under optimal operating conditions while reducing specific energy consumption and maintaining stable repeated-cycle performance within the investigated operating window. Experimental results confirm that implementation of the hydrodynamic technology enables a reduction in sludge volume by 40–60%, recovery of up to 60–80% of process water, and a significant decrease in waste requiring transportation and disposal. The obtained results demonstrate the high environmental and resource-saving efficiency of the proposed technology and its suitability for scaling and industrial implementation at facilities drilling technological wells for uranium production. The developed hydrodynamic approach can be considered an effective engineering platform for creating energy-efficient and sustainable systems for drilling fluid treatment in regions with limited water resources and remote industrial infrastructure. Full article
(This article belongs to the Section B: Energy and Environment)
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18 pages, 1636 KB  
Article
Microwave-Assisted Alkaline Leaching of Aluminum from Coal Fly Ash Using Amorphous Graphite: Experimental Study and Kinetic Analysis
by Nursaule Baatarbek, Lyazzat Mussapyrova, Aisulu Batkal, Bagdatgul Milikhat, Roza Abdulkarimova, Almagul Niyazbaeva, Timur Osserov and Kaster Kamunur
Minerals 2026, 16(4), 356; https://doi.org/10.3390/min16040356 - 27 Mar 2026
Abstract
This study investigated the extraction of aluminum from aluminum silicate-rich coal ash from the ash-slag waste of the Almaty CHP-2 power station using microwave-assisted alkaline leaching. The high chemical stability of the quartz and mullite phases in the ash leads to high energy [...] Read more.
This study investigated the extraction of aluminum from aluminum silicate-rich coal ash from the ash-slag waste of the Almaty CHP-2 power station using microwave-assisted alkaline leaching. The high chemical stability of the quartz and mullite phases in the ash leads to high energy consumption during conventional acid–base treatment. To improve the kinetic parameters of the leaching process, amorphous graphite was therefore used as an active additive, which effectively absorbs microwave energy. The experiments were conducted in the temperature range of 50–200 °C, in 1–6 M NaOH solution, and over a period of 5–30 min. The amount of amorphous graphite varied between 5 and 20 wt%. The proportion of amorphous graphite varied between 5 and 20 wt%. Upon microwave irradiation, the graphite-free ash reached a temperature of 200 °C within approximately 12 min, whereas this temperature was reached in the system with 15% amorphous graphite after only 8–9 min. At low alkali concentrations (1–2 M NaOH), the aluminum transfer into solution in the graphite-free system was approximately 18%–35%. With increasing NaOH concentrations to 3–4 M, the aluminum removal efficiency increased to 38%–58%. Under the same temperature conditions, the leaching process was significantly accelerated by the addition of amorphous graphite; thus, at temperatures near 200 °C and in a 5–6 M NaOH solution, 70%–72% of aluminum was removed. The leaching kinetics were analyzed using the shrinking core model. The results showed that the apparent activation energy of the reaction decreased from 54 kJ/mol to 32 kJ/mol in the presence of graphite. These results suggest that microwave-assisted alkaline leaching in the presence of amorphous graphite is an energy-efficient and promising method for aluminum recovery from coal ash. Full article
(This article belongs to the Section Mineral Processing and Extractive Metallurgy)
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23 pages, 2015 KB  
Article
Energy Storage Sizing for Wind-Storage Frequency Regulation: Kinetic Energy Recovery and Secondary Frequency Drop Suppression
by Guodong Song, Xianshan Li and Yuanhang Zhang
Energies 2026, 19(7), 1652; https://doi.org/10.3390/en19071652 - 27 Mar 2026
Abstract
High wind power penetration aggravates power system inertia scarcity, and wind turbines switching to MPPT mode after virtual inertia support induces secondary frequency drop (SFD), impairing grid frequency stability. Traditional energy storage system (ESS) sizing methods fail to couple wind turbine virtual inertia [...] Read more.
High wind power penetration aggravates power system inertia scarcity, and wind turbines switching to MPPT mode after virtual inertia support induces secondary frequency drop (SFD), impairing grid frequency stability. Traditional energy storage system (ESS) sizing methods fail to couple wind turbine virtual inertia dynamics, rotor kinetic energy recovery and time-varying wind speeds, causing a trade-off between regulation performance and economy. To address this, an optimal ESS sizing method for wind-storage coordinated frequency regulation is proposed, including a doubly fed induction generator (DFIG) model for virtual inertia-power drop correlation, an incomplete compensation strategy, and a constrained three-objective optimization model co-optimizing virtual inertia and ESS parameters. The method, solved by NSGA-II with fuzzy membership functions, is validated on a 1000 MVA grid with a 245 MW DFIG wind farm. Results show it mitigates SFD, avoids ESS over-sizing, and balances performance and economy, breaking the decoupling between traditional ESS sizing and the virtual inertia dynamics of wind turbines. Full article
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7 pages, 194 KB  
Proceeding Paper
Muscle Activity of Hip Adductor During Closed Kinetic Chain Movement
by Atsushi Iwashita, Yuto Konishi, Iori Arisue, Genki Adachi and Satoshi Nakanishi
Eng. Proc. 2026, 129(1), 26; https://doi.org/10.3390/engproc2026129026 - 27 Mar 2026
Abstract
The closed kinetic chain is an essential movement method for humans in daily life, and is also important as a training method. However, there have been few studies focusing on the hip adductor muscles. We used electromyography to measure the muscle activity of [...] Read more.
The closed kinetic chain is an essential movement method for humans in daily life, and is also important as a training method. However, there have been few studies focusing on the hip adductor muscles. We used electromyography to measure the muscle activity of the hip adductor muscles during walking and standing movements as part of daily living activities, as well as bicycle ergometer exercise and squats. Concerning the role of the adductor muscles, they are thought to stabilize the pelvis during the unilateral support phase when walking, and to act as hip extension and hip alignment adjustment during cycle ergometer exercise. By using electromyography and inertial sensors, the results of this study showed that wearable technologies can be used to quantify neuromuscular function during closed kinetic chain movements. The results serve as a reference for the development of rehabilitation devices, assistive technologies, and computational models that need the simulation of hip joint mechanics. Linking muscle activity data to engineering-based strategies enables precise musculoskeletal assessment and intervention beyond biological observation. Full article
18 pages, 1543 KB  
Article
Paracetamol Removal from Aqueous Media Through Fenton Reaction Using ZSM-5 Zeolite Produced from Fly Ash
by Nuno Horta, Sofia Martins, Hugo F. Silva, Nelson Nunes, Ana S. Mestre, Ana P. Carvalho and Angela Martins
Molecules 2026, 31(7), 1104; https://doi.org/10.3390/molecules31071104 - 27 Mar 2026
Abstract
The purpose of this study is the exploration of the catalytic performance of a ZSM-5 zeolite produced from iron-rich fly ash, without any additional iron loading, in removing paracetamol via a heterogenous Fenton reaction. The structural and textural characterization by powder X-ray diffraction [...] Read more.
The purpose of this study is the exploration of the catalytic performance of a ZSM-5 zeolite produced from iron-rich fly ash, without any additional iron loading, in removing paracetamol via a heterogenous Fenton reaction. The structural and textural characterization by powder X-ray diffraction and N2 adsorption isotherms showed that a pure ZSM-5 phase was synthesized, but lower crystallinity and textural parameters were obtained when compared with commercial ZSM-5. The XPS analysis revealed significant amounts of iron and yttrium, which enhanced the electronic properties of the samples’ surface when compared with iron-impregnated commercial ZSM-5. The catalytic reaction was followed through UV-spectroscopy and kinetic models were applied to the data; the best fit was obtained for a pseudo-first-order model. All fly ash-based zeolites showed increased paracetamol removal when compared with commercial iron-loaded ZSM-5, which may be attributed to the more disordered structure, able to accommodate large paracetamol species (dimers). On the other hand, the effect of yttrium on the electronic properties of iron sites may increase the OH radical formation, thus increasing the paracetamol removal rate, despite the progressive drop on paracetamol removal upon regeneration–reuse cycles due to Fe leaching. Full article
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47 pages, 1851 KB  
Review
Progress in Biomass Combustion Systems for Ultra-Low Emissions
by Chan Guo, Nan Qu, Zheng Xu, Yiwei Jia, Mengyao Hou and Lige Tong
Energies 2026, 19(7), 1648; https://doi.org/10.3390/en19071648 - 27 Mar 2026
Abstract
Biomass combustion, as a key technology for achieving a low-carbon transformation of the energy system, faces multiple challenges in its efficient and clean utilization, including the high heterogeneity of fuels, the complex multi-scale coupling of the combustion process, and the attainment of ultra-low [...] Read more.
Biomass combustion, as a key technology for achieving a low-carbon transformation of the energy system, faces multiple challenges in its efficient and clean utilization, including the high heterogeneity of fuels, the complex multi-scale coupling of the combustion process, and the attainment of ultra-low emissions. Traditional research methods have significant disconnections between microscopic mechanism understanding, macroscopic performance prediction of reactors, and end-of-pipe pollution control, which restricts the improvement of system performance. This review presents recent advances in advanced numerical simulation, pollutant control strategies, and bioenergy with carbon capture and storage (BECCS) pathways targeting ultra-low emissions in biomass combustion. This work synthesizes progress across three interconnected domains. First, methodologies are examined for integrating detailed chemical kinetics, particle-scale models, and reactor-scale simulations to develop high-fidelity predictive tools. Second, low-nitrogen combustion and synergistic pollutant control strategies for primary furnace types (e.g., grate, fluidized bed) are evaluated, alongside process optimization from fuel pretreatment to flue gas purification. Third, the potential for integrated design of biomass energy systems with carbon capture is assessed, emphasizing that system efficiency hinges on holistic “fuel-combustion-capture” chain optimization rather than isolated unit improvements. Future research directions are highlighted, including the development of physics-informed AI modeling paradigms, deeper co-design of multiple processes, and the establishment of robust life-cycle assessment frameworks. This review aims to provide a structured reference to inform both fundamental research and the practical development of next-generation clean biomass combustion technologies. Full article
(This article belongs to the Section A4: Bio-Energy)
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20 pages, 2098 KB  
Article
Cellular Target Engagement and Dissociation Kinetics of Class I-Selective Histone Deacetylase (HDAC) Inhibitors
by Irina Honin, Zora Novakova, Felix Feller, Simon Schneider, Linda Schäker-Hübner, Cyril Barinka and Finn K. Hansen
Int. J. Mol. Sci. 2026, 27(7), 3036; https://doi.org/10.3390/ijms27073036 - 26 Mar 2026
Abstract
Histone deacetylases (HDACs) 1–3 are key regulators of gene expression and represent important therapeutic targets in cancer, neurodegenerative, and immune disorders. Many potent class I HDAC inhibitors display slow- and tight-binding kinetics, which profoundly influence their efficacy and pharmacodynamics. In particular, their dissociation [...] Read more.
Histone deacetylases (HDACs) 1–3 are key regulators of gene expression and represent important therapeutic targets in cancer, neurodegenerative, and immune disorders. Many potent class I HDAC inhibitors display slow- and tight-binding kinetics, which profoundly influence their efficacy and pharmacodynamics. In particular, their dissociation rate (off-kinetic) is critical, since prolonged target engagement greatly influences drug efficacy in vivo. However, the off-kinetics of HDAC inhibitors are often overlooked in the early stages of drug development. Here, we investigated the dissociation kinetics of tucidinostat, trapoxin A, and TNG260 in comparison to the pan-HDAC inhibitor vorinostat. Using biochemical 100-fold jump dilution assays, NanoBRET assays, and cellular washout experiments, we characterized the dissociation of these compounds from purified proteins and in a cellular context. Tucidinostat showed moderately slow off-kinetics, while the clinical candidate TNG260 demonstrated pronounced tight-binding properties. Trapoxin A displayed remarkable discrepancies between assays, as it showed fast dissociation kinetics in the biochemical assay, but tight-binding properties in a cellular setting. These findings not only address the previously unexplored dissociation kinetics of two clinically relevant inhibitors, but also underscore the importance of comprehensive kinetic profiling of novel HDAC inhibitors in cellular models. Full article
(This article belongs to the Special Issue Novel Therapeutic Targets in Cancers: 4th Edition)
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20 pages, 5855 KB  
Article
Internal Flow, Vibration, and Noise Characteristics of a Magnetic Pump at Different Rotational Speeds
by Fei Zhao, Bin Xia and Fanyu Kong
Water 2026, 18(7), 784; https://doi.org/10.3390/w18070784 - 26 Mar 2026
Abstract
A high-speed magnetic pump rated at 7800 r/min was studied. A numerical model was established, and a hydraulic, vibration, and noise testing system was set up to conduct flow simulations, noise, and vibration experiments at different speeds. The results show that increasing speed [...] Read more.
A high-speed magnetic pump rated at 7800 r/min was studied. A numerical model was established, and a hydraulic, vibration, and noise testing system was set up to conduct flow simulations, noise, and vibration experiments at different speeds. The results show that increasing speed leads to a higher pressure difference between the pump chamber and the cooling circuit. Meanwhile, the turbulent kinetic energy at the impeller outlet increases. Despite an increase in energy loss, the loss ratio decreases, and overall efficiency improves. The internal flow noise collected by the outlet hydrophone mainly comes from Rotor–Stator Interference (RSI), and it can sensitively capture changes in rotational speed. The dominant frequency of the outlet noise agrees well with the blade frequency calculated from the set speed, with a maximum deviation of 0.26%. As the speed increases, the overall sound pressure level (OASPL) at the inlet and outlet and the Root Mean Square (RMS) acceleration values at the outlet and pump body generally increase, while the acceleration at the motor base shows a decreasing trend. The conclusions are helpful for the design and optimization of rotary machinery such as high-speed magnetic pumps. Full article
(This article belongs to the Section Hydraulics and Hydrodynamics)
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28 pages, 9613 KB  
Article
Numerical Study on Pore-Scale Flow Characteristics and Flame Front Morphology of Premixed Methane/Air Combustion in a Randomly Packed Bed
by Haiyang Wang, Yongfang Xia, Tingyong Fang, Huanyu Xu, Xiaohu Guan and Zhi Zhang
Processes 2026, 14(7), 1061; https://doi.org/10.3390/pr14071061 - 26 Mar 2026
Abstract
Porous medium combustion technology, renowned for high efficiency and low emissions, is widely applied in industrial and heating fields. This study numerically investigates pore-scale heat transfer, flame morphology, reaction rate distribution during standing combustion in a one-layer randomly packed bed, and flow parameter [...] Read more.
Porous medium combustion technology, renowned for high efficiency and low emissions, is widely applied in industrial and heating fields. This study numerically investigates pore-scale heat transfer, flame morphology, reaction rate distribution during standing combustion in a one-layer randomly packed bed, and flow parameter effects on flame behavior. A 3D randomly packed model (tube-to-particle diameter ratio D/d = 10) is developed using the discrete element method (DEM) and coupled with computational fluid dynamics (CFD) to resolve pore-scale transport processes. Results show that exothermic combustion converts internal energy to kinetic energy, significantly accelerating pore-scale flow velocity in the combustion zone. Increasing the equivalence ratio enhances flame stability, elevating solid–fluid temperatures by 200 K and expanding the combustion zone volume by 20%. The pore Reynolds number promotes inertial mixing and heat redistribution, limiting the solid–fluid temperature difference to 10 K. Local flames evolve from dispersed to wrinkled and undulating. These findings elucidate pore-scale combustion dynamics and guide packed-bed reactor design and optimization. Full article
(This article belongs to the Section Energy Systems)
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26 pages, 8352 KB  
Article
Efficient Leaching and Kinetic Analysis of Rare Earth Elements from Rare-Earth-Enriched Residues of Associated Rare Earth Phosphate Ores
by Jiawei Lin, Jue Kou, Chunbao Sun, Hongda Xu and Xiaojin Wen
Minerals 2026, 16(4), 351; https://doi.org/10.3390/min16040351 - 26 Mar 2026
Abstract
The efficient recovery of rare earth elements from associated rare-earth-bearing phosphate ores is of paramount importance for expanding the supply of rare earth resources. In contrast to conventional studies that focus on extracting rare earths either from phosphate concentrates or from phosphogypsum generated [...] Read more.
The efficient recovery of rare earth elements from associated rare-earth-bearing phosphate ores is of paramount importance for expanding the supply of rare earth resources. In contrast to conventional studies that focus on extracting rare earths either from phosphate concentrates or from phosphogypsum generated during the sulfuric acid wet-process, this study takes as its subject the rare-earth-enriched residue—an intermediate product obtained after the selective leaching of phosphorus via the hydrochloric acid route—from a rare-earth-bearing phosphate ore in Zhijin, Guizhou Province. The occurrence states, leaching behavior, and kinetic mechanisms of rare earth elements within this residue were systematically elucidated. Analyses using scanning electron microscopy coupled with energy-dispersive spectroscopy (SEM–EDS) and aberration-corrected scanning transmission electron microscopy (STEM) reveal that rare earth elements are hosted in residual fluorapatite and newly formed CaF2 through isomorphic substitution. The substitution of REE3+ for Ca2+ induces lattice contraction in CaF2, with the interplanar spacing decreasing from 0.27 nm to 0.26 nm. Through single-factor experiments and response surface methodology (RSM) optimization, the optimal leaching conditions were determined to be a temperature of 80 °C, a leaching time of 120 min, a hydrochloric acid dosage of 160% of the theoretical requirement, a solid–liquid ratio of 1:6, and a agitation speed of 500 r·min−1. Under these conditions, the leaching efficiency of rare earth elements reached as high as 92.69%. Kinetic analysis indicates that the leaching process follows the shrinking-core model, with the rate controlled by diffusion through the solid product layer. The apparent activation energy was calculated to be 37.2 kJ·mol−1, characteristic of a diffusion-controlled process. Furthermore, response surface analysis of variance confirms that leaching temperature and time are the most significant factors influencing rare earth leaching. This study elucidates, from multiple perspectives, the leaching mechanism of rare earth elements from enriched residues within a hydrochloric acid system, thereby providing important theoretical support for the efficient recovery and process optimization of rare earth resources from associated phosphate ores. Full article
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29 pages, 8738 KB  
Article
Integrated Modeling of the Kinetic Evolution of True Flotation and Entrainment Species: A Low-Cost Strategy for Grinding–Flotation Optimization
by Yordana Flores-Humerez, Luis A. Cisternas, Adolfo Fong, Lorena A. Cortés and Dongping Tao
Processes 2026, 14(7), 1063; https://doi.org/10.3390/pr14071063 - 26 Mar 2026
Abstract
Flotation circuits typically incorporate grinding stages, yet mathematical models for these processes often operate on different principles, leading to misalignment in circuit design. Building on a previously established grinding model for flotation performance, this research introduces significant advances to develop a more comprehensive [...] Read more.
Flotation circuits typically incorporate grinding stages, yet mathematical models for these processes often operate on different principles, leading to misalignment in circuit design. Building on a previously established grinding model for flotation performance, this research introduces significant advances to develop a more comprehensive and industrially relevant framework. The primary innovation is the integration of mechanical entrainment and gangue recovery into the kinetic model, distinguishing between species captured by true flotation and those carried to the surface despite being non-hydrophobic. We developed a robust set of grinding-mill equations based on first-order kinetics to describe the mass-fraction transformation of both true-flotation and entrainment species. To ensure practical applicability, a systematic experimental and modeling methodology for parameter adjustment is introduced, providing a clear sequence for identifying breakage rate constants and flotation kinetic parameters. The proposed strategy was validated using two distinct case studies: an expanded analysis of a copper sulfide ore (ore A) and a new case involving significant gangue entrainment (ore B). The results demonstrate that the model accurately predicts species kinetics, providing a high-fidelity, cost-effective tool to optimize mineral recovery and prevent economic losses from overgrinding in industrial processing plants. Full article
(This article belongs to the Special Issue Modeling in Mineral and Coal Processing)
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17 pages, 7622 KB  
Article
The Optimization of Non-Uniformity for Copper Electrodeposition with a Tertiary Current Distribution Numerical Model
by Cheng-Xuan Xiao, Chun-Gu Liu, Cao-Feng Chen, Ping-Feng Yang, Jen-Kuang Fang and Hou-Chien Chang
Electrochem 2026, 7(2), 7; https://doi.org/10.3390/electrochem7020007 - 26 Mar 2026
Abstract
This study investigates the non-uniformity (NU%) of copper deposition in a three-dimensional panel electroplating cell using COMSOL Multiphysics® 6.1 (COMSOL Inc., Burlington, MA, USA). To ensure the accuracy of the simulated current efficiency, the modeling was initially conducted on the [...] Read more.
This study investigates the non-uniformity (NU%) of copper deposition in a three-dimensional panel electroplating cell using COMSOL Multiphysics® 6.1 (COMSOL Inc., Burlington, MA, USA). To ensure the accuracy of the simulated current efficiency, the modeling was initially conducted on the electrodeposition of nanoscale metal wires (Nanowires, NWs) using the Finite Element Method (FEM) in COMSOL. After verifying that the simulation accurately reflected the current efficiency at the nanoscale, the model was scaled up to simulate full-sized panel-level electroplating. Various simulation conditions were explored, including two dimensional and three dimensional, electrode kinetics equations, electrolyte compositions, and current densities. The effects of these parameters on current efficiency and deposition uniformity were analyzed to develop a highly accurate COMSOL model. In terms of electrode kinetics, the study compares the advantages and limitations of secondary current distribution and tertiary current distribution models found in the previous literature, and evaluates their simulation results. Furthermore, to reflect the experimental condition where a pre-deposited copper seed layer was applied to reduce internal cathode resistance, the electrode shell physics module in COMSOL was implemented to simulate the potential distribution across the cathode surface. The results confirm that the numerical model using the tertiary current distribution provides more accurate predictions compared to the conventional secondary current distribution approach. Full article
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17 pages, 2801 KB  
Article
Ordered Mesoporous Carbon Modified with L-Arginine for Pb(II) Enrichment in Water Quality Control from Urban Roof Runoff
by Rafał Olchowski, Agnieszka Chałabis-Mazurek and Ryszard Dobrowolski
Materials 2026, 19(7), 1318; https://doi.org/10.3390/ma19071318 - 26 Mar 2026
Abstract
Hexagonally ordered mesoporous carbon was ozonized, and the oxidized carbonaceous material was modified with L-arginine. The ozonized and L-arginine-modified carbons were extensively characterized and tested as Pb(II) ion adsorbents, with optimization of Pb(II) solution pH, exposure time, Pb(II) ion concentration and the presence [...] Read more.
Hexagonally ordered mesoporous carbon was ozonized, and the oxidized carbonaceous material was modified with L-arginine. The ozonized and L-arginine-modified carbons were extensively characterized and tested as Pb(II) ion adsorbents, with optimization of Pb(II) solution pH, exposure time, Pb(II) ion concentration and the presence of concurrent ions. Pb(II) adsorption equilibrium was achieved within 5 min at optimal pH = 2.6 or 5.3 for the oxidized and L-arginine-modified carbonaceous materials, respectively. The adsorption kinetics of both investigated materials were best described by the pseudo-first-order model. The maximum adsorption capacity for Pb(II) ions was determined to be 16 mg g−1 (ozonized material) or 45 mg g−1 (L-arginine-modified material). The Langmuir model provided the best fit for the adsorption isotherm data. Fe(III) ions mostly hindered the Pb(II) adsorption (up to 60%) on the L-arginine-modified carbon material. L-arginine-modified carbon was used to enrich Pb(II) from simulated urban roof runoff and its determination using the slurry sampling high-resolution continuum-source graphite furnace atomic absorption spectrometry technique. The developed analytical procedure was characterized by a limit of quantification of 2.63 µg L−1, an enrichment factor of 50, and a recovery rate of 94.8%. Full article
(This article belongs to the Special Issue Adsorption Materials and Their Applications (3rd Edition))
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31 pages, 6152 KB  
Article
Enhanced Structural Decoupling and Spatiotemporal Evolution of Thermal–Mass Coupling in LaNi5-Based Solid-State Hydrogen Storage Reactors
by Tao Wu, Yayi Wang, Yuhang Liu, Yong Gao, Rengen Ding and Jian Miao
Materials 2026, 19(7), 1308; https://doi.org/10.3390/ma19071308 - 26 Mar 2026
Abstract
Hydrogen energy is pivotal to the global energy transition, and the development of high-efficiency, safe hydrogen storage technologies constitutes a prerequisite for its large-scale commercialization. Kinetic bottlenecks including slow reactions, delayed front propagation, and marked spatial heterogeneity driven by strong thermal–mass transfer coupling [...] Read more.
Hydrogen energy is pivotal to the global energy transition, and the development of high-efficiency, safe hydrogen storage technologies constitutes a prerequisite for its large-scale commercialization. Kinetic bottlenecks including slow reactions, delayed front propagation, and marked spatial heterogeneity driven by strong thermal–mass transfer coupling restrict the engineering application of solid-state metal hydrides. However, the current research mainly focusing on overall performance lacks a systematic understanding of the spatiotemporal evolution mechanisms and their intrinsic links to internal structural control. In this work, a 3D multiphysics model of a LaNi5-based reactor is developed to systematically elucidate spatiotemporal evolution patterns, facilitating the proposal of a structural decoupling framework based on synergistic thermal–mass resistance reconfiguration. Both absorption and desorption show distinct three-stage evolution, shifting from kinetic dominance to transfer limitation: absorption causes core self-inhibition via heat-hydrogen supply mismatch, leading to much lower core than surface storage capacity; desorption results in significant inner-layer lag due to endothermic cooling-driven pressure drops. Thermal–mass coupling-induced inverted spatiotemporal evolution is identified as the root cause of spatial heterogeneity. Quantitative comparison of straight-pipe, spiral-tube, and honeycomb structures reveals that internal architectures achieve effective thermal–mass decoupling through expanded heat-exchange areas, reconstructed diffusion pathways, and optimized heat source distribution. Notably, the honeycomb structure with a parallel micro-unit network achieves 89.1% and 86.6% reductions in absorption and desorption times, respectively, showing superior dynamic performance and field uniformity. This study provides a theoretical basis for the mechanism-driven design and synergistic performance optimization of high-efficiency solid-state hydrogen storage reactors. Full article
(This article belongs to the Section Energy Materials)
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