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Implementation and validation of a bonded particle model to predict rheological properties of viscoelastic materials

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Particuology 2024年第6期89卷 198-210页

作者： Michael Mascara Arno Mayrhofer Stefan Radl Christoph Kloss institute of process and particle engineering Graz University of TechnologyInffeldgasse 13Graz8010Austria DCS Computing GmbH Industriezeile 35Linz4020Austria

This work focuses on implementing a particle-based method able to characterize viscoelastic materials whose rheological properties,such as storage modulus G′and loss modulus G″,are *** is based on the bonded particle model,with the elastic constitutive relation here substituted with a viscoelastic one to capture time-scale *** Burgers model,vastly used in literature to model viscoelastic systems,is discretized and *** test case used for calibration comprises of a cubic lattice,sheared with a periodic motion,to mimic the effect of a shear *** appropriate filtering of the stress response,the rheological properties are obtained,highlighting the effect of the lattice geometry,as well as the particle size,on the accuracy of the ***,the Burgers parameters are calibrated by analytically fitting the experimental dataset,showing the limitation of the Burgers *** micro-contact parameters are obtained from the macro parameters through appropriate *** completing a frequency sweep,the simulated G′and G″show a relatively large error,around 25%for G’for *** this reason,a more robust model,namely the generalized Maxwell model,has been *** calibration procedure is performed in the same fashion as for the Burgers ***,the tangential micro-contact parameters are scaled *** normal *** scaling parameter,calledα,is calibrated by minimizing the root mean square error between simulation and experimental data,giving errors below 10%in both G′and G″for a large ***,a full ring plate-plate rheometer setup is simulated,and the simulation is compared with the given experimental dataset,again finding a good agreement.

关键词： DEM Rheology Numerical modeling Viscoelasticity

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Integrated high-performance and accurate shaping technology of low-cost powder metallurgy titanium alloys: A comprehensive review

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International Journal of Minerals,Metallurgy and Materials 2024年第3期31卷 413-426页

作者： Xuemeng Gan Shaofu Li Shunyuan Xiao Yafeng Yang State Key Laboratory of Mesoscience and engineering Institute of Process EngineeringChinese Academy of SciencesBeijing 100190China University of Chinese Academy of Sciences Beijing 100049China Key Laboratory of Science and technology on particle Materials Chinese Academy of SciencesBeijing 100190China

The practical engineering applications of powder metallurgy (PM) Ti alloys produced through cold compaction and pressure-less sintering are impeded by poor sintering densification, embrittlement caused by excessive O impurities, and severe sintering deforma-tion resulting from the use of heterogeneous powder mixtures. This review presents a summary of our previous work on addressing the above challenges. Initially, we proposed a novel strategy using reaction-induced liquid phases to enhance sintering densification. Near- complete density (relative density exceeding 99%) was achieved by applying the above strategy and newly developed sintering aids. By focusing on the O-induced embrittlement issue, we determined the onset dissolution temperature of oxide films in the Ti matrix. On the basis of this finding, we established a design criterion for effective O scavengers that require reaction with oxide films before their dissol-ution. Consequently, a ductile PM Ti alloy was successfully obtained by introducing 0.3wt% NdB6 as the O scavenger. Lastly, a powder- coating strategy was adopted to address the sintering deformation issue. The ultrafine size and shell-like distribution characteristics of coating particles ensured rapid dissolution and homogeneity in the Ti matrix, thereby facilitating linear shrinkage during sintering. As a result, geometrically complex Ti alloy parts with high dimensional accuracy were fabricated by using the coated powder. Our fundament-al findings and related technical achievements enabled the development of an integrated production technology for the high-performance and accurate shaping of low-cost PM Ti alloys. Additionally, the primary engineering applications and progress in the industrialization practice of our developed technology are introduced in this review.

关键词： powder metallurgy titanium sintering densification oxygen scavenging accurate shaping

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Multi-level coarse-grained discrete element method modeling of cylinder particle flow in a rotating drum

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Particuology 2024年第5期88卷 218-238页

作者： Lei Xu Xiukai Wu Shuai Wang Shiyi Bao institute of process Equipment and Control engineering Zhejiang University of TechnologyHangzhou 310023China engineering Research Center of process Equipment and Remanufacturing Ministry of EducationZhejiang University of TechnologyHangzhou 310023China College of Mechanical engineering Zhejiang University of TechnologyHangzhou 310023China State Key Laboratory of Clean Energy Utilization Zhejiang UniversityHangzhou 310027China

The coarse-grained discrete element method(DEM)is probably a feasible option for simulating an actual drum-type biomass boiler,which contains over 10 million cylinder particles.A multi-level study was conducted based on particle and coarse-grained level data to evaluate the adequacy of the coarse-grained approach in terms of geometrical characteristics,kinematic features,and dynamic *** scaling laws for contact parameters were used and compared during the *** results show that the coarse-grained approach can accurately predict the positions of the free surface and active-passive interface,the mixing index,and the orientation *** in the velocity fields may occur due to the worse flowability of coarse-grained particles near the free *** efficiency is significantly improved by the coarse-grained model compared with the corresponding original case(the same DEM code without a coarse-grained model was used for the original simulations).

关键词： Coarse-grained method Discrete element method(DEM) Cylinder particle Rotating drum Granular flow

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Alternative technology for the recovery of butyl acetate with low concentration:high capacity adsorbent and high efficiency adsorption

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Green Chemical engineering 2024年第2期5卷 236-244页

作者： Chi Ma Lihong Zhao Zhengxin Mao Hao Su Qingfen Liu CAS Key Laboratory of Green process and engineering Institute of Process EngineeringChinese Academy of SciencesBeijing100190China School of Chemical engineering University of Chinese Academy of SciencesBeijing100049China

Industrial pharmaceutical wastewater usually contains butyl acetate(BA)with a concentration of 1 wt%-7 wt%,and the traditional method for BA recovery is distillation with high energy *** method is developed to recover BA with low concentration for the high efficiency and low energy *** polar polyacrylate resins with macroporous structure of 233.1 nm and average particle size of about 526.5μm are successfully synthesized by suspension polymerization and used for the BA adsorption and *** maximum adsorption capacity reaches 171.1 mg g^(-1)with relative standard deviation(RSD)value of 0.2%,which is more than twice the results in the *** BA desorption rate is 97.0%at 100℃with RSD value of 0.4%,and the resins are beneficial to the reuse in the adsorption-desorption *** adsorption thermodynamics and kinetics are investigated,and the BA adsorption is a spontaneous and endothermic process with the increase of disorder *** process is mainly contributed by physical absorption and agree well with Freundlich model and pseudo-first-order adsorption kinetic *** adsorption method avoids boiling a large amount of wastewater and hopefully provides a novel alternative technology for the BA recovery.

关键词： Butyl acetate recovery Resin adsorption Desorption Thermodynamics Kinetics

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Elasto-inertial focusing and particle migration in high aspect ratio microchannels for highthroughput separation

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Microsystems & Nanoengineering 2024年第3期10卷 381-394页

作者： Selim Tanriverdi Javier Cruz Shahriar Habibi Kasra Amini Martim Costa Fredrik Lundell Gustaf Mårtensson Luca Brandt Outi Tammisola Aman Russom Division of Nanobiotechnology Department of Protein ScienceScience for Life LaboratoryKTH Royal Institute of TechnologySolna 17165Sweden Division of Microsystems technology Department of Materials Science and EngineeringUppsala UniversityUppsala 75237Sweden FLOW and SeRC(Swedish e-Science Research Centre) Department of Engineering MechanicsRoyal Institute of TechnologyStockholm SE 10044Sweden FLOW and Fluid Physics Laboratory Department of Engineering MechanicsRoyal Institute of TechnologyStockholmSweden Wallenberg Wood Science Center Royal Institute of TechnologyStockholm SE 10044Sweden Department of Energy and process engineering Norwegian University of Science and Technology(NTNU)TrondheimNorway AIMES Center for the Advancement of Integrated Medical and engineering Sciences at Karolinska institutet and KTH Royal institute of technology StockholmSweden

The combination of flow elasticity and inertia has emerged as a viable tool for focusing and manipulating particles using *** there is considerable interest in the field of elasto-inertial microfluidics owing to its potential applications,research on particle focusing has been mostly limited to low Reynolds numbers(Reparticle migration toward equilibrium positions has not been extensively *** this work,we thoroughly studied particle focusing on the dynamic range of flow rates and particle migration using straight microchannels with a single inlet high aspect *** initially explored several parameters that had an impact on particle focusing,such as the particle size,channel dimensions,concentration of viscoelastic fluid,and flow *** experimental work covered a wide range of dimensionless numbers(0.05particle size played a dominant role,and by tuning the parameters,particle focusing could be achieved at Reynolds numbers ranging from 0.2(1μL/min)to 85(250μL/min).Furthermore,we numerically and experimentally studied particle migration and reported differential particle migration for high-resolution separations of 5μm,7μm and 10μm particles in a sheathless flow at a throughput of 150μL/*** work elucidates the complex particle transport in elasto-inertial flows and has great potential for the development of high-throughput and high-resolution particle separation for biomedical and environmental applications.

关键词： particle separation straight

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Energy budget of cold and hot gas-solid fluidized beds through CFD-DEM simulations

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Particuology 2024年第6期89卷 153-171页

作者： Lei Bi Yunpeng Jiao Chunjiang Liu Jianhua Chen Wei Ge School of Chemical engineering and technology Tianjin UniversityTianjin 300072China State Key Laboratory of Multiphase Complex Systems Institute of Process EngineeringChinese Academy of SciencesBeijing100190China School of Chemical engineering University of Chinese Academy of SciencesBeijing 100049China

Direct energy budget is carried out for both cold and hot flow in gas–solid fluidization ***,the energy paths are proposed from thermodynamic *** consumption means total power input to the specific system,and it can be decomposed into energy retention and energy *** retention is the variation of accumulated mechanical energy in the system,and energy dissipation is the energy converted to heat by irreversible *** based on the Computational Fluid Dynamics-Discrete Element Method(CFD-DEM)framework,different energy terms are quantified from the specific flow elements of fluid cells and particles as well as their interactions with the *** order to clarify the energy budget,it is important to identify which system is studied:the particle-fluid system or the particle *** the cold flow,the total energy consumption of the particle sub-system can well indicate the onset of bubbling and turbulent,while the variation of local energy consumption terms can reflect the evolution of heterogeneous *** the hot flow,different heat transfer mechanisms are analyzed and the solver is modified to reproduce the experimental *** impact of the heat transfer mechanisms and heat production on energy consumption is also *** proposed budget method has proven to be energy-conservative and easy to conduct,and it is hopeful to be applied to other multiphase flow systems.

关键词： Energy budget Gas-solid fluidization CFD-DEM Regime transition Heat transfer mechanism

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A stepwise approach to enhancing flotation of low-grade zinnwaldite through the cationic/DL-2-octanol/anionic reagent combinations: Behavior and mechanism analysis

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International Journal of Mining Science and technology 2024年第6期34卷 881-891页

作者： Zhonghua Xue Yali Feng Haoran Li Jinrong Ju Xingquan Dua School of Civil and Resource engineering University of Science and Technology BeijingBeijing 100083China Key Laboratory of Biochemical engineering Institute of Process EngineeringChinese Academy of SciencesBeijing 100190China University of Chinese Academy of Sciences Beijing 100049China

In order to alleviate the pressure on the supply of lithium resources,this research proposes the use of binary/ternary collectors with high selectivity and collecting ability to enhance the flotation purification of low-grade zinnwaldite *** binary collector is a mixture of dodecylamine polyoxyethylene ether and DL-2-octanol.A binary collector is added first,followed by sodium oleate,known as a ternary *** acidic conditions,the recovery of Li2O in the concentrate was increased by 8.26%with the binary collector and 13.70%with the ternary collector,compared to the dodecylamine polyoxyethylene *** binary collector enhanced the dispersibility of the single collector,while co-adsorption strengthened the hydrophobic nature of the zinnwaldite ***,zinnwaldite particles,after the application of binary collector,displayed inter-particle flocculation and attachment to bubbles within 60109 m compared to other *** collector exhibited the capacity to lower critical micelle concentration and surface tension,subsequently inducing a denser and thicker hydrophobic layer through electrostatic forces,hydrophobic interactions,and chemical *** objective of this research is to facilitate the recovery of lithium resources from low-grade ores in order to meet the needs of sustainable development.

关键词： Zinnwaldite Molecular dynamics simulation Flotation Ternary collector Extended DLVO theory

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Gas–solid reactor optimization based on EMMS-DPM simulation and machine learning

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Particuology 2024年第6期89卷 131-143页

作者： Haolei Zhang Aiqi Zhu Ji Xu Wei Ge State Key Laboratory of Mesoscience and engineering Institute of Process EngineeringChinese Academy of SciencesBeijing 100190China State Key Laboratory of Multiphase Complex Systems Institute of Process EngineeringChinese Academy of SciencesBeijing 100190China School of Chemical engineering University of Chinese Academy of SciencesBeijing 100049China Innovation Academy for Green Manufacture Chinese Academy of SciencesBeijing 100190China

Design,scaling-up,and optimization of industrial reactors mainly depend on step-by-step experiments and engineering experience,which is usually time-consuming,high cost,and high *** numerical simulation can reproduce high resolution details of hydrodynamics,thermal transfer,and reaction process in reactors,it is still challenging for industrial reactors due to huge computational *** this study,by combining the numerical simulation and artificial intelligence(AI)technology of machine learning(ML),a method is proposed to efficiently predict and optimize the performance of industrial reactors.A gas–solid fluidization reactor for the methanol to olefins process is taken as an example.1500 cases under different conditions are simulated by the coarse-grain discrete particle method based on the Energy-Minimization Multi-Scale model,and thus,the reactor performance data set is *** develop an efficient reactor performance prediction model influenced by multiple factors,the ML method is established including the ensemble learning strategy and automatic hyperparameter optimization technique,which has better performance than the methods based on the artificial neural ***,the operating conditions for highest yield of ethylene and propylene or lowest pressure drop are searched with the particle swarm optimization algorithm due to its strength to solve non-linear optimization *** show that decreasing the methanol inflow rate and increasing the catalyst inventory can maximize the yield,while decreasing methanol the inflow rate and reducing the catalyst inventory can minimize the pressure *** two objectives are thus conflicting,and the practical operations need to be compromised under different circumstance.

关键词： Discrete particle method Artificial intelligence Machine learning particle swarm optimization Industrial reactor optimization

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Pickering emulsion transport in skeletal muscle tissue:A dissipative particle dynamics simulation approach

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Chinese Journal of Chemical engineering 2024年第4期68卷 65-75页

作者： Xuwei Liu Wei Chen Yufei Xia Guanghui Ma Reiji Noda Wei Ge State Key Laboratory of Mesoscience and engineering Institute of Process EngineeringChinese Academy of SciencesBeijing 100190China Division of Environmental engineering Science Graduate School of Science and TechnologyGunma University1-5-1 Tenjin-choKiryuGunma 376-8515Japan State Key Laboratory of Biochemical engineering Institute of Process EngineeringChinese Academy of SciencesBeijing 100190China School of Chemical engineering University of Chinese Academy of SciencesBeijing 100049China Innovation Academy for Green Manufacture Chinese Academy of SciencesBeijing 100190China

Lymph node targeting is a commonly used strategy for particulate vaccines,particularly for Pickering ***,extensive research on the internal delivery mechanisms of these emulsions,especially the complex intercellular interactions of deformable Pickering emulsions,has been surprisingly *** gap in knowledge holds significant potential for enhancing vaccine *** study aims to address this by summarizing the process of lymph-node-targeting transport and introducing a dissipative particle dynamics simulation method to evaluate the dynamic processes within cell *** transport of Pickering emulsions in skeletal muscle tissue is specifically investigated as a case *** factors impacting the transport process are explored,including local cellular tissue environmental factors and the properties of the Pickering emulsion *** simulation results primarily demonstrate that an increase in radial repulsive interaction between emulsion particles can decrease the transport ***,larger intercellular gaps also diminish the transport efficiency of emulsion droplet particles due to the increased motion complexity within the intricate transport space compared to a single *** study sheds light on the nuanced interplay between engineered and biological systems influencing the transport dynamics of Pickering *** insights hold valuable potential for optimizing transport processes in practical biomedical applications such as drug ***,the desired transport efficiency varies depending on the specific *** instance,while a more rapid transport might be crucial for lymph-node-targeted drug delivery,certain applications requiring a slower release of active components could benefit from the reduced transport efficiency observed with increased particle repulsion or larger intercellular gaps.

关键词： Pickering emulsion Skeletal muscular cells Transport phenomena Dissipative particle dynamics Drug delivery

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Microscale spherical TiO_(2)powder prepared by hydrolysis of TiCl_(4)solution:Synthesis and kinetics

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Particuology 2024年第1期84卷 60-71页

作者： Peiyi Yan Ying Zhang Shili Zheng School of Rare Earths University of Science and Technology of ChinaHefei230026China Ganjiang Innovation Academy Chinese Academy of SciencesGanzhou341119China Key Laboratory of Green process and engineering National Engineering Research Center of Green Recycling for Strategic Metal ResourcesInstitute of Process EngineeringChinese Academy of SciencesBeijing100190China State Key Laboratory of Vanadium and Titanium Resources Comprehensive Utilization Panzhihua617000China

Hydrolysis of TiCl_(4)solution is capable of preparing microscale TiO_(2)*** research studied the synthesis of microscale spherical TiO_(2)powders and the hydrolysis *** effects of the flow field generated by different agitators and baffles in the crystallizer,the initial free acid concentration,the initial equivalent TiO_(2)concentration,and the temperature on the hydrolysis progress and powder morphology were systematically *** results show that the flow field in a crystallizer can significantly affect the morphology and particle size of the powders,and the axial flow can improve the sphericity of the *** increased free HCl and equivalent TiO_(2)concentrations in the pregnant solution inhibit the forward hydrolysis reaction,prolong the time to reach equilibrium,and reduce the *** appropriate temperature matching the compositions of the pregnant solution is crucial for the powder morphology and *** with sizes ranging from around 5 um-40μm can be tuned under controlled flow field,solution compositions,and temperature *** addition,the Cheng and Wunderlich modified Avrami equation was used for the crystallization kinetic *** effects of the free HCl concentration,equivalent TiO_(2)concentration,and hydrolysis temperature are reflected in the reaction rate constant and active nuclei reduction *** the free HCl and equivalent TiO_(2)concentrations will reduce the reaction rate constant and accelerate the deactivation of the active nuclei,thus increasing the final powder size,while increasing the temperature will lead to the opposite results.

关键词： TiCl_(4) Hydrolysis Microscale TiO_(2) Spherical Kinetics

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