ORCID Profile
0000-0002-5139-0657
Current Organisations
JITRI Research Institute for Process Modelling and Optimisation
,
Monash University
,
ARC Research Hub for Computational Particle Technology
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Publications
Hybrid fundamental-solution-based FEM for piezoelectric materials
Publisher: Springer Science and Business Media LLC
Date: 24-01-2012
Formation of three-dimensional hierarchical pompon-like cobalt phosphide hollow microspheres for asymmetric supercapacitor with improved energy density
Publisher: Elsevier BV
Date: 03-2019
CFD–DEM simulation of the gas–solid flow in a cyclone separator
Publisher: Elsevier BV
Date: 03-2011
Numerical Investigation of Crater Phenomena in a Particle Stream Impact onto a Granular Bed
Publisher: Springer Science and Business Media LLC
Date: 14-06-2006
Discrete particle simulation of particle flow and separation on a vibrating screen: Effect of aperture shape
Publisher: Elsevier BV
Date: 06-2017
Modeling of Internal State and Performance of an Ironmaking Blast Furnace: Slot vs Sector Geometries
Publisher: Springer Science and Business Media LLC
Date: 23-12-2016
Modelling the injection of upgraded brown coals in an ironmaking blast furnace
Publisher: Elsevier BV
Date: 06-2017
Preparation of high density ZnO ceramics by the Cold Sintering Process
Publisher: Elsevier BV
Date: 10-2019
Discrete particle simulation of solid flow in a three-dimensional blast furnace sector model
Publisher: Elsevier BV
Date: 10-2015
Self-diffusion of wet particles in rotating drums
Publisher: AIP Publishing
Date: 06-2013
DOI: 10.1063/1.4807596
Abstract: Axial mixing of wet particles in rotating drums was investigated by the discrete element method with the capillary force explicitly considered. Different flow regimes were observed by varying the surface tension of liquid and keeping other conditions unchanged. The analysis of the concentration and mean square displacement of particles indicated that the axial motion of wet particles was a diffusive process characterised by Fick's law. Particle diffusivity decreased with increasing inter-particle cohesion and drum filling level but increased with increasing drum rotation speed. Two competing mechanisms were proposed to explain these effects. A theoretical model based on the relation between local diffusivity and shear rate was developed to predict particle diffusivity as a function of drum operation conditions. It was also observed that despite the high inhomogeneity of particle flow in rotating drums, the mean diffusivity of flow exhibited a strong correlation with granular temperature, defined as the mean square fluctuating velocity of particles.
An experimental and numerical study of the angle of repose of coarse spheres
Publisher: Elsevier BV
Date: 05-2002
Holey Assembly of Two‐Dimensional Iron‐Doped Nickel‐Cobalt Layered Double Hydroxide Nanosheets for Energy Conversion Application
Publisher: Wiley
Date: 08-08-2019
Abstract: Layered double hydroxides (LDHs) containing first-row transition metals such as Fe, Co, and Ni have attracted significant interest for electrocatalysis owing to their abundance and excellent performance for the oxygen evolution reaction (OER) in alkaline media. Herein, the assembly of holey iron-doped nickel-cobalt layered double hydroxide (NiCo-LDH) nanosheets ('holey nanosheets') is demonstrated by employing uniform Ni-Co glycerate spheres as self-templates. Iron doping was found to increase the rate of hydrolysis of Ni-Co glycerate spheres and induce the formation of a holey interconnected sheet-like structure with small pores (1-10 nm) and a high specific surface area (279 m
Correction: Advances on tungsten oxide based photochromic materials: strategies to improve their photochromic properties
Publisher: Royal Society of Chemistry (RSC)
Date: 2019
DOI: 10.1039/C9TC90160D
Abstract: Correction for ‘Advances on tungsten oxide based photochromic materials: strategies to improve their photochromic properties’ by Shufen Wang et al. , J. Mater. Chem. C , 2018, 6 , 191–212.
Radical tessellation of the packing of spheres with a log-normal size distribution
Publisher: American Physical Society (APS)
Date: 02-09-2015
Hydrothermal synthesis of ternary α-Fe2O3–ZnO–Au nanocomposites with high gas-sensing performance
Publisher: Elsevier BV
Date: 03-2015
Supercapacitive performance of nitrogen doped porous carbon based material for supercapacitor application
Publisher: Springer Science and Business Media LLC
Date: 28-10-2020
Quantification of the Interface Interactions in Polymer Nanocomposites
Publisher: Trans Tech Publications, Ltd.
Date: 06-2010
DOI: 10.4028/WWW.SCIENTIFIC.NET/MSF.654-656.2608
Abstract: Interfaces are important for many properties and applications of multiphase materials. This is particular true for particle-reinforced polymer composites, where the interfacial characteristics between particle and polymer play a crucial role in load transfer and mechanical properties. In polymer nanocomposites, the adhesion strength between particle and polymer matrix is a major factor in determining their mechanical properties. In this work, we present our recent study towards the quantification of the interaction strength at the interface of clay-based polymer nanocomposites by molecular dynamics simulation.
Structural evolution in the packing of uniform spheres
Publisher: American Physical Society (APS)
Date: 05-03-2014
Flame‐Synthesized Ceria‐Supported Copper Dimers for Preferential Oxidation of CO
Publisher: Wiley
Date: 02-02-2009
A three-dimensional numerical study of the combustion of coal blends in blast furnace
Publisher: Elsevier BV
Date: 02-2009
Experimental study on mixing behaviors of wet particles in a bubbling fluidized bed
Publisher: Elsevier BV
Date: 12-2018
Modelling in-furnace phenomena of pulverized coal injection in ironmaking blast furnace: Effect of coke bed porosities
Publisher: Elsevier BV
Date: 06-2012
Effect of the Vortex Formed by the Electrohydrodynamic Flow on the Motion of Particles in a Needle-plate Electrostatic Precipitator
Publisher: Taiwan Association for Aerosol Research
Date: 2020
Numerical study on inlet operational conditions in the outside vapor deposition process
Publisher: Elsevier BV
Date: 10-2022
Effect of the size of media on grinding performance in stirred mills
Publisher: Elsevier BV
Date: 06-2012
Numerical simulation of the particle flow and sieving behaviour on sieve bend/low head screen combination
Publisher: Elsevier BV
Date: 05-2012
Glycothermal synthesis of assembled vanadium oxide nanostructures for gas sensing
Publisher: Springer Science and Business Media LLC
Date: 09-05-2012
Characterization of interparticle forces in the packing of cohesive fine particles
Publisher: American Physical Society (APS)
Date: 05-09-2008
Recent Advances in Nanostructured Vanadium Oxides and Composites for Energy Conversion
Publisher: Wiley
Date: 22-08-2017
Effect of packing method on the randomness of disc packings
Publisher: IOP Publishing
Date: 07-06-1996
Numerical modeling and analysis of hydrogen blast furnace ironmaking process
Publisher: Elsevier BV
Date: 09-2022
Discrete particle simulation of gas-solid flow in a blast furnace
Publisher: Elsevier BV
Date: 08-2008
Segregation of binary mixture of particles in a bladed mixer
Publisher: Wiley
Date: 02-2003
DOI: 10.1002/JCTB.731
Abstract: This paper presents a numerical study of the flow and segregation of particles over flat blades in a vertical cylindrical mixer by means of a modified discrete element method. Simulations are conducted using a binary mixture of spheres, where the blade's rotating speed, particle size, volume fraction and particle density are the variables considered. Similar flow features are found for all the cases considered: particles rise to form a heap in front of a blade and then either flow downward on the bed surface over the blade or to the base of the heap to rejoin the flow toward the blade, and there is a recirculating zone in front of the blade. However, different types of mixing behaviour can be observed. Particles with large size or light density are mainly in the top layer of the mixing bed, while small and heavy particles remain in the bottom of the mixing bed and in front of the blades. The segregation pattern resulting from size difference is not the same as that resulting from density difference. The force evolution in these two binary systems also differs, although at the initial stage large/light particles always receive a relatively larger vertical force than small/heavy particles, leading to segregation that can be maintained at the later stage. Decreasing the size or density difference promotes the mixing performance. Changing the blade speed affects the mixing kinetics but not the mixing quality. © 2003 Society of Chemical Industry
Microdynamic modelling and analysis of the mixing and segregation of binary mixtures of particles in gas fluidization
Publisher: Elsevier BV
Date: 2007
Synthesis and sintering of tin-doped indium oxide nanoparticles with uniform size
Publisher: Elsevier BV
Date: 08-2007
CsxWO3 nanosheet-coated cotton fabric with multiple functions: UV/NIR shielding and full-spectrum-responsive self-cleaning
Publisher: Elsevier BV
Date: 05-2019
DEM study of the flow of cohesive particles in a screw feeder
Publisher: Elsevier BV
Date: 04-2014
CFD-DEM study of the effects of food grain properties on drying and shrinkage in a fluidised bed
Publisher: Elsevier BV
Date: 2020
Large-surface mesoporous TiO2 nanoparticles: Synthesis, growth and photocatalytic performance
Publisher: Elsevier BV
Date: 12-2012
DOI: 10.1016/J.JCIS.2012.06.080
Abstract: This study demonstrates a facile and effective method to generate mono-dispersed titanium dioxide spheres at ambient conditions. The size of the colloids can be controlled from 60 to 500 nm by optimizing experimental parameters (e.g., concentration, time, and temperature). Anatase TiO(2) can be obtained through titanium glycolate colloids generated in acetone via two ways: water boiling approach and calcination at a high temperature of 500°C. Particle characteristics (shape, size, and size distribution) were measured by advanced techniques, including transmission electron microscope (TEM), thermo-gravimetric analysis (TGA), UV/Vis absorption spectrum, nitrogen gas adsorption and desorption isotherms Brunauer-Emmett-Teller (BET) surface area measurement, and X-ray diffraction technique (XRD). The possible mechanism of nucleation and growth of such colloids was discussed. The role of acetone in the formation and growth of titanium glycolate colloids was also investigated by Fourier transform infrared (FT-IR) spectroscopy. Finally, the photocatalysis performance of such anatase TiO(2) particles was tested and proved to be efficient in degradation of organic dyes (e.g., phenolphthalein and methly orange).
Simulated and measured flow of granules in a bladed mixer - a detailed comparison
Publisher: Elsevier BV
Date: 10-2001
Modeling the Gas-solid Flow in the Reduction Shaft of COREX
Publisher: Iron and Steel Institute of Japan
Date: 2014
Twinned Structure and Growth of V-Shaped Silver Nanowires Generated by a Polyol-Thermal Approach
Publisher: American Chemical Society (ACS)
Date: 18-01-2011
DOI: 10.1021/JP110538G
Gas-powder flow and powder accumulation in a packed bed: II: Numerical study
Publisher: Elsevier BV
Date: 11-2004
Particulate Immersed Boundary Method for complex fluid–particle interaction problems with heat transfer
Publisher: Elsevier BV
Date: 2016
DEM-based virtual experimental blast furnace: A quasi-steady state model
Publisher: Elsevier BV
Date: 06-2017
Wall stress analysis in an unsteady hopper flow with ellipsoidal particles
Publisher: Elsevier BV
Date: 02-2020
Modeling the Multiphase Flow in a Dense Medium Cyclone
Publisher: American Chemical Society (ACS)
Date: 13-02-2009
DOI: 10.1021/IE801175C
Combined effects of particle shape, incident angle and porosity on momentum and heat transfer between spheroids and fluids
Publisher: Elsevier BV
Date: 11-2022
DEM study of the transverse mixing of wet particles in rotating drums
Publisher: Elsevier BV
Date: 02-2013
Investigation of heat transfer in bubbling fluidization with an immersed tube
Publisher: AIP
Date: 2010
DOI: 10.1063/1.3366390
Decomposition of Limestone in Hot Metal at 1300 degrees C
Publisher: Wiley
Date: 26-05-2016
Gas-powder flow and powder accumulation in a packed bed: I. Experimental study
Publisher: Elsevier BV
Date: 11-2004
Effect of cation intercalation on the growth of hexagonal WO 3 nanorods
Publisher: American Chemical Society (ACS)
Date: 17-05-2012
DOI: 10.1021/JP301210Q
Numerical and experimental investigation of an “S-shaped” circulating fluidized bed
Publisher: Elsevier BV
Date: 03-2014
Optimization of formulation and atomization of lipid nanoparticles for the inhalation of mRNA
Publisher: Elsevier BV
Date: 06-2023
A Model to Simulate Titanium Behavior in the Iron Blast Furnace Hearth
Publisher: Springer Science and Business Media LLC
Date: 25-05-2010
Modelling the granular flow in a rotating drum by the Eulerian finite element method
Publisher: Elsevier BV
Date: 12-2015
Synthesis of Au decorated V2O5 microflowers with enhanced sensing properties towards amines
Publisher: Elsevier BV
Date: 11-2018
Simulation of the electric field in wire-plate type electrostatic precipitators
Publisher: Elsevier BV
Date: 08-2014
One-Step Approach for the Synthesis and Self-Assembly of Silver Nanoparticles
Publisher: American Scientific Publishers
Date: 11-2010
Abstract: This study demonstrates a facile approach for one-step synthesis and self-assembly of silver nanoparticles at ambient conditions. It was found that pyrogallol acid (PYA) can play multiple roles in the proposed synthesis, including a reducing agent, a stabilizer, and a linking agent for assembly. Silver ions can be readily reduced by PYA at room temperature due to its powerful reducing capability. The capability in shape and size control can be evidenced by TEM images. A third function of PYA in this case is to link the generated silver particles into chains through the action of hydrogen bonding, which leads to a new plasmon resonance emerges in the longer wavelength region centered at approximately 650 nm. These results may be useful for shape-controlled synthesis and self-assembly of other metallic nanoparticles. The self-assembly structures would be imposed more functional applications in the areas of optics, plasmonics, biomedicine labeling and ionic sensing.
Systematic study of the effect of particle density distribution on the flow and performance of a dense medium cyclone
Publisher: Elsevier BV
Date: 06-2017
Numerical study of the gas–liquid–solid flow in hydrocyclones with different configuration of vortex finder
Publisher: Elsevier BV
Date: 2008
The preparation of high-density aluminum-doped zinc oxide ceramics by cold sintering process
Publisher: Elsevier BV
Date: 08-2020
Computational analysis and optimization of hydrocyclone size to mitigate adverse effect of particle density
Publisher: Elsevier BV
Date: 03-2017
Discrete Particle Simulation of Particle Flow in a Stirred Mill: Effect of Mill Properties and Geometry
Publisher: American Chemical Society (ACS)
Date: 14-12-2012
DOI: 10.1021/IE2018977
Modeling of Thermochemical Behavior in an Industrial-Scale Rotary Hearth Furnace for Metallurgical Dust Recycling
Publisher: Springer Science and Business Media LLC
Date: 26-07-2017
Discrete particle simulation of particle flow in IsaMill - Effect of grinding medium properties
Publisher: Elsevier BV
Date: 2008
CFD-DEM study of the aerosolisation mechanism of carrier-based formulations with high drug loadings
Publisher: Elsevier BV
Date: 06-2017
Modeling of Particle Flow and Sieving Behavior on a Vibrating Screen: From Discrete Particle Simulation to Process Performance Prediction
Publisher: American Chemical Society (ACS)
Date: 28-03-2013
DOI: 10.1021/IE3034637
Powder Processing: Models and Simulations
Publisher: Elsevier
Date: 2005
Impact angles as an alternative way to improve aerosolisation of powders for inhalation?
Publisher: Elsevier BV
Date: 10-2010
DOI: 10.1016/J.EJPS.2010.06.021
Abstract: This study aims to investigate the role of impact angles on the de-agglomeration performance of powders for inhalation. Agglomerates of a model drug mannitol were impacted at customized impaction throats containing two angles (15-75 degrees and 45-45 degrees) or a single angle (15 degrees, 45 degrees and 90 degrees) using various air flow rates. The mass fraction of fine particles <5microm in the aerosol (FPF(Loaded)) was measured by a liquid impinger coupled to a laser diffractometer. Results showed that for the two-angle throats, there existed an optimal angle (45 degrees) and air flow (120lmin(-1)) for the FPF(Loaded), resulting from a balance between improved de-agglomeration and enhanced throat deposition with increasing air flow. When the throat contained two equal angles of 45 degrees , most powder deposition occurred at the first angle, indicating that the first angle was likely to cause major de-agglomeration, while the second angle might act as a facilitator for further break-up, but the deposition was minimum as the fragment sizes and velocity at the second impaction were smaller. This hypothesis was supported by further studies using single-angle throats and numerical simulation (DEM-CFD). These findings imply the potential importance of using angular design features for multiple impactions to improve DPI performance.
Simulation of gas-liquid flow in dripping zone of blast furnace involving impermeable fused layers
Publisher: Iron and Steel Institute of Japan
Date: 2000
Agglomeration of fine particles subjected to centripetal compaction
Publisher: Elsevier BV
Date: 05-2008
Flooding Diagram for Multi-phase Flow in a Moving Bed
Publisher: Iron and Steel Institute of Japan
Date: 2009
On the modelling of the packing of fine particles
Publisher: Elsevier BV
Date: 08-1997
Micromechanic modeling and analysis of unsteady-state granular flow in a cylindrical hopper
Publisher: Springer Science and Business Media LLC
Date: 07-2005
Shape-Controlled Syntheses of Silver Nanoparticles: Role of the Seeds
Publisher: Trans Tech Publications, Ltd.
Date: 06-2010
DOI: 10.4028/WWW.SCIENTIFIC.NET/MSF.654-656.2402
Abstract: Precious metallic nanoparticles have attracted considerable attention because of their unique properties (optical, electronic, and chemical properties) and potential applications in many areas such as optical probes, biochemical sensors, and surface enhanced Raman Spectrum. Despite many successes in synthesis of anisotropic nanoparticles (rods, plates), some limitations still exist in generating monodispersed silver nanoparticles. This study intends to elucidate the influence of crystalline seeds on the shape, size, and size distribution of nanoparticles through a seed-mediated method. The crystalline seeds can be modified by using different ways, such as heating treatment and oxidative etching. The shape and size of the generated particles will be characterized by TEM, and the particle formation and growth is tracked by UV-vis spectrometry. The findings would be useful for the shape-controlled synthesis of metal nanoparticles for desired functional properties.
Particle-scale modelling of injected hydrogen and coke co-combustion in the raceway of an ironmaking blast furnace
Publisher: Elsevier BV
Date: 03-2023
Continuum modelling of primary and secondary granular flows in a torsional shear cell
Publisher: Elsevier BV
Date: 02-2020
Modeling and analysis of fluid rheology effect on sand screen performance
Publisher: Elsevier BV
Date: 10-2022
Highly (4 0 0) preferential ITO thin film prepared by DC sputtering with excellent conductivity and infrared reflectivity
Publisher: Elsevier BV
Date: 02-2020
Modelling of the Solids Flow in a Blast Furnace.
Publisher: Iron and Steel Institute of Japan
Date: 1998
Packing of quaternary mixtures of fibrous particles
Publisher: Wiley
Date: 04-1999
Simulation of Gas-Solid Flow in Vertical Pipe by Hard-Sphere Model
Publisher: Informa UK Limited
Date: 16-03-2005
Particle-scale modelling of gas-solid flow in fluidisation
Publisher: Wiley
Date: 02-2003
DOI: 10.1002/JCTB.788
Abstract: Various approaches have been proposed to model the gas–solid two‐phase flow at different time and length scales, including the so‐called two‐fluid model (TFM), direct numerical simulation (DNS) and combined continuum and discrete model (CCDM). This paper briefly discusses the key features of these models and their relative merit with special reference to modelling gas fluidisation. Focus is then given to CCDM in which the motion of in idual particles is obtained by solving Newton's second law of motion and fluid flow by the Navier–Stokes equation based on the concept of local average. The applicability of CCDM is highlighted by its successful simulation of complicated phenomena associated with the transition between fluid‐like and solid‐like behaviour in raceway formation and bed expansion. At the same time, the usefulness of the resulting particle‐scale information is demonstrated in elucidating the fundamentals governing the gas–solid flow. Finally, areas for future development are discussed. © 2003 Society of Chemical Industry
An efficient method to achieve MLCC miniaturization and ensure its reliability
Publisher: Springer Science and Business Media LLC
Date: 10-11-2017
Simulation study of size distributions and magic number sequences of clusters during the solidification process in liquid metal Na
Publisher: Elsevier BV
Date: 04-2009
Biomorphic Synthesis of Mesoporous Co3O4 Microtubules and Their Pseudocapacitive Performance
Publisher: American Chemical Society (ACS)
Date: 15-09-2014
DOI: 10.1021/AM5044449
Abstract: A novel meosoporous tubular Co3O4 has been fabricated by a simple and cost-effective biomorphic synthesis route, which consists of infiltration of cotton fiber with cobalt nitrate solution and postcalcination at 673 K for 1 h. Its electrochemical performance as a supercapacitor electrode material is investigated by means of cyclic voltammetry and chronopotentiometry tests. Compared with bulk Co3O4 prepared without using cotton template, biomorphic Co3O4 displays 2.8 fold enhancement of pseudocapacitive performance because of the unique tubular morphology, relative high specific surface area (3 and 0.8 m(2)/g for biomorphic Co3O4 and bulk Co3O4, respectively), and mesoporous nature.
Computational study of the multiphase flow and performance of hydrocyclones: Effects of cyclone size and spigot diameter
Publisher: American Chemical Society (ACS)
Date: 31-10-2013
DOI: 10.1021/IE402267B
A design method of hopper shape optimization with improved mass flow pattern and reduced particle segregation
Publisher: Elsevier BV
Date: 05-2022
Molecular dynamics study on the growth mechanism of goethite (alpha-FeOOH) nanorods
Publisher: Elsevier BV
Date: 2011
Electrochemical properties of 3D MnO2 film prepared by chemical bath deposition at room temperature
Publisher: Elsevier BV
Date: 09-2012
CFD-DEM study of air entrainment in falling particle plumes
Publisher: Elsevier BV
Date: 02-2020
Porous FeVO4 nanorods: Synthesis, characterization, and gas-sensing properties toward volatile organic compounds
Publisher: Springer Science and Business Media LLC
Date: 29-08-2013
Ag/VO2/Ag sandwich nylon film for smart thermal management and thermo-responsive electrical conductivity
Publisher: SAGE Publications
Date: 02-02-2021
Abstract: Due to the effects of climate changing, the importance of outdoor thermal comfort has been recognized, and has gained more and more research attentions. Unlike indoor space where air conditioning can be easily implemented, outdoor thermal comfort can only be achieved by localized thermal management. Using textile is a simple but energy-saving way to realize outdoor thermal comfort. Herein, we report the design of a smart thermal management film with the silver/vanadium dioxide/silver (Ag/VO 2 /Ag) sandwich structure prepared by one-dimensional (1 D) nanowires. It was found that the Ag/VO 2 /Ag sandwich film was able to lower the temperature by around 10 °C under intense infrared (IR) radiation. In addition, the Ag/VO 2 /Ag sandwich structure film showed a thermo-responsive electrical conductivity and an outstanding bending stability, due to network structure formed by nanowires. It was experimentally proved that this sandwich structure was superior to other layer structures in IR shielding performance and thermo-responsive electrical conductivity. The as-prepared Ag/VO 2 /Ag sandwich structure film has great potential for various applications such as wearable devices, flexible electronics, medical monitors and smart IR radiation management.
PACKING OF FINE POWDERS SUBJECTED TO TAPPING
Publisher: Elsevier BV
Date: 03-1994
Numerical study of the packing of wet coarse uniform spheres
Publisher: Wiley
Date: 07-2003
Low-temperature electrostatic precipitator with different electrode configurations under various operation conditions
Publisher: Elsevier BV
Date: 12-2021
POROSITY CALCULATIONS OF TERNARY MIXTURES OF PARTICLES
Publisher: Elsevier BV
Date: 02-1987
Amorphous Li4Ti5O12 Thin Film with Enhanced Lithium Storage Capability and Reversibility for Lithium-Ion Batteries
Publisher: Wiley
Date: 21-08-2014
Abstract: This manuscript focuses on how to improve the electronic conductivity and lithium‐ion diffusivity of Li 4 Ti 5 O 12 thin films, which present a serious constraint to the development of the solid‐state lithium‐ion batteries. Given this understanding, we have found that creating amorphous structural features and hierarchical channels of thin films form a very simple yet effective approach to solve the problem. The unique structural features and high electrical conductivity of the as‐prepared thin films result in high capacity (283.5 mAh g −1 at 10 μA cm −2 ) and good cyclic stability (≈3 % capacity loss after 100 cycles at 10 μA cm −2 ). These important findings could open up new opportunities for Li 4 Ti 5 O 12 in constructing high‐performance binder‐free energy storage devices.
Prediction of porosity from particle scale interactions: Surface modification of fine cohesive powders
Publisher: Elsevier BV
Date: 03-2014
Computational study of the multiphase flow and performance of dense medium cyclones: Effect of body dimensions
Publisher: Elsevier BV
Date: 2011
Prediction of mass discharge rate in conical hoppers using elastoplastic model
Publisher: Elsevier BV
Date: 02-2017
CFD-DEM simulation of raceway formation in an ironmaking blast furnace
Publisher: Elsevier BV
Date: 06-2017
Numerical investigation of the de-agglomeration mechanisms of fine powders on mechanical impaction
Publisher: Elsevier BV
Date: 11-2011
The Comparative Effect of Particle Size and Support Acidity on Hydrogenation of Aromatic Ketones
Publisher: Wiley
Date: 04-09-2019
A New Approach for Studying Softening and Melting Behavior of Particles in a Blast Furnace Cohesive Zone
Publisher: Springer Science and Business Media LLC
Date: 21-10-2015
Limitation of Proposed Mathematical Models for the Porosity Estimation of Nonspherical Particle Mixtures
Publisher: American Chemical Society (ACS)
Date: 09-1993
DOI: 10.1021/IE00021A043
Computational Investigation of Horizontal Slug Flow in Pneumatic Conveying
Publisher: American Chemical Society (ACS)
Date: 20-12-2007
DOI: 10.1021/IE070991Q
Discrete Modelling of Powder Dispersion in Dry Powder Inhalers - A Brief Review
Publisher: Bentham Science Publishers Ltd.
Date: 17-09-2015
DOI: 10.2174/1381612821666150820110958
Abstract: The performance of a dry powder inhaler (DPI) depends on powder properties as well as the air and particle flows in the device. The main principle of powder dispersion is to overcome the inter-particle cohesion using various dispersion/ de-agglomeration forces. While different dispersion mechanisms have been identified, their relative importance under different conditions is less clear. The lack of understanding of these mechanisms is a major obstacle to the advance of pharmaceutical powder aerosol technology. This paper briefly reviews our recent effort in developing a combined computational fluid dynamics (CFD) and discrete element method (DEM) approach to gain such pivotal information. Dispersions under various specifically designed conditions were simulated to exam the role of in idual dispersion mechanism. The air and particle flows were analysed at the particle scale and linked to dispersion performance characterised by fine particle fraction (FPF). In addition, the dispersion mechanisms of both drug only and carrier based formulations in a commercial inhaler were studied. Our work shows that the approach has the potential to develop a theoretical framework for designing new DPIs.
Droplets Patterning of Structurally Integrated 3D Conductive Networks-Based Flexible Strain Sensors for Healthcare Monitoring
Publisher: MDPI AG
Date: 30-12-2022
DOI: 10.3390/NANO13010181
Abstract: Flexible strain sensors with significant extensibility, stability, and durability are essential for public healthcare due to their ability to monitor vital health signals noninvasively. However, thus far, the conductive networks have been plagued by the inconsistent interface states of the conductive components, which h ered the ultimate sensitivity performance. Here, we demonstrate structurally integrated 3D conductive networks-based flexible strain sensors of hybrid Ag nanorods/nanoparticles(AgNRs/NPs) by combining a droplet-based aerosol jet printing(AJP) process and a feasible transfer process. Structurally integrated 3D conductive networks have been intentionally developed by tweaking droplets deposition behaviors at multi-scale for efficient hybridization and ordered assembly of AgNRs/NPs. The hybrid AgNRs/NPs enhance interfacial conduction and mechanical properties during stretching. In a strain range of 25%, the developed sensor demonstrates an ideal gauge factor of 23.18. When real-time monitoring of finger bending, arm bending, squatting, and vocalization, the fabricated sensors revealed effective responses to human movements. Our findings demonstrate the efficient droplet-based AJP process is particularly capable of developing advanced flexible devices for optoelectronics and wearable electronics applications.
A DEM study of the mixing of particles induced by a flat blade
Publisher: Elsevier BV
Date: 09-2012
Hydrothermal synthesis of sodium vanadium oxide nanorods for gas sensing application
Publisher: Elsevier BV
Date: 10-2014
Novel observations on kinetics of nonisothermal crystallization in fly ash filled isotactic-polypropylene composites
Publisher: Wiley
Date: 07-10-2010
DOI: 10.1002/APP.31186
Effect of Neodymium Salt in the Anodization of Aluminum in Sulphuric Acid
Publisher: Trans Tech Publications, Ltd.
Date: 12-2012
DOI: 10.4028/WWW.SCIENTIFIC.NET/AMR.415-417.1895
Abstract: Neodymium salt was used as additives for the first time in preparing anodic aluminum oxide (AAO) films to improve its performance. AAO films were prepared by anodization method from a 15 vol. % sulphuric acid solution containing neodymium salt the effects of concentration of neodymium on microhardness and thickness of AAO film were researched, respectively. The effect of heat treatment temperature on structure of AAO film was researched. AAO films were characterized by XRD, EDAX and SEM techniques. The microhardness and thickness of AAO film were 377.2HV and 85μm respectively, which were higher 12.60% and 21.43% than those of the film prepared in electrolyte of nothing addition neodymium salt, respectively. The surface of AAO film was smoother and the aperture of AAO film was more uniform than those of films prepared in electrolyte of nothing addition neodymium salt. The apertures of AAO film were in 25～30nm. There was not neodymium in AAO film. AAO films were amorphous when heat treatment temperatures of AAO film were below 800°C, heat treatment temperature of AAO film were 850°C and 1000°C respectively, AAO films were γ-Al 2 O 3 and α-Al 2 O 3 film respectively.
Numerical analysis of hydrocyclones with different vortex finder configurations
Publisher: Elsevier BV
Date: 08-2014
Study on scale-up characteristics of oxy-fuel combustion in circulating fluidized bed boiler by 3D CFD simulation
Publisher: Elsevier BV
Date: 05-2020
Modeling the Multiphase Flow in Hydrocyclones Using the Coarse-Grained Volume of Fluid—Discrete Element Method and Mixture-Discrete Element Method Approaches
Publisher: American Chemical Society (ACS)
Date: 27-06-2018
Numerical investigation on the flow, combustion, and NOx emission characteristics in a 660 MWe tangential firing ultra-supercritical boiler
Publisher: SAGE Publications
Date: 02-2016
Abstract: A three-dimensional numerical simulation was carried out to study the pulverized-coal combustion process in a tangentially fired ultra-supercritical boiler. The realizable k- ε model for gas coupled with discrete phase model for coal particles, P-1 radiation model for radiation, two-competing-rates model for devolatilization, and kinetics/diffusion-limited model for combustion process are considered. The characteristics of the flow field, particle motion, temperature distribution, species components, and NO x emissions were numerically investigated. The good agreement of the measurements and predictions implies that the applied simulation models are appropriate for modeling commercial-scale coal boilers. It is found that an ideal turbulent flow and particle trajectory can be observed in this unconventional pulverized-coal furnace. With the application of over-fire air and additional air, lean-oxygen combustion takes place near the burner sets region and higher temperature at furnace exit is acquired for better heat transfer. Within the limits of secondary air, more steady combustion process is achieved as well as the reduction of NO x . Furthermore, the influences of the secondary air, over-fire air, and additional air on the NO x emissions are obtained. The numerical results reveal that NO x formation attenuates with the decrease in the secondary air ratio ( γ 2nd ) and the ratio of the additional air to the over-fire air ( γ AA / γ OFA ) was within the limits.
Experimental and numerical study of cetyltrimethylammonium bromide (CTAB)-directed synthesis of goethite nanorods
Publisher: Elsevier BV
Date: 07-2010
Stress distribution in a sandpile formed on a deflected base
Publisher: Elsevier BV
Date: 2003
Computational investigation of the mechanisms of the “breakaway” effect in a dense medium cyclone
Publisher: Elsevier BV
Date: 07-2014
Erratum: Publisher's note: Role of interparticle forces in the formation of random loose packing (Physical Review Letter (2006) 96 (145505))
Publisher: American Physical Society (APS)
Date: 26-04-2006
Process simulation on atomization and evaporation of desulfurization wastewater and its application
Publisher: Elsevier BV
Date: 09-2021
Particle scale modelling of the multiphase flow in a dense medium cyclone: Effect of fluctuation of solids flowrate
Publisher: Elsevier BV
Date: 06-2012
A new hybrid finite element approach for plane piezoelectricity with defects
Publisher: Springer Science and Business Media LLC
Date: 13-10-2013
Flow regimes of cohesionless ellipsoidal particles in a rotating drum
Publisher: Elsevier BV
Date: 09-2019
Averaging method of particulate systems and its application to particle-fluid flow in a fluidized bed
Publisher: Elsevier BV
Date: 20-08-2009
A novel boundary-integral based finite element method for 2D and 3D thermo-elasticity problems
Publisher: Informa UK Limited
Date: 10-2012
Flow properties of particles in a model annular shear cell
Publisher: AIP Publishing
Date: 05-2012
DOI: 10.1063/1.4710539
Abstract: In order to quantitatively investigate the mechanical and rheological properties of solid flow in a shear cell under conditions relevant to those in an annular cell, we performed a series of discrete particle simulations of slightly polydispersed spheres from quasi-static to intermediate flow regimes. It is shown that the average values of stress tensor components are uniformly distributed in the cell space away from the stationary walls however, some degree of inhomogeneity in their spatial distributions does exist. A linear relationship between the (internal/external) shear and normal stresses prevails in the shear cell and the internal and external friction coefficients can compare well with each other. It is confirmed that annular shear cells are reasonably effective as a method of measuring particle flow properties. The so-called I-rheology proposed by Jop et al. [Nature (London) 441, 727 (2006)] is rigorously tested in this cell system. The results unambiguously display that the I-rheology can effectively describe the intermediate flow regime with a high correlation coefficient. However, significant deviations take place when it is applied to the quasi-static regime, which corresponds to very small values of inertial number.
Numerical prediction on the minimum fluidization velocity of a supercritical water fluidized bed reactor: Effect of particle size distributions
Publisher: Elsevier BV
Date: 09-2021
Mixing behavior of binary and multi-component mixtures of particles in waste fluidized beds
Publisher: Elsevier BV
Date: 12-2016
Experiments on particles flow in a dual circulating fluidized bed with symmetrical structure
Publisher: Elsevier BV
Date: 12-2016
Discrete Modelling of Compaction of Non-spherical Particles
Publisher: EDP Sciences
Date: 2017
Modeling the discontinuous liquid flow in a blast furnace
Publisher: Springer Science and Business Media LLC
Date: 04-1997
Numerical analysis of hydrocyclones with different conical section designs
Publisher: Elsevier BV
Date: 07-2014
Contact forces between viscoelastic ellipsoidal particles
Publisher: Elsevier BV
Date: 11-2013
Discrete element simulation for pneumatic conveying of granular material
Publisher: Wiley
Date: 19-09-2006
DOI: 10.1002/AIC.10645
Melt pool dynamics and pores formation in multi-track studies in laser powder bed fusion process
Publisher: Elsevier BV
Date: 06-2022
Co3O4 microtubules derived from a biotemplated method for improved lithium storage performance
Publisher: Elsevier BV
Date: 08-2017
Interfacial interactions in clay-based nylon 6 nanocomposites: A density functional theory study
Publisher: Elsevier BV
Date: 10-2009
Bioinspired hierarchical copper oxide surfaces for rapid dropwise condensation
Publisher: Royal Society of Chemistry (RSC)
Date: 2017
DOI: 10.1039/C7TA05087A
Abstract: Patterned copper oxide (CuO) microprotrusions have been developed by combining facile wet-chemical oxidation, photolithography and e-beam evaporation processes.
Particle scale modelling of powder recoating and melt pool dynamics in laser powder bed fusion additive manufacturing: A review
Publisher: Elsevier BV
Date: 09-2022
A GPU-based DEM approach for modelling of particulate systems
Publisher: Elsevier BV
Date: 11-2016
Rapid synthesis and growth of silver nanowires induced by vanadium trioxide particles
Publisher: Elsevier BV
Date: 08-2013
Prediction of the mixing behaviour of binary mixtures of particles in a bladed mixer
Publisher: Elsevier BV
Date: 12-2014
Coordination number of the packing of ternary mixtures of spheres: Dem simulations versus measurements
Publisher: American Chemical Society (ACS)
Date: 28-06-2011
DOI: 10.1021/IE200765H
Critical states and phase diagram in the packing of uniform spheres
Publisher: IOP Publishing
Date: 05-2009
Spontaneous inter-particle percolation: A kinematic simulation study
Publisher: Elsevier BV
Date: 11-2010
Computer simulation of the packing of nanoparticles
Publisher: Elsevier BV
Date: 03-2022
Review on Modeling and Simulation of Blast Furnace
Publisher: Wiley
Date: 07-07-2018
Gas-powder flow in blast furnace with different shapes of cohesive zone
Publisher: Elsevier BV
Date: 11-2006
Three-dimensional modelling of coal combustion in blast furnace
Publisher: Iron and Steel Institute of Japan
Date: 2008
A Numerical Investigation of the Effect of Dust Layer on Particle Migration in an Electrostatic Precipitator
Publisher: Taiwan Association for Aerosol Research
Date: 2020
Numerical study of gas–solid flow in a cyclone separator
Publisher: Elsevier BV
Date: 11-2006
Model study of the effect of bird's nest on transport phenomena in the raceway of an ironmaking blast furnace
Publisher: Elsevier BV
Date: 08-2014
Optimisation of a circularly vibrating screen based on DEM simulation and Taguchi orthogonal experimental design
Publisher: Elsevier BV
Date: 04-2017
Computational investigation of the effect of particle density on the multiphase flows and performance of hydrocyclone
Publisher: Elsevier BV
Date: 05-2016
A self-seeding coreduction method for shape control of silver nanoplates
Publisher: IOP Publishing
Date: 11-09-2006
Lithium titanium oxynitride thin film with enhanced lithium storage and rate capability
Publisher: Elsevier BV
Date: 04-2016
Modelling of inclusion motion and flow patterns in swirling flow tundishes with symmetrical and asymmetrical structures
Publisher: Iron and Steel Institute of Japan
Date: 2008
Analysis of the pore characteristics of mixtures of disks
Publisher: Elsevier BV
Date: 11-1997
Abstract: This paper presents a study of the pore characteristics of the packing of disks by using three computer simulation algorithms: deposition under gravity (DG), random sequential adsorption, and Mason's algorithm. A pore is regarded as corresponding to a triangular subunit obtained from the Voronoi tessellation for monosized packing or radical tessellation for multisized packing, and its size and shape are respectively quantified in terms of equivalent circular diameter and circularity. The results indicate that both pore size and shape distributions are significantly affected by the simulation method, which are considered to be related to the packing constraints imposed in the simulation algorithms. Studies of the DG packing of binary mixtures suggest that the disk size distribution significantly affects packing density, a typical macroscopic property, and microscopic properties such as pore size and shape distributions. Attempts have been made to explain the results in terms of packing mechanisms for packing density and geometrical properties for pore characteristics. Copyright 1997 Academic Press. Copyright 1997Academic Press
CFD-DEM modelling and simulation of pneumatic conveying: A review
Publisher: Elsevier BV
Date: 04-2020
Particle scale modelling of the multiphase flow in a dense medium cyclone: Effect of vortex finder outlet pressure
Publisher: Elsevier BV
Date: 05-2012
Characterization and Luminescence Properties of YAG :Ce3+
Publisher: Wiley
Date: 22-11-2011
Prediction of the performance of dense medium cyclones in coal preparation
Publisher: Elsevier BV
Date: 05-2012
Synthesis and growth of hematite nanodiscs through a facile hydrothermal approach
Publisher: Springer Science and Business Media LLC
Date: 29-04-2010
Interaction forces between carbon nanospheres: A molecular dynamics simulation study
Publisher: Elsevier BV
Date: 2015
Hydrothermal Synthesis of Silver Vanadium Oxide (Ag0.35V2O5) Nanobelts for Sensing Amines
Publisher: Springer Science and Business Media LLC
Date: 21-10-2015
Numerical simulation of particle dynamics in different flow regimes in a rotating drum
Publisher: Elsevier BV
Date: 12-2008
Gas-solid flow in an ironmaking blast furnace - I: Physical modelling
Publisher: Elsevier BV
Date: 03-2011
Gas-solid flow in an ironmaking blast furnace-II: Discrete particle simulation
Publisher: Elsevier BV
Date: 03-2011
CFD-DEM modelling of mixing and segregation of binary mixtures of ellipsoidal particles in liquid fluidizations
Publisher: Springer Science and Business Media LLC
Date: 24-01-2019
Role of interparticle forces in the formation of random loose packing
Publisher: American Physical Society (APS)
Date: 14-04-2006
Formation characteristics of nano-clusters during rapid solidification process of liquid metal Al
Publisher: Springer Science and Business Media LLC
Date: 2003
Self-assembly of particles: some thoughts and comments
Publisher: Royal Society of Chemistry (RSC)
Date: 2011
DOI: 10.1039/C1JM12213D
Scanning white-light interferometry as a novel technique to quantify the surface roughness of micron-sized particles for inhalation
Publisher: American Chemical Society (ACS)
Date: 28-08-2008
DOI: 10.1021/LA8016062
Abstract: A novel approach of measuring the surface roughness of spherical and flat micron-sized drug particles using scanning white-light interferometry was applied to investigate the surface morphology of micron-sized active pharmaceutical ingredients (APIs) and excipient particles used for inhalation aerosols. Bovine serum albumin (BSA) and alpha-lactose monohydrate particles were chosen as model API and excipient particles, respectively. Both BSA and lactose particles were prepared with different degrees of surface corrugation using either controlled spray drying (four s les of BSA) or decantation (two s les of lactose). Particle size distributions were characterized by laser diffraction, and particles were imaged by scanning electron microscopy (SEM). Surface roughness of the BSA and lactose particles was quantified by white-light optical profilometry using vertical scanning interferometry (VSI) at full resolution using a 50x objective lens with 2.0x and 0.5x fields of view for BSA and lactose, respectively. Data were analyzed using Vision software (version 32, WYKO), and surface roughness values are expressed as root-mean-square roughness ( Rrms). Furthermore, data were compared to topographical measurements made using conventional atomic force microscopy. Analysis of the optical profilometry data showed significant variation in BSA roughness ranging from 18.58 +/- 3.80 nm to 110.90 +/- 13.16 nm for the smoothest and roughest BSA particles, respectively, and from 81.20 +/- 15.90 nm to 229.20 +/- 68.20 nm for decanted and normal lactose, respectively. The Rrms values were in good agreement with the AFM-derived values. The particle morphology was similar to SEM and AFM images. In conclusion, scanning white-light interferometry provides a useful complementary tool for rapid evaluation of surface morphology and roughness in particles used for dry powder inhalation formulation.
Piping flow of cohesive granular materials in silo modelled by finite element method
Publisher: Springer Science and Business Media LLC
Date: 12-11-2016
Discrete particle simulation of jet-induced cratering of a granular bed
Publisher: Elsevier BV
Date: 05-2013
The Properties of BaSn0.15Ti0.85O3 Thin Film Prepared by Radio Frequency Magnetron Sputtering from Powder Target
Publisher: Wiley
Date: 27-07-2010
Coordination number of ternary mixtures of spheres
Publisher: Wiley
Date: 11-2003
Experimental study on characteristics of pressurized grade conversion of coal
Publisher: Elsevier BV
Date: 12-2018
CFD simulation of dilute-phase pneumatic conveying of powders
Publisher: Elsevier BV
Date: 05-2019
CFD-DEM analysis of hydraulic conveying bends: Interaction between pipe orientation and flow regime
Publisher: Elsevier BV
Date: 11-2021
Numerical Modelling of ESP for Design Optimization
Publisher: Elsevier BV
Date: 2015
Oxy-fuel combustion behaviors in a fluidized bed: A combined experimental and numerical study
Publisher: Elsevier BV
Date: 05-2019
Structural evolution in the crystallization of rapid cooling silver melt
Publisher: Elsevier BV
Date: 03-2015
From Micro to Macro: A Comparative Study of DEM and FEM in Modelling Hopper Flow
Publisher: Springer Singapore
Date: 02-12-2016
Corrigendum to Prediction of the porosity of multi-component mixtures of cohesive and non-cohesive particles [Chem. Eng. Sci. 64 (2011) 4711-4721]
Publisher: Elsevier BV
Date: 06-2012
CFD-DEM study the effect of carrier-drug mass ratio on the aerosolisation process in original and modified dry powder inhalers
Publisher: Springer Singapore
Date: 02-12-2017
Determination of minimum fluidization velocity in fluidized bed at elevated pressures and temperatures using CFD simulations
Publisher: Elsevier BV
Date: 05-2019
Particle scale study of heat transfer in packed and fluidized beds of ellipsoidal particles
Publisher: Elsevier BV
Date: 04-2016
Silver vanadate nanobelts: A highly sensitive material towards organic amines
Publisher: Elsevier BV
Date: 11-2014
Numerical study on the erosion process of the low temperature economizer using computational fluid dynamics-discrete particle method
Publisher: Elsevier BV
Date: 06-2020
Particle-scale study of coke combustion in the raceway of an ironmaking blast furnace
Publisher: Elsevier BV
Date: 03-2022
Lattice-Boltzmann simulation of fluid flow through packed beds of uniform ellipsoids
Publisher: Elsevier BV
Date: 11-2015
Fabrication of Nanopillar Crystalline ITO Thin Films with High Transmittance and IR Reflectance by RF Magnetron Sputtering
Publisher: MDPI AG
Date: 22-03-2019
DOI: 10.3390/MA12060958
Abstract: Nanopillar crystalline indium tin oxide (ITO) thin films were deposited on soda-lime glass substrates by radio frequency (RF) magnetron sputtering under the power levels of 100 W, 150 W, 200 W and 250 W. The preparation process of thin films is ided into two steps, firstly, sputtering a very thin and granular crystalline film at the bottom, and then sputtering a nanopillar crystalline film above the bottom film. The structure, morphology, optical and electrical properties of the nanopillar crystalline ITO thin films were investigated. From X-ray diffraction (XRD) analysis, the nanopillar crystalline thin films shows (400) preferred orientation. Due to the effect of the bottom granular grains, the crystallinity of the nanopillar crystals on the upper layer was greatly improved. The nanopillar crystalline ITO thin films exhibited excellent electrical properties, enhanced visible light transmittance and a highly infrared reflectivity in the mid-infrared region. It is noted that the thin film deposited at 200 W showed the best combination of optical and electrical performance, with resistivity of 1.44 × 10−4 Ω cm, average transmittance of 88.49% (with a film thickness of 1031 nm) and IR reflectivity reaching 89.18%.
Role of Citric Acid in the Formation of Silver Nanoplates through a Synergistic Reduction Approach
Publisher: American Chemical Society (ACS)
Date: 03-12-2010
DOI: 10.1021/LA903470F
Abstract: This study discusses the function of citrate ions in the synthesis of silver nanoplates through a synergetic reduction approach in ambient conditions. It was found that the citrate ions can play multiple roles in the synthesis process, including a reducing agent, a stabilizer, and a complex agent, and they show some unique features under the reported conditions. The reducing ability of these citrate ions was shown to be weaker than that of sodium borohydride and/or L-ascorbic acid used in the same system. The stability in the shape/size control of silver particles is weaker than that of other surfactants tested in the present system, such as bis(2-ethylhexyl)sulfosuccinate (AOT) and thiols. Citrate ions could form a silver complex with silver ions as [Ag(2)(+)...citrate] or [Ag(3)(C(6)H(5)O(7))(n+1)](3n-), as confirmed by electrospray ionization (ESI) mass spectrometry and the kinetic analysis that the molar ratio of citric acid or sodium citrate to silver ions can greatly influence the reaction rate and, hence, the particle growth of silver nanoparticles. Such a complexing effect is further confirmed by the use of chelating ions (e.g., [Fe(CN)(6)](4-)) to form Ag(n)[Fe(CN)(6)](n-4), which can largely influence the synthesis of silver nanoparticles. These results show some formation results of generating silver nanoplates involving citrate ions, which are useful in the shape-controlled synthesis of other metallic nanoparticles with desirable functionalities.
CFD-DEM modeling of gas fluidization of fine ellipsoidal particles
Publisher: Wiley
Date: 10-2016
DOI: 10.1002/AIC.15050
A 3D CFD simulation of liquid flow in an ironmaking blast furnace
Publisher: AIP
Date: 2013
DOI: 10.1063/1.4816908
Comparison of different drag models in CFD-DEM simulations of spouted beds
Publisher: Elsevier BV
Date: 2020
Experimental study on the packing of uniform spheres under three-dimensional vibration
Publisher: Elsevier BV
Date: 04-2011
Granule Size Distribution and Porosity of Granule Packing
Publisher: Springer Science and Business Media LLC
Date: 05-2008
Compare pilot-scale and industry-scale models of pulverized coal combustion in an ironmaking blast furnace
Publisher: AIP
Date: 2013
DOI: 10.1063/1.4816909
Numerical simulation of dense-phase pneumatic transport of powder in horizontal pipes
Publisher: Elsevier BV
Date: 02-2020
Preparation and electrical properties of amorphous Li-Al-Ti-P-O thin film electrolyte
Publisher: Elsevier BV
Date: 04-2016
Cobalt–nickel sulfide nanosheets modified by nitrogen-doped porous reduced graphene oxide as high-conductivity cathode materials for supercapacitor
Publisher: Elsevier BV
Date: 12-2020
Numerical studies of melt pool and gas bubble dynamics in laser powder bed fusion process
Publisher: Elsevier BV
Date: 08-2022
Numerical Simulation of the Gas−Solid Flow in Three-Dimensional Pneumatic Conveying Bends
Publisher: American Chemical Society (ACS)
Date: 20-08-2008
DOI: 10.1021/IE800108C
Synthesis of silver-titanium dioxide nanocomposites for antimicrobial applications
Publisher: Springer Science and Business Media LLC
Date: 25-07-2014
Special Issue Simulation and Modeling of Particulate Systems Preface
Publisher: Elsevier BV
Date: 12-2008
Numerical simulation of the pilot-scale high-density circulating fluidized bed riser
Publisher: American Chemical Society (ACS)
Date: 11-02-2021
Buckling analysis of embedded nanotubes using gradient continuum theory
Publisher: Elsevier BV
Date: 02-2012
Effects of Surface Energy on the Nonlinear Behaviors of Laminated Nanobeams
Publisher: Springer Science and Business Media LLC
Date: 2017
Model study of the effects of coal properties and blast conditions on pulverized coal combustion
Publisher: Iron and Steel Institute of Japan
Date: 2009
Local rotational symmetry in the packing of uniform spheres
Publisher: Royal Society of Chemistry (RSC)
Date: 2017
DOI: 10.1039/C7CP01152K
Abstract: The significant changes of local rotational symmetry reveal the essential structural characteristic of sphere packings, especially at all the critical points.
Particle scale modelling of the multiphase flow in a dense medium cyclone: Effect of medium-to-coal ratio
Publisher: AIP
Date: 2013
DOI: 10.1063/1.4812148
Computational study of the effects of material properties on heat transfer in gas fluidization
Publisher: American Chemical Society (ACS)
Date: 22-08-2012
DOI: 10.1021/IE3015999
Recent progress in VO2 smart coatings: Strategies to improve the thermochromic properties
Publisher: Elsevier BV
Date: 08-2016
Numerical study of jet-induced cratering of a granular bed: Effect of gravity
Publisher: AIP
Date: 2013
DOI: 10.1063/1.4812143
CFD-DEM investigation of the dispersion mechanisms in commercial dry powder inhalers
Publisher: Elsevier BV
Date: 05-2013
Hydrogen production from steam reforming of coke oven gas and its utility for indirect reduction of iron oxides in blast furnace
Publisher: Elsevier BV
Date: 08-2012
Numerical study of vertical pneumatic conveying: Effect of friction coefficient
Publisher: AIP
Date: 2013
DOI: 10.1063/1.4812141
Magnetic, electrochemical and thermoelectric properties of P2-Nax (Co7/8 Sb1/8 )O2
Publisher: Elsevier BV
Date: 11-2017
Discrete particle simulation of particle-fluid flow: Model formulations and their applicability
Publisher: Cambridge University Press (CUP)
Date: 25-08-2010
DOI: 10.1017/S002211201000306X
Abstract: The approach of combining computational fluid dynamics (CFD) for continuum fluid and the discrete element method (DEM) for discrete particles has been increasingly used to study the fundamentals of coupled particle–fluid flows. Different CFD–DEM models have been used. However, the origin and the applicability of these models are not clearly understood. In this paper, the origin of different model formulations is discussed first. It shows that, in connection with the continuum approach, three sets of formulations exist in the CFD–DEM approach: an original format set I, and subsequent derivations of set II and set III, respectively, corresponding to the so-called model A and model B in the literature. A comparison and the applicability of the three models are assessed theoretically and then verified from the study of three representative particle–fluid flow systems: fluidization, pneumatic conveying and hydrocyclones. It is demonstrated that sets I and II are essentially the same, with small differences resulting from different mathematical or numerical treatments of a few terms in the original equation. Set III is however a simplified version of set I. The testing cases show that all the three models are applicable to gas fluidization and, to a large extent, pneumatic conveying. However, the application of set III is conditional, as demonstrated in the case of hydrocyclones. Strictly speaking, set III is only valid when fluid flow is steady and uniform. Set II and, in particular, set I, which is somehow forgotten in the literature, are recommended for the future CFD–DEM modelling of complex particle–fluid flow.
Effect of liquid addition on the packing of mono-sized coarse spheres
Publisher: Elsevier BV
Date: 09-1998
A simulation study of the effects of dynamic variables on the packing of spheres
Publisher: Elsevier BV
Date: 05-2001
Numerical Modelling of Die and Unconfined Compactions of Wet Particles
Publisher: Elsevier BV
Date: 2015
Monodispersed spherical Y2 O3 and Y2 O3 :Eu3+ particles synthesized from modified homogeneous urea precipitation process
Publisher: Elsevier BV
Date: 07-2020
A facile one-step spray pyrolysis method to synthesize spherical Li4Ti5O12 for lithium-ion battery
Publisher: Elsevier BV
Date: 08-2014
Numerical Investigation of Shaft Gas Injection Operation in Oxygen-Enriched Ironmaking Blast Furnace
Publisher: Springer Science and Business Media LLC
Date: 02-06-2022
Modelling of liquid flow in the blast furnace. Application in a comprehensive blast furnace model
Publisher: Iron and Steel Institute of Japan
Date: 2001
DEM/CFD-DEM Modelling of Non-spherical Particulate Systems: Theoretical Developments and Applications
Publisher: Elsevier BV
Date: 11-2016
A soft-sensor approach to flow regime detection for milling processes
Publisher: Elsevier BV
Date: 2009
The effect of liquids on radial segregation of granular mixtures in rotating drums
Publisher: Springer Science and Business Media LLC
Date: 08-02-2013
Discrete particle simulation of particulate systems: A review of major applications and findings
Publisher: Elsevier BV
Date: 12-2008
Preparation of indium tin oxide (ITO) thin film with (400) preferred orientation by sol–gel spin coating method
Publisher: Springer Science and Business Media LLC
Date: 21-03-2019
Critical role of Fock exchange in characterizing dopant geometry and magnetic interaction in magnetic semiconductors
Publisher: American Physical Society (APS)
Date: 08-04-2014
Discrete element modeling of gas fluidization of fine ellipsoidal particles
Publisher: AIP
Date: 2013
DOI: 10.1063/1.4812135
Facile preparation of Y2.9Ce0.1Al5O12 nano-phosphors without photobleaching behavior
Publisher: Elsevier BV
Date: 02-2013
Facile synthesis of YAG: Ce3+ thick films for phosphor converted white light emitting diodes
Publisher: Elsevier BV
Date: 11-2015
Erratum: Evaluation of the packing characteristics of mono-sized non-spherical particles (Powder Technology 88 (1996) (71-79) PII: S0032591096031063)
Publisher: Elsevier BV
Date: 09-1998
Discrete particle simulation of heat transfer in pressurized fluidized bed with immersed cylinders
Publisher: AIP
Date: 2013
DOI: 10.1063/1.4812132
Computational study of heat transfer in gas fluidization
Publisher: AIP
Date: 2013
DOI: 10.1063/1.4812131
Agglomerate strength and dispersion of pharmaceutical powders
Publisher: Elsevier BV
Date: 04-2011
CFD modeling and analysis of the multiphase flow and performance of dense medium cyclones
Publisher: Elsevier BV
Date: 07-2014
A STUDY OF THE PACKING OF PARTICLES WITH A MIXTURE SIZE DISTRIBUTION
Publisher: Elsevier BV
Date: 08-1993
Smart Thermal Management Textiles with Anisotropic and Thermoresponsive Electrical Conductivity
Publisher: Wiley
Date: 08-11-2019
Evaluation of Interaction Forces between Nanoparticles by Molecular Dynamics Simulation
Publisher: American Chemical Society (ACS)
Date: 10-11-2010
DOI: 10.1021/IE101751V
CFD-DEM evaluation of screen types for sand control applications
Publisher: Elsevier BV
Date: 05-2022
Particle Scale Study of Heat Transfer in Packed and Fluidized Beds
Publisher: Elsevier
Date: 2015
Contact analysis of different flow regimes in gas fluidization
Publisher: AIP
Date: 2013
DOI: 10.1063/1.4812129
Predictions of the gas–liquid flow in wet electrostatic precipitators
Publisher: Elsevier BV
Date: 04-2017
New understanding from intestinal absorption model: How physiological features influence mass transfer and absorption
Publisher: Wiley
Date: 07-04-2023
DOI: 10.1002/AIC.18099
Abstract: Mathematical modeling of mass transfer and absorption in the small intestine has been a challenging task. Systematic review and analysis of existing efforts indicate the need to pursue a reliable predictive model that is physically sound and computationally efficient. With the consideration of 3D intestinal inner wall structure, this work rigorously derives an absorption model that can be used as a source term in a 1D distributed model, conventionally called the diffusion–convection–reaction model. Moreover, computational fluid dynamics simulations are carried out to generate in silico experimental data for quantification of the mass‐transfer coefficient in the absorption model. This model facilitates a better understanding of the intricate influence of intestinal morphology and motility on mass transfer and absorption in the intestine. Rat duodenum featuring a villous structure and pendular movement is selected as an ex le to demonstrate the capability of this approach.
Bimetallic Ag-Au nanowires: Synthesis, growth mechanism, and catalytic properties
Publisher: American Chemical Society (ACS)
Date: 31-05-2013
DOI: 10.1021/LA400753Q
Abstract: Silver-gold (Ag-Au) bimetallic nanowires were controllably synthesized by a newly developed wet-chemical method at room temperature. The Ag nanowires and Au nanoparticles were sequentially formed by reduction with vanadium oxide (V2O3) nanoparticles so as to form Ag-Au bimetal, in which the Ag nanowires show a diameter of ~20 nm and length up to 10 μm. A few unique features were noted in our new approach: it was rapid (within a few minutes), controllable in shape and size, reproducible, and there was no need for any surface modifiers. The formation and growth mechanisms of these Ag-Au bimetallic nanostructures driven by lattice match and a unique reducing agent (V2O3) have been proposed in this study. Moreover, the application of such bimetallic nanoparticles for catalytic reduction of 4-nitrophenol to 4-aminophenol was performed, and they exhibit catalytic properties superior to those of the Ag nanowires, Au nanoparticles, and Ag-Pd bimetallic nanostructures prepared under the reported conditions. These Ag-Au bimetallic nanoparticles have potential to be highly efficient catalysts for the reduction of 4-nitrophenol. This study may lead to new path for the generation of other bimetallic nanostructures with excellent catalytic efficiency.
Periodic boundary conditions for discrete element method simulation of particle flow in cylindrical vessels
Publisher: American Chemical Society (ACS)
Date: 05-05-2014
DOI: 10.1021/IE404158E
Numerical study of wet particle flow in a rotating drum
Publisher: AIP
Date: 2009
DOI: 10.1063/1.3180001
DEM Simulation of Granular Flows on a Heap
Publisher: AIP
Date: 2009
DOI: 10.1063/1.3180003
Prediction of the Mechanical Properties of Nanocomposites
Publisher: Wiley
Date: 13-01-2010
Synthesis of tetragonal BaTiO3 nano-particle via a novel tartaric acid co-precipitation process
Publisher: Elsevier BV
Date: 03-2021
AN ANALYTICAL-PARAMETRIC THEORY OF THE RANDOM PACKING OF PARTICLES
Publisher: Elsevier BV
Date: 07-1988
Numerical Study of Particle−Fluid Flow in a Hydrocyclone
Publisher: American Chemical Society (ACS)
Date: 16-05-2007
DOI: 10.1021/IE061625U
Effect of particle shape and size on effective thermal conductivity of packed beds
Publisher: Elsevier BV
Date: 04-2017
On the relationships between structural properties and packing density of uniform spheres
Publisher: Elsevier BV
Date: 08-2021
Structure-property interface correlation of fly ash-isotactic polypropylene composites
Publisher: Springer Science and Business Media LLC
Date: 11-2009
Melt Down Behaviour of a Fused Layer in the Blast Furnace Cohesive Zone.
Publisher: Iron and Steel Institute of Japan
Date: 2003
Synthesis and surface modification of magnetic nanoparticles for potential applications in sarcomas
Publisher: Springer Science and Business Media LLC
Date: 06-2015
Ni-Cu bimetallic catalysts on Yttria-stabilized zirconia for hydrogen production from ethanol steam reforming
Publisher: Elsevier BV
Date: 11-2020
Numerical simulation of the flow of fine particles in a hopper
Publisher: AIP
Date: 2009
DOI: 10.1063/1.3180013
Silver-induced growth of selenium nanowires in aqueous solution
Publisher: Elsevier BV
Date: 05-2007
Investigation of Particle Mixing in a Vertical Bladed-Mixer
Publisher: AIP
Date: 2009
DOI: 10.1063/1.3180015
Packing structure of cohesive spheres
Publisher: American Physical Society (APS)
Date: 03-2004
Preparation of Mg2-xRExNi (RE = La, Ce, Pr, Nd, Y) alloys and their electrochemical characteristics
Publisher: Elsevier BV
Date: 11-2004
Voronoi tessellation of the packing of fine uniform spheres
Publisher: American Physical Society (APS)
Date: 03-04-2002
Lattice Boltzmann investigation of non-Newtonian fluid flow through a packed bed of uniform spheres
Publisher: Elsevier BV
Date: 02-2019
Luminescent properties of YAG:Ce3+ phosphor powders prepared by hydrothermal-homogeneous precipitation method
Publisher: Elsevier BV
Date: 11-2009
Dynamic modelling on the confined crystallization of mono-sized cubic particles under mechanical vibration
Publisher: Springer Science and Business Media LLC
Date: 11-2018
DOI: 10.1140/EPJE/I2018-11744-2
Abstract: The dynamic crystallization of cubic granular particles under three-dimensional mechanical vibration is numerically investigated by the discrete element method. The effects of operational conditions (vibration, container shape and system size) and particle properties (gravity and friction) on the formation of crystals and defects are discussed. The results show that the formation and growth of clusters with face-to-face aligned cubic particles can be easily realized under vibrations. Especially, a single crystal with both translational and orientational ordering can be reproduced in a rectangular container under appropriate vibrations. It is also found that the gravitational effect is beneficial for the ordering of a packing the ordering of frictional particles can be improved significantly with an enlarged gravitational acceleration. The flat walls of a rectangular container facilitate the formation of orderly layered structures. The curved walls of a cylindrical container contribute to the formation of ring-like structures, whereas they also cause distortions and defects in the packing centers. Finally, it is shown that the crystallization of inelastic particles is basically accomplished by the pursuit of a better mechanical stability of the system, with decreasing kinetic and potential energies.
Preparation and electrode properties of new ternary alloys: REMgNi4 (RE = La, Ce, Pr, Nd)
Publisher: Elsevier BV
Date: 12-2004
Three-dimensional modelling of the wall heat transfer in the lower stack region of a blast furnace
Publisher: Iron and Steel Institute of Japan
Date: 1997
Particle shape-induced axial segregation of binary mixtures of spheres and ellipsoids in a rotating drum
Publisher: Elsevier BV
Date: 05-2021
Finite element investigation of the flow and stress patterns in conical hopper during discharge
Publisher: Elsevier BV
Date: 06-2015
Superwettability of OD materials
Publisher: Elsevier BV
Date: 05-2017
Coarse-grained CFD-DEM study of Gas-solid flow in gas cyclone
Publisher: Elsevier BV
Date: 10-2022
Three-dimensional simulation of oxy-fuel combustion in a circulating fluidized bed
Publisher: Elsevier BV
Date: 06-2019
High-Strength Biodegradable Poly(vinyl alcohol)/Fly Ash Composite Films
Publisher: Wiley
Date: 30-03-2010
DOI: 10.1002/APP.31635
Effect of material properties on the packing of fine particles
Publisher: AIP Publishing
Date: 19-08-2003
DOI: 10.1063/1.1598638
Abstract: The packing of fine particles differs from that of coarse particles because of the strong cohesive interparticle forces. Consequently, material properties of particles have a strong effect on the packing structure of fine particles. This article presents a study of this effect by means of discrete element method. Variables considered include sliding and rolling friction coefficients related to the surface forces, and Hamaker constant and particle density related to the body forces acting on a particle. The results are analyzed in terms of porosity, mean coordination number and radial distribution function. It is shown that porosity increases with sliding and rolling friction coefficients as well as the Hamaker constant, but decreases with particle density, and coordination number and radial distribution function vary with these variables in line with porosity. The results have also been used to link the macrostructural property such as porosity to microstructural properties such as coordination number and radial distribution function. It is demonstrated that porosity can be described as a function of the force ratio between the van der Waals force and gravity force on a particle but the relationship varies with the sliding and rolling friction coefficients.
Editorial for the special issue on simulation and modelling of particulate systems
Publisher: Elsevier BV
Date: 06-2017
Modelling the gas-liquid flow in an ironmaking blast furnace
Publisher: Inderscience Publishers
Date: 2004
A simplified mathematical model for gas?solid flow in a blast furnace
Publisher: Inderscience Publishers
Date: 2004
Gratitude to our thematic editors and welcome to Judith Chow
Publisher: Elsevier BV
Date: 10-2010
CFD-DEM Simulation of Large-Scale Dilute-Phase Pneumatic Conveying System
Publisher: American Chemical Society (ACS)
Date: 06-09-2020
Finite element modeling of the transient heat conduction between colliding particles
Publisher: Elsevier BV
Date: 15-06-2008
Transport and deposition of cohesive pharmaceutical powders in human airway
Publisher: EDP Sciences
Date: 2017
Particle scale modelling of the multiphase flow in a dense medium cyclone: Effect of near gravity material
Publisher: AIP
Date: 2013
DOI: 10.1063/1.4812180
Effect of packing method on packing formation and the correlation between packing density and interparticle force
Publisher: Elsevier BV
Date: 02-2020
Preparation and Sintering Behavior of the Tin‐Doped Indium Oxide Nanopowders
Publisher: Wiley
Date: 02-04-2010
Assessment of model formulations in the discrete particle simulation of gas-solid flow
Publisher: American Chemical Society (ACS)
Date: 18-11-2004
DOI: 10.1021/IE049387V
Numerical investigation of burden distribution in ironmaking blast furnace
Publisher: Elsevier BV
Date: 07-2019
Simulation of desulphurization wastewater evaporation through flue gas
Publisher: Elsevier BV
Date: 02-2020
Stress fields of solid flow in a model blast furnace
Publisher: Springer Science and Business Media LLC
Date: 14-01-2009
Particle scale modelling of mixing of ellipsoids and spheres in gas-fluidized beds by a modified drag correlation
Publisher: Elsevier BV
Date: 02-2019
Impact energy dissipation study in a simulated ship loading process
Publisher: Elsevier BV
Date: 09-2019
Theoretical model and design of electroadhesive pad with interdigitated electrodes
Publisher: Elsevier BV
Date: 2016
Numerical study of hot charge operation in ironmaking blast furnace
Publisher: Elsevier BV
Date: 08-2014
Effect of vibration condition and inter-particle frictions on the packing of uniform spheres
Publisher: Elsevier BV
Date: 12-2008
Estimation of the Porosity of Particle Mixtures by a Linear-Mixture Packing Model
Publisher: American Chemical Society (ACS)
Date: 06-1991
DOI: 10.1021/IE00054A045
MP-PIC modeling of CFB risers with homogeneous and heterogeneous drag models
Publisher: Elsevier BV
Date: 11-2018
Modelling ironmaking blast furnace: Solid flow and thermochemical behaviours
Publisher: AIP
Date: 2013
DOI: 10.1063/1.4812171
Investigation of causes of layer inversion and prediction of inversion velocity in liquid fluidizations of binary particle mixtures
Publisher: Elsevier BV
Date: 2019
Visual lab tests: Proppant transportation in a 3D printed vertical hydraulic fracture with two-sided rough surfaces
Publisher: Elsevier BV
Date: 2021
One-pot fabrication of hierarchical Ag/MnO2 nanoflowers for electrochemical capacitor electrodes
Publisher: Elsevier BV
Date: 04-2016
A general solution of the drag force in packed beds of multi-sized particles under creeping fluid flow conditions
Publisher: Elsevier BV
Date: 06-2017
Evaluation of the packing characteristics of mono-sized non-spherical particles
Publisher: Elsevier BV
Date: 07-1996
Silver Nanoplates: A Highly Sensitive Material toward Inorganic Anions
Publisher: American Chemical Society (ACS)
Date: 05-03-2008
DOI: 10.1021/LA7032252
Abstract: This paper demonstrates a simple sensing method to detect inorganic anions by silver nanoplates (edge length of approximately 70 nm and thickness of approximately 2 nm) in aqueous solution. By this method, the solution system containing silver nanoplates shows a high sensitivity on the order of 1 x 10(-6) M in detecting halides, phosphate, and thiocyanate ions in water at room temperature. The sensitivity could be identified by the shift in the surface plasmon resonance (SPR) band in UV-vis spectrum. The selectivity of such a sensing system toward various anions was also studied, and it was found that this sensing system could distinguish in idual anions (e.g., Cl-, Br-, I-, H2PO4-, and SCN-) from other anions (e.g., F-, SO42-, CH3COO-, NO3-, and ClO4-) and inorganic cations (e.g., Zn2+, Cd2+, and Cu2+) under the given conditions. The sensing mechanism was also analyzed. It was proposed that the particle surface electron charging, which is mainly determined by the interaction tendency between silver atoms and various inorganic anions in water, is responsible for the shift in the SPR observed. The need for further studies was finally discussed, particularly for systems composed of mixed anions.
Simulation of the cake formation and growth in cake filtration
Publisher: Elsevier BV
Date: 08-2006
Modelling of liquid flow in the blast furnace. Theoretical analysis of the effects of gas, liquid and packing properties
Publisher: Iron and Steel Institute of Japan
Date: 2001
Three-Dimensional Modeling of an Ironmaking Blast Furnace with a Layered Cohesive Zone
Publisher: Springer Science and Business Media LLC
Date: 12-12-2020
Carbon-Coated Gold Nanorods: A Facile Route to Biocompatible Materials for Photothermal Applications
Publisher: American Chemical Society (ACS)
Date: 13-11-2015
Abstract: Gold nanorods and their core-shell nanocomposites have been widely studied because of their well-defined anisotropy and unique optical properties and applications. This study demonstrates a facile hydrothermal synthesis strategy for generating carbon coating on gold nanorods (AuNRs@C) under mild conditions (<200 °C), where the carbon shell is composed of polymerized sugar molecules (glucose). The structure and composition of the produced core-shell nanocomposites were characterized using advanced microscopic and spectroscopic techniques. The functional properties, particularly the photothermal and biocompatibility properties of the produced AuNRs@C, were quantified to assess their potential in photothermal hyperthermia. These AuNRs@C were tested in vitro (under representative treatment conditions) using near-infrared (NIR) light irradiation. It was found that the AuNRs produced here exhibit exemplary heat generation capability. Temperature changes of 10.5, 9, and 8 °C for AuNRs@C were observed with carbon shell thicknesses of 10, 17, and 25 nm, respectively, at a concentration of 50 μM, after 600 s of irradiation with a laser power of 0.17 W/cm(2). In addition, the synthesized AuNRs@C also exhibit good biocompatibility toward two soft tissue sarcoma cell lines (HT1080, a fibrosarcoma and GCT, a fibrous histiocytoma). The cell viability study shows that AuNRs@C (at a concentration of <0.1 mg/mL) core-shell particles induce significantly lower cytotoxicity on both HT1080 and GCT cell lines, as compared with cetyltrimethylammonium bromide (CTAB)-capped AuNRs. Furthermore, similar to PEG-modified AuNRs, they are also safe to both HT1080 and GCT cell lines. This biocompatibility results from a surface full of -OH or -COH groups, which are suitable for linking and are nontoxic Therefore, the AuNRs@C represent a viable alternative to PEG-coated AuNRs for facile synthesis and improved photothermal conversion. Overall, these findings open up a new class of carbon-coated nanostructures that are biocompatible and could potentially be employed in a wide range of biomedical applications.
Numerical study of particle-fluid flow in hydrocyclones with different body dimensions
Publisher: Elsevier BV
Date: 08-2006
Numerical simulation of fuel layered distribution iron ore sintering technology
Publisher: Informa UK Limited
Date: 12-09-2021
Analysis of the forces in ordered FCC packings with different orientations
Publisher: Elsevier BV
Date: 11-2013
Numerical simulation of the in-line pressure jig unit in coal preparation
Publisher: Elsevier BV
Date: 03-2010
A soft-sensor approach to impact intensity prediction in stirred mills guided by DEM models
Publisher: Elsevier BV
Date: 09-2015
Activated carbons by a hydrothermal-assisted activated method for Li-ion batteries
Publisher: Elsevier BV
Date: 06-2017
Finite element analysis of briquetting of iron ore fines
Publisher: Elsevier BV
Date: 07-2019
Orientation of spheroidal particles in single jet bubbling fluidized beds
Publisher: Elsevier BV
Date: 02-2020
Numerical and theoretical investigation of the surface flows of granular materials on heaps
Publisher: Elsevier BV
Date: 11-2010
Particle shape effects on dynamic behaviors in a spouted bed: CFD-DEM study
Publisher: Elsevier BV
Date: 02-2020
Numerical investigation of separation efficiency of the cyclone with supercritical fluid–solid flow
Publisher: Elsevier BV
Date: 03-2022
Computational fluid dynamics study of pulverized coal combustion in blast furnace raceway
Publisher: American Chemical Society (ACS)
Date: 25-09-2009
DOI: 10.1021/IE900853D
Numerical Simulation of 3D Asymmetric Inner States of an Ironmaking Blast Furnace Resulting from Tuyere Closure
Publisher: Springer Science and Business Media LLC
Date: 06-2021
Dynamic analysis of poured packing process of ellipsoidal particles
Publisher: Elsevier BV
Date: 06-2021
Numerical study of horizontal pneumatic conveying: Effect of material properties
Publisher: Elsevier BV
Date: 2014
Numerical Study of Effects of Powder Size and Polydispersity on the Dispersion of Fine Powders in a Cyclonic Flow
Publisher: AIP
Date: 2009
DOI: 10.1063/1.3180051
Theory and Simulation in Nanocomposites
Publisher: Wiley
Date: 10-06-2013
Discussion on chemical energy utilisation of reducing gas in reduction shaft furnace
Publisher: Informa UK Limited
Date: 19-12-2013
Effect of praseodymium salt on properties of anodic aluminum oxide films
Publisher: Trans Tech Publications, Ltd.
Date: 11-2012
DOI: 10.4028/WWW.SCIENTIFIC.NET/AMR.399-401.847
Abstract: Praseodymium salt was used as additives for the first time in preparing anodic aluminum oxide (AAO) films to improve its performance. AAO films were prepared by anodization method from a 15 vol.% sulphuric acid solution containing praseodymium salt. The effects of Pr concentration on microhardness and thickness of AAO film were investigated, respectively. The effect of heat treatment temperature on structure of AAO film was investigated. AAO films were characterized by XRD, EDAX and SEM techniques. AAO films showed higher microhardness and thickness, the surface of AAO film was smoother and the aperture of AAO film was more uniform than those of films prepared in 15 vol. % sulphuric acid anodization solution. The microhardness and thickness of AAO film were 355.7HV and 84μm respectively. The apertures of AAO film were in 25～30nm. There was not praseodymium in AAO film. AAO films were amorphous when heat treatment temperatures of AAO film were below 800°C. When heat treatment temperature of AAO film were 850°C and 1000°C respectively, AAO films were γ-Al2O3 and α-Al2O3 film respectively.
Effect of van der Waals force on bubble dynamics in bubbling fluidized beds of ellipsoidal particles
Publisher: Elsevier BV
Date: 02-2020
A theoretical analysis of the force models in discrete element method
Publisher: Elsevier BV
Date: 2006
Flow characteristics and discharge rate of ellipsoidal particles in a flat bottom hopper
Publisher: Elsevier BV
Date: 02-2014
Simulation study of the evolution mechanisms of clusters in a large-scale liquid Al system during rapid cooling processes
Publisher: IOP Publishing
Date: 03-02-2003
Toward the Development of an Integrated Multiscale Model for Electrostatic Precipitation
Publisher: American Chemical Society (ACS)
Date: 19-03-2013
DOI: 10.1021/IE303466G
Mixing behaviors in an industrial-scale spout-fluid mixer by 3D CFD-TFM
Publisher: Elsevier BV
Date: 06-2017
Numerical studies of multiphase flow and separation performance of natural medium cyclones for recovering waste coal
Publisher: Elsevier BV
Date: 06-2017
Stress distribution in conical sandpiles formed with ellipsoidal particles
Publisher: EDP Sciences
Date: 2017
Radial segregation of binary-sized ellipsoids in a rotating drum
Publisher: Elsevier BV
Date: 12-2019
Effect of surface and interface energies on the nonlinear bending behaviour of nanoscale laminated thin plates
Publisher: Springer Science and Business Media LLC
Date: 11-2016
Quantitative comparison of hydrodynamic and elastoplastic approaches for modeling granular flow in silo
Publisher: Wiley
Date: 17-02-2019
DOI: 10.1002/AIC.16533
CFD-DEM modelling of hydraulic conveying of solid particles in a vertical pipe
Publisher: Elsevier BV
Date: 09-2019
Numerical Investigation of Novel Oxygen Blast Furnace Ironmaking Processes
Publisher: Springer Science and Business Media LLC
Date: 02-04-2018
Discrete particle simulation of solid flow in a melter-gasifier in smelting reduction process
Publisher: Elsevier BV
Date: 06-2017
Chemically modified fly ash for fabricating super-strong biodegradable poly(vinyl alcohol) composite films
Publisher: Springer Science and Business Media LLC
Date: 29-01-2010
Modelling of injecting a ternary coal blend into a model ironmaking blast furnace
Publisher: Elsevier BV
Date: 05-2015
Optimization of Ironmaking Blast Furnace Operations Using an Integrated Mathematical Model
Publisher: Wiley
Date: 03-11-2022
Abstract: Optimization of ironmaking blast furnaces (BFs) must consider bottom and top operations. This is done by a recently developed integrated BF model covering the BF below the burden surface. Key operating parameters are focused, viz. coal rate, oxygen enrichment, blast temperature, and burden central opening extent. Numerical orthogonal experiments are thus conducted. Fitting the simulation data yields a set of empirical correlations predicting BF performance indicators. After the fitting accuracy test, the correlations are used for multi‐objective optimization and operatable zone identification.
Flow and force analysis on the formation of expanded beds in gas fluidization of fine ellipsoids
Publisher: Elsevier BV
Date: 12-2019
Prediction of the overall Young's moduli of clay-based polymer nanocomposites
Publisher: SAGE Publications
Date: 06-01-2015
Abstract: In our previous work, molecular dynamics simulation was used to calculate Young’s modulus of both fully and partially exfoliated effective clay (montmorillonite, MMT) clusters. In this work, we expand that work to predict the overall Young’s moduli of nylon 6/MMT nanocomposites. First, a micromechanics method (i.e. the rule-of-mixtures) is shown to be effective in calculating the overall Young’s moduli of clay-based polymer nanocomposites. Then, the overall Young’s moduli of clay-based polymer nanocomposites with either well-aligned or randomly dispersed effective clay clusters of various clay volume fractions are calculated based on the in idual Young’s moduli of effective clay clusters and polymer matrix by the rule-of-mixtures method. By comparing the simulated results with measured data in the literature, it is shown that the present approach provides an effective way to predict the overall Young’s moduli of nylon 6/MMT nanocomposites.
Co-firing of coal and biomass in oxy-fuel fluidized bed for CO2 capture: A review of recent advances
Publisher: Elsevier BV
Date: 10-2019
Synthesis and optical properties of T2.9Al5O12:0.1Ce(3+) phosphor film from facile sol-gel technology
Publisher: Elsevier BV
Date: 06-2016
Systematic study of effect of particle size distribution in a dense medium cyclone by Johnson's SB function
Publisher: Elsevier BV
Date: 05-2016
A DEM-based approach for analyzing energy transitions in granular and particle-fluid flows
Publisher: Elsevier BV
Date: 04-2017
The packing of spheres in a cylindrical container: the thickness effect
Publisher: Elsevier BV
Date: 05-1995
CHARACTERIZATION OF NONSPHERICAL PARTICLES FROM THEIR PACKING BEHAVIOR
Publisher: Elsevier BV
Date: 03-1993
Prediction of the disc wear in a model IsaMill and its effect on the flow of grinding media
Publisher: Elsevier BV
Date: 11-2011
Editorial on the special issue - Mineral processing in Australia and China
Publisher: Elsevier BV
Date: 09-2015
Prediction of the porosity of particle mixtures
Publisher: Hosokawa Powder Technology Foundation
Date: 1998
Atomic and Electronic Structures of M (=Ni, Fe, NiFe, or FeNi) Adlayer-Modified alpha-Al2O3(0001) Catalyst Interface
Publisher: American Chemical Society (ACS)
Date: 22-06-2011
DOI: 10.1021/JP203208A
Facile one-step synthesis of 0D to 3D VOx nanostructures for energy storage
Publisher: Elsevier BV
Date: 10-2021
Multi-particle FEM simulation of 2D compaction on binary Al/SiC composite powders
Publisher: Elsevier BV
Date: 06-2017
Interfacial interactions in clay-based polymer nanocomposites: Effect of surfactant
Publisher: Trans Tech Publications, Ltd.
Date: 08-2010
DOI: 10.4028/WWW.SCIENTIFIC.NET/AMR.129-131.607
Abstract: The nature of interface plays a very important role in the properties of nanoparticle-reinforced polymer nanocomposites. Understanding the interfacial interactions is crucial in further development of such nanocomposites. In this work, density functional theory is used to examine the interfacial interactions in the clay-nylon 6 nanocomposites. In particular, comparison has been made the systems in the absence of surfactant and in the presence of surfactant. It is found that surfactant can enhance the interfacial interactions through the formation of hydrogen bonds with clay surface and nylon 6. The interaction energies among the different components are calculated for the systems with clay of different atomic substitution.
FEM simulation of particle flow and convective mixing in a cylindrical bladed mixer
Publisher: Elsevier BV
Date: 05-2017
Bubble dynamics in bubbling fluidized beds of ellipsoidal particles
Publisher: Wiley
Date: 06-08-2019
DOI: 10.1002/AIC.16736
Optimisation of sputnik distributor using numerical method
Publisher: Informa UK Limited
Date: 02-2009
A CFD–DEM study of the cluster behavior in riser and downer reactors
Publisher: Elsevier BV
Date: 05-2008
Simulation of the flow and segregation of particle mixtures in liquid fluidization
Publisher: AIP
Date: 2009
DOI: 10.1063/1.3180099
Numerical simulation of electrostatic precipitator considering the dust particle space charge
Publisher: Elsevier BV
Date: 09-2019
Influences of surface and interface energies on the nonlinear vibration of laminated nanoscale plates
Publisher: Elsevier BV
Date: 2018
Dynamics of wet particles in rotating drums: Effect of liquid surface tension
Publisher: AIP Publishing
Date: 2011
DOI: 10.1063/1.3543916
Abstract: A numerical model based on the discrete element method was developed to simulate the wet particle flow in a rotating drum. The model explicitly considered the capillary force between particles and liquid distribution within the packed bed. Physical experiments under similar conditions were carried out to validate the model, showing that the simulation and experiment results were quite comparable in terms of the flow patterns, maximum flow repose angle, and the frequency of avalanching. Flow properties in two different states were investigated with the focus on the effect of liquid surface tension. In the quasistatic state with the drum rotating at very low speeds, discrete avalanches were observed after the flow reached the maximum repose angle. However, flow properties had changed well before avalanches occurred. The microscopic analysis indicated that the strength caused by the capillary force reached a minimal when avalanches started. The maximum repose angle increased with increasing capillary force and their relationship was compared with the theoretical models based on the Mohr–Coulomb criterion and force balance. In the dynamic state, the bed showed continuous surface flow at weak surface tensions but transited into discrete avalanches characterized by the plough flow as the surface tension further increased. The flow became more dilated at high surface tensions with increased particle contacts and more uniform stress distribution. The energy and frequency of collisions between particles also decreased as the liquid surface tension increased and more collisions were observed in the region 4–5 particle diameters below the flow surface. The results would be useful to the development of a comprehensive understanding of the mechanisms of particle mixing and segregation.
Experimental and theoretical studies on noble metal decorated tin oxide flower-like nanorods with high ethanol sensing performance
Publisher: Elsevier BV
Date: 11-2015
Numerical investigation of oxygen-enriched operations in blast furnace ironmaking
Publisher: Elsevier BV
Date: 07-2021
POROSITY CALCULATION OF BINARY-MIXTURES OF NONSPHERICAL PARTICLES
Publisher: Wiley
Date: 11-1993
Micromechanical modeling and analysis of different flow regimes in gas fluidization
Publisher: Elsevier BV
Date: 12-2012
LIMITATION OF THE SIMPLEX-CENTROID DESIGN FOR THE POROSITY CALCULATION OF TERNARY MIXTURES
Publisher: Elsevier BV
Date: 11-1987
Effect of nanofillers on phase separation behavior of diblock copolymer: A molecular dynamic study
Publisher: Trans Tech Publications Ltd.
Date: 15-03-2007
Numerical study of liquid–gas–solid flow in classifying hydrocyclones: Effect of feed solids concentration
Publisher: Elsevier BV
Date: 05-2012
Experimental tests on co-firing coal and biomass waste fuels in a fluidised bed under oxy-fuel combustion
Publisher: Elsevier BV
Date: 02-2021
Dense random packings of spherocylinders
Publisher: Royal Society of Chemistry (RSC)
Date: 2012
DOI: 10.1039/C1SM06487H
Computational investigation of the mechanisms of particle separation and “fish‐hook” phenomenon in hydrocyclones
Publisher: Wiley
Date: 12-11-2009
DOI: 10.1002/AIC.12114
JOHNSON S(B) DISTRIBUTION FUNCTION AS APPLIED IN THE MATHEMATICAL REPRESENTATION OF PARTICLE-SIZE DISTRIBUTIONS .1. THEORETICAL BACKGROUND AND NUMERICAL-SIMULATION
Publisher: Wiley
Date: 08-1994
Optimization of pulverized coal injection (PCI) rate in an ironmaking blast furnace by an integrated process model
Publisher: Elsevier BV
Date: 05-2022
Acidity enhanced [Al]MCM-41 via ultrasonic irradiation for the Beckmann rearrangement of cyclohexanone oxime to ɛ-caprolactam
Publisher: Elsevier BV
Date: 02-2018
Effects of spreader geometry on powder spreading process in powder bed additive manufacturing
Publisher: Elsevier BV
Date: 05-2021
Packing Density of Binary Mixtures of Wet Spheres
Publisher: Wiley
Date: 03-2001
Simulation of liquid–solid flow in a coal distributor
Publisher: Elsevier BV
Date: 10-2008
Micromechanical analysis of heterogeneous composites using hybrid trefftz FEM and hybrid fundamental solution based FEM
Publisher: Oxford University Press (OUP)
Date: 08-08-2013
Abstract: In this paper, a new algorithm is developed based on the homogenization method integrating with the newly developed Hybrid Treffe FEM (HT-FEM) and Hybrid Fundamental Solution based FEM (HFS-FEM). The algorithm can be used to evaluate effective elastic properties of heterogeneous composites. The representative volume element (RVE) of fiber reinforced composites with periodic boundary conditions is introduced and used in our numerical analysis. The proposed algorithm is assessed through two numerical ex les with different mesh density and element geometry and used to investigate the effect of fiber volume fraction, fiber shape and configuration on the effective properties of composites. It is found that the proposed algorithm is insensitive to element geometry and mesh density compared with the traditional FEM ( e.g. ABAQUS). The numerical results indicate that the HT-FEM and HFS-FEM are promising in micromechanical modeling of heterogeneous materials containing inclusions of various shapes and distributions. They are potential to be used for future application in multiscale simulation.
COAL AGGLOMERATION AND ITS EFFECT ON BULK-DENSITY
Publisher: Elsevier BV
Date: 02-1995
Particle Scale Evaluation of the Effective Thermal Conductivity from the Structure of a Packed Bed: Radiation Heat Transfer
Publisher: American Chemical Society (ACS)
Date: 15-08-2013
DOI: 10.1021/IE3033137
Physical simulation of converter steelmaking with powder injection
Publisher: Informa UK Limited
Date: 02-01-2016
Linking discrete particle simulation to continuum properties of the gas fluidization of cohesive particles
Publisher: Wiley
Date: 17-02-2020
DOI: 10.1002/AIC.16944
Prediction of wear and its effect on the multiphase flow and separation performance of dense medium cyclone
Publisher: Elsevier BV
Date: 02-2014
Discrete particle simulation of gas fluidization of particle mixtures
Publisher: Wiley
Date: 08-07-2004
DOI: 10.1002/AIC.10169
A numerical model for the liquid flow in a sputnik coal distributor
Publisher: Elsevier BV
Date: 2009
Numerical simulation of particle migration in electrostatic precipitator with different electrode configurations
Publisher: Elsevier BV
Date: 02-2020
Production of fine polymer powder under cryogenic conditions
Publisher: Wiley
Date: 04-2002
DOI: 10.1002/1521-4125(200204)25:4<401::AID-CEAT401>3.0.CO;2-S
MnO2 film with three-dimensional structure prepared by hydrothermal process for supercapacitor
Publisher: Elsevier BV
Date: 02-2012
Preparation of LaMgNi4 alloy and its electrode properties
Publisher: Elsevier BV
Date: 09-2004
Preparation and tribological performance of electrodeposited Ni-TiB2-Dy2O3 composite coatings
Publisher: Elsevier BV
Date: 06-2009
Three-dimensional MPFEM modelling on isostatic pressing and solid phase sintering of tungsten powders
Publisher: Elsevier BV
Date: 09-2019
Numerical investigation of the separation behaviours of fine particles in large dense medium cyclones
Publisher: Elsevier BV
Date: 09-2015
Linking discrete particle simulation to continuum process modelling for granular matter: Theory and application
Publisher: Elsevier BV
Date: 08-2011
DEM study on the packing density and randomness for packing of ellipsoids
Publisher: Elsevier BV
Date: 02-2020
DEM study of the mechanical strength of iron ore compacts
Publisher: Elsevier BV
Date: 09-2015
Adsorption of the OH group on SnO2 (110) oxygen bridges: A molecular dynamics and density functional theory study
Publisher: American Chemical Society (ACS)
Date: 02-05-2013
DOI: 10.1021/JP4022294
Segregation of granular binary mixtures with large particle size ratios during hopper discharging process
Publisher: Elsevier BV
Date: 02-2020
Preparation, structure and dielectric properties of substrate-free BaTiO3 thin films by sol-gel method
Publisher: Springer Science and Business Media LLC
Date: 18-05-2017
Effects of particle characteristics and consolidation pressure on the compaction of non-spherical particles
Publisher: Elsevier BV
Date: 06-2019
Why Have Continuum Theories Previously Failed to Describe Sandpile Formation?
Publisher: American Physical Society (APS)
Date: 05-08-2014
Isothermal crystallization kinetics of fly ash filled iso-polypropylene composite- and a new physical approach
Publisher: Springer Science and Business Media LLC
Date: 29-08-2009
A novel hybrid finite element model for modeling anisotropic composites
Publisher: Elsevier BV
Date: 02-2013
Application of GPU-DEM simulation on large-scale granular handling and processing in ironmaking related industries
Publisher: Elsevier BV
Date: 02-2020
Gold catalysts: A new insight into the molecular adsorption and CO oxidation
Publisher: Elsevier BV
Date: 12-2009
Promote cohesive solid flow in a screw feeder with new screw designs
Publisher: Elsevier BV
Date: 02-2020
On the relationship between porosity and interparticle forces
Publisher: Elsevier BV
Date: 02-2003
Application of periodic boundary conditions to CFD-DEM simulation of gas-solid flow in pneumatic conveying
Publisher: Elsevier BV
Date: 04-2013
Preparation of tetragonal barium titanate nanopowders by microwave solid-state synthesis
Publisher: Springer Science and Business Media LLC
Date: 26-03-2020
How to optimize design and operation of dense medium cyclones in coal preparation
Publisher: Elsevier BV
Date: 07-2014
Injection of COREX off-gas into ironmaking blast furnace
Publisher: Elsevier BV
Date: 02-2023
Particle dispersion in a horizontally vibrating vessel under microgravity
Publisher: Elsevier BV
Date: 2015
Iron and Steel Making in Australia and China - Special Issue for the 2nd Australia-China Joint Symposium of Minerals and Metallurgy
Publisher: Wiley
Date: 07-05-2015
Molecular Dynamics Simulation of Organic−Inorganic Nanocomposites: Layering Behavior and Interlayer Structure of Organoclays
Publisher: American Chemical Society (ACS)
Date: 14-11-2003
DOI: 10.1021/CM0342952
Structural, electrical and optical properties of indium tin oxide thin films prepared by RF sputtering using different density ceramic targets
Publisher: Elsevier BV
Date: 02-2012
Comments on Discrete particle-continuum fluid modelling of gas-solid fluidised beds by Kafui et al. Chemical Engineering Science 57 (2002) 2395-2410
Publisher: Elsevier BV
Date: 02-2004
Supercapacitive properties of Mn3O4 nanoparticles bio-synthesized from banana peel extract
Publisher: Royal Society of Chemistry (RSC)
Date: 2014
DOI: 10.1039/C4RA02603A
Computational investigation of slugging behaviour in gas-fluidised beds
Publisher: Elsevier BV
Date: 03-2002
Wear process during granular flow transportation in conveyor transfer
Publisher: Elsevier BV
Date: 2016
Fabrication and characteristics of BaTi0.85Sn0.15O3 thin films on tin doped indium oxide/glass substrate
Publisher: Elsevier BV
Date: 03-2013
Synthesis of polymer montmorillonite nanocomposites byin situintercalative polymerization
Publisher: IOP Publishing
Date: 19-08-2002
Gas-liquid-powder flow in moving particles: Operational and non-operational regimes
Publisher: Elsevier BV
Date: 11-1999
Micromechanical analysis of flow behaviour of fine ellipsoids in gas fluidization
Publisher: Elsevier BV
Date: 05-2017
Computational study of flow regimes in vertical pneumatic conveying
Publisher: American Chemical Society (ACS)
Date: 16-06-2009
DOI: 10.1021/IE900230S
Influence of several factors on the growth of selenium nanowires induced by silver nanoparticles
Publisher: Springer Science and Business Media LLC
Date: 03-08-2008
Special Issue Multiscale Modeling and Simulation of Complex Particulate Systems Foreword
Publisher: Elsevier BV
Date: 08-2011
Discrete particle simulation of solid flow in a model blast furnace
Publisher: Iron and Steel Institute of Japan
Date: 2005
Formation of ultrafine three-dimensional hierarchical birnessite-type MnO2 nanoflowers for supercapacitor
Publisher: Elsevier BV
Date: 09-2014
CFD–DEM study of the effect of particle density distribution on the multiphase flow and performance of dense medium cyclone
Publisher: Elsevier BV
Date: 10-2009
Micromechanic modeling and analysis of unsteady-state granular flow in a cylindrical hopper
Publisher: Springer Netherlands
Date: 2005
Effect of slurry properties on particle motion in IsaMills
Publisher: Elsevier BV
Date: 10-2009
Computer simulation of the packing of particles
Publisher: Inderscience Publishers
Date: 2003
Numerical Investigation of the Inner Profiles of Ironmaking Blast Furnaces: Effect of Throat-to-Belly Diameter Ratio
Publisher: Springer Science and Business Media LLC
Date: 17-10-2017
Coupled simulation and deep-learning prediction of combustion and heat transfer processes in supercritical CO2 CFB boiler
Publisher: Elsevier BV
Date: 2022
Effects of blade rake angle and gap on particle mixing in a cylindrical mixer
Publisher: Elsevier BV
Date: 08-2009
Simulation of particle deformation within a compressed packed bed
Publisher: Elsevier BV
Date: 10-2017
Mesoporous Materials for Electrochemical Energy Storage and Conversion
Publisher: Wiley
Date: 12-08-2020
Gas-particle turbulent flow of foursquare tangential jets in a simplified pulverized-coal firing boiler
Publisher: Elsevier BV
Date: 06-2018
A novel method based on orientation discretization for discrete element modeling of non-spherical particles
Publisher: Elsevier BV
Date: 04-2015
CFD-DEM modelling of mixing of granular materials in multiple jets fluidized beds
Publisher: Elsevier BV
Date: 02-2020
Particle-Scale Study of Structural Transition of Solid Phase in Gas-Fluidized Beds
Publisher: American Chemical Society (ACS)
Date: 26-04-2017
Coordination number of binary mixtures of spheres
Publisher: IOP Publishing
Date: 21-02-1998
Microdynamic analysis of particle flow in a horizontal rotating drum
Publisher: Elsevier BV
Date: 02-2003
Modeling of the variations of permeate flux, concentration polarization, and solute rejection in nanofiltration system
Publisher: Wiley
Date: 13-12-2018
DOI: 10.1002/AIC.16475
Recent advances in studies of wet particle fluidization characteristics
Publisher: Elsevier BV
Date: 09-2022
A facile coating method to construct uniform porous α-Fe2O3@TiO2 core-shell nanostructures with enhanced solar light photocatalytic activity
Publisher: Elsevier BV
Date: 04-2018
Multiscale modeling and simulation of polymer nanocomposites
Publisher: Elsevier BV
Date: 02-2008
CFD-DEM modelling of multiphase flow in dense medium cyclones
Publisher: Elsevier BV
Date: 08-2009
Preparation of Monodispersed Tin‐Doped Indium Oxide Powders by Hydrothermal Method
Publisher: Wiley
Date: 17-03-2005
Computational simulation of air-side heat transfer and pressure drop performance in staggered mannered twisted oval tube bundle operating in crossflow
Publisher: Elsevier BV
Date: 03-2021
Shape optimization of conical hoppers to increase mass discharging rate
Publisher: Elsevier BV
Date: 02-2020
Mesoporous ZnMn2O4 Microtubules Derived from a Biomorphic Strategy for High-Performance Lithium/Sodium Ion Batteries
Publisher: American Chemical Society (ACS)
Date: 05-09-2018
Abstract: ZnMn
Finite element analysis of the contact forces between a viscoelastic sphere and rigid plane
Publisher: Elsevier BV
Date: 08-2012
A Method for Structural Analysis of Disordered Particle Systems
Publisher: AIP
Date: 2013
DOI: 10.1063/1.4811945
Effect of Blade Speed on Granular Flow and Mixing in a Cylindrical Mixer
Publisher: American Chemical Society (ACS)
Date: 06-05-2010
DOI: 10.1021/IE901581T
Discrete modelling of the packing of ellipsoidal particles
Publisher: AIP
Date: 2013
DOI: 10.1063/1.4811941
Analysis of Voronoi Clusters in the Packing of Uniform Spheres
Publisher: AIP
Date: 2013
DOI: 10.1063/1.4811940
Inorganic nanoparticles as carriers for efficient cellular delivery
Publisher: Elsevier BV
Date: 02-2006
Low Dimensional Silver Nanostructures: Synthesis, Growth Mechanism, Properties and Applications
Publisher: American Scientific Publishers
Date: 12-2010
Abstract: This work presents a review of the recent advances on the low-dimensional (LD) silver nanostructures (e.g., one-dimensional nanorods and nanowires, and two-dimensional nanoplates and nanodisks). First, the methods, either physical or chemical, for the synthesis of silver LD nanostructures are introduced. Then, the use is discussed of advanced experimental techniques (e.g., transmission electron microscope, high-resolution transmission electron microscope, scanning electron microscope, atomic force microscope, ultraviolet-visible and Raman spectra) and theoretical techniques at different time and length scales from quantum mechanics (e.g., ab initio simulation and density function theory) to molecular dynamics method for understanding the principles of governing particle growth, as well as discrete dipolar approximate method for understanding the optical properties of different shapes and sizes of silver LD nanostructures. Subsequently, the functional applications of the LD silver nanostructures in different areas such optical, electronic, and sensing, particularly for those related to surface plasma resonance are summarized based on the recent findings. Finally, some perspectives and comments for future investigation of silver nanostructures are also briefly discussed.
Design and construction of polymerized-glucose coated Fe3O4 magnetic nanoparticles for delivery of aspirin
Publisher: Elsevier BV
Date: 02-2013
The role of geometric constraints in random packing of non-spherical particles
Publisher: IOP Publishing
Date: 12-2010
A new point-locating algorithm under three-dimensional hybrid meshes
Publisher: Elsevier BV
Date: 11-2008
DEM investigation of the role of friction in mechanical response of powder compact
Publisher: Elsevier BV
Date: 09-2017
An analysis of the chaotic motion of particles of different sizes in a gas fluidized bed
Publisher: Elsevier BV
Date: 12-2008
DEM simulation of particle percolation in a packed bed
Publisher: Elsevier BV
Date: 12-2008
Model A vs. Model B in the modelling of particle-fluid flow
Publisher: Elsevier BV
Date: 04-2018
Molecular Dynamics Study on Metal-Deposited Iron Oxide Nanostructures and Their Gas Adsorption Behavior
Publisher: American Chemical Society (ACS)
Date: 28-03-2012
DOI: 10.1021/JP212139U
A process scaling approach for CFD-DEM modelling of thermochemical behaviours in moving bed reactors
Publisher: Elsevier BV
Date: 06-2020
PR-DNS on the momentum and heat transfer of a rotating ellipsoidal particle in a fluid
Publisher: Elsevier BV
Date: 08-2020
Interparticle force analysis on the packing of fine ellipsoids
Publisher: Elsevier BV
Date: 10-2017
Modeling of Blast Furnace with Layered Cohesive Zone
Publisher: Springer Science and Business Media LLC
Date: 05-01-2010
Role of Temperature in the Growth of Silver Nanoparticles Through a Synergetic Reduction Approach
Publisher: Springer Science and Business Media LLC
Date: 23-09-2011
DOI: 10.1007/S11671-010-9780-1
Abstract: This study presents the role of reaction temperature in the formation and growth of silver nanoparticles through a synergetic reduction approach using two or three reducing agents simultaneously. By this approach, the shape-/size-controlled silver nanoparticles (plates and spheres) can be generated under mild conditions. It was found that the reaction temperature could play a key role in particle growth and shape/size control, especially for silver nanoplates. These nanoplates could exhibit an intensive surface plasmon resonance in the wavelength range of 700–1,400 nm in the UV–vis spectrum depending upon their shapes and sizes, which make them useful for optical applications, such as optical probes, ionic sensing, and biochemical sensors. A detailed analysis conducted in this study clearly shows that the reaction temperature can greatly influence reaction rate, and hence the particle characteristics. The findings would be useful for optimization of experimental parameters for shape-controlled synthesis of other metallic nanoparticles (e.g., Au, Cu, Pt, and Pd) with desirable functional properties.
How stars are packed in the universe: A comparison with sphere packing
Publisher: Elsevier BV
Date: 03-2021
Discrete particle modeling of lateral jets into a packed bed and micromechanical analysis of the stability of raceways
Publisher: Wiley
Date: 21-06-2016
DOI: 10.1002/AIC.15358
Quasi-universality in the packing of uniform spheres under gravity
Publisher: Springer Science and Business Media LLC
Date: 02-2016
Discrete particle simulation of heterogeneous gas-solid flows in riser and downer reactors
Publisher: Elsevier BV
Date: 09-2020
How to generate valid local quantities of particle–fluid flows for establishing constitutive relations
Publisher: Wiley
Date: 21-06-2019
DOI: 10.1002/AIC.16690
Numerical study of gas-solid flow in the raceway of a blast furnace
Publisher: Wiley
Date: 09-2003
An Integration Mathematical Model for Ironmaking Blast Furnace
Publisher: Springer Science and Business Media LLC
Date: 13-07-2020
Theoretical Study of Growth Mechanism of Goethite in the Presence of Surfactants
Publisher: Trans Tech Publications, Ltd.
Date: 06-2010
DOI: 10.4028/WWW.SCIENTIFIC.NET/MSF.654-656.1658
Abstract: Goethite (α-FeOOH) nanorods could be prepared by a surfactant directed approach in aqueous solution at ambient conditions. In this approach, it is observed that the surfactants (e.g, cetyltrimethylammonium bromide (CTAB) and tetraethylamine chloride (TEAC)) play a key role in the growth of goethite nanorods under the reported conditions. The molecular dynamics (MD) method is used to understand the underlying principle governing particle formation and growth through the analysis of the interaction energies between the crystal surfaces and the surfactant molecules. The findings will be useful for understanding the growth mechanism of anisotropic particles and their surface coatings with heterogeneous materials for desired functional properties.
Application of DEM modelling to grinding processes
Publisher: IEEE
Date: 06-2015
Lattice Boltzmann investigation of the wake effect on the interaction between particle and power-law fluid flow
Publisher: Elsevier BV
Date: 02-2018
Effect of adhesion on aggregation in nanoparticle dispersions
Publisher: Informa UK Limited
Date: 12-07-2007
Determination of Interphase Thickness and Mechanical Properties of Effective Nanofillers in Polymer Nanocomposites by Molecular Dynamic Simulation
Publisher: Trans Tech Publications, Ltd.
Date: 06-2010
DOI: 10.4028/WWW.SCIENTIFIC.NET/MSF.654-656.1654
Abstract: The properties of interphase in polymer composites are often different from those of bulk polymer matrix, which may include chemical, physical, microstructural, and mechanical properties. The nature of interphase is critical to the overall properties and performance of polymer materials, in particular in nanofiller reinforced composites. Experimental efforts have been made to determine the effective interphase thickness and its properties, for ex le, by nanoindentation and nanoscratch techniques. Yet, it is very difficult to quantify the interphase and its properties because of its nanoscale nature and the unclear boundary. In this regard, computer simulation, e.g., molecular dynamics, provides an effective tool to characterize such interphase and the properties. In this work, molecular dynamics simulations are applied to quantify the interphase thickness in clay-based polymer nanocomposites. Then, the mechanical properties of the so-called effective nanofiller (i.e., the physical size of nanofiller plus the thickness of interphase) will be determined by a series of simulations.
Computational fluid dynamics (CFD) investigation of the gas-solid flow and performance of Andersen cascade impactor
Publisher: Elsevier BV
Date: 11-2015
Voronoi analysis of the packings of non-spherical particles
Publisher: Elsevier BV
Date: 10-2016
Experimental and numerical investigations of gouge formation related to blast furnace burden distribution
Publisher: Elsevier BV
Date: 10-2009
Computational Study of Gas-Solid Flow in a Horizontal Stepped Pipeline
Publisher: Hindawi Limited
Date: 15-09-2019
DOI: 10.1155/2019/2545347
Abstract: In this paper, the mechanism governing the particle-fluid flow characters in the stepped pipeline is studied by the combined discrete element method (DEM) and computational fluid dynamics (CFD) model (CFD-DEM) and the two fluid model (TFM). The mechanisms governing the gas-solid flow in the horizontal stepped pipeline are investigated in terms of solid and gas velocity distributions, pressure drop, process performance, the gas-solid interaction forces, solid-solid interaction forces, and the solid-wall interaction forces. The two models successfully capture the key flow features in the stepped pipeline, such as the decrease of gas velocity, solid velocity, and pressure drop, during and after the passage of gas-solid flow through the stepped section. What is more important, the reason of the appearance of large size solid dune and pressure surge phenomena suffered in the stepped pipeline is investigated macroscopically and microscopically. The section in which the blockage problem most likely occurs in the stepped pipeline is confirmed. The pipe wall wearing problem, which is one of the most common and critical problems in pneumatic conveying system, is analysed and investigated in terms of interaction forces. It is shown that the most serious pipe wall wearing problem happened in the section which is just behind the stepped part.
Effect of particle properties on particle percolation behaviour in a packed bed
Publisher: Elsevier BV
Date: 10-2009
A combined experimental and DEM approach to determine the breakage of particles in an impact mill
Publisher: Elsevier BV
Date: 08-2017
Pore-Scale Study of Fluid Flow and Drag Force in Randomly Packed Beds of Different Porosities
Publisher: American Chemical Society (ACS)
Date: 05-03-2019
Minimum fluidization velocity of particles with different size distributions at elevated pressures and temperatures
Publisher: Elsevier BV
Date: 04-2020
A STUDY OF PARTICLE-SIZE DISTRIBUTIONS
Publisher: Elsevier BV
Date: 08-1990
Modelling of gas-powder flow in a blast furnace
Publisher: Wiley
Date: 10-2003
Lattice-Boltzmann computation of hydraulic pore-to-pore conductance in packed beds of uniform spheres
Publisher: Elsevier BV
Date: 10-2020
An experimental study of packing of ellipsoids under vibrations
Publisher: Elsevier BV
Date: 08-2020
Effects of disc rotation speed and media loading on particle flow and grinding performance in a horizontal stirred mill
Publisher: Elsevier BV
Date: 09-2010
Ab initio study of phase stability in doped TiO2
Publisher: Springer Science and Business Media LLC
Date: 24-05-2012
Preparation of monodispersed tin-doped indium oxide nanopowders under moderate conditions
Publisher: Elsevier BV
Date: 2005
Preparation and properties of high-density Bi2O3 ceramics by cold sintering
Publisher: Elsevier BV
Date: 06-2020
POROSITY CALCULATIONS OF MULTICOMPONENT MIXTURES OF SPHERICAL-PARTICLES
Publisher: Elsevier BV
Date: 10-1987
Discrete particle simulation of particulate systems: Theoretical developments
Publisher: Elsevier BV
Date: 07-2007
A DEM based scale-up model for tumbling ball mills
Publisher: Elsevier BV
Date: 09-2022
Topologically close-packed characteristic of amorphous tantalum
Publisher: Royal Society of Chemistry (RSC)
Date: 2018
DOI: 10.1039/C8CP05897K
Abstract: The structural evolution of tantalum during rapid cooling was investigated extensively, and its strong GFA originates from the intrinsic topologically close-packed structures that are ubiquitous in metallic melts and possible the essential units in metallic glasses.
Experimental and theoretical study on the beta-FeOOH nanorods: growth and conversion
Publisher: Springer Science and Business Media LLC
Date: 18-03-2011
Computational studies on interparticle forces between nanoellipsoids
Publisher: Royal Society of Chemistry (RSC)
Date: 13-08-2014
DOI: 10.1039/C4RA06809B
Effect of Bed Thickness on the Segregation Behavior of Particle Mixtures in a Gas Fluidized Bed
Publisher: American Chemical Society (ACS)
Date: 25-02-2010
DOI: 10.1021/IE901478A
Influence of Operating Parameters on Raceway Properties in a Model Blast Furnace Using a Two-Fluid Model
Publisher: American Chemical Society (ACS)
Date: 04-04-2013
DOI: 10.1021/IE301936R
Ordered packing of uniform spheres via random packing protocol
Publisher: Elsevier BV
Date: 09-2022
The effects of wall and rolling resistance on the couple stress of granular materials in vertical flow
Publisher: Elsevier BV
Date: 07-2003
Numerical simulation of the gas-solid flow in a fluidized bed by combining discrete particle method with computational fluid dynamics
Publisher: Elsevier BV
Date: 08-1997
Ferromagnetism in ZnO:Co originating from a hydrogenated Co-O-Co complex
Publisher: IOP Publishing
Date: 14-02-2013
DOI: 10.1088/0953-8984/25/11/116002
Abstract: The effects of hydrogen interstitials and oxygen vacancies on the overall ferromagnetic behaviour of Co doped ZnO (ZnO:Co) have been closely examined using different density functional calculations. The results demonstrate the importance of correcting the bandgap problem of the ZnO host as well as the lack of correlation in Co's 3d states which can severely affect the coupling of H and Co's impurity bands. Our results show that in hydrogenated ZnO:Co, hydrogen interstitial can also stabilize the ferromagnetic interaction at low Co concentrations, but this requires the formation of the in-plane O-H-Co-O-Co complex. In this structure, the hydrogen interstitial forms an anionic complex with the neighbouring oxygen, which polarizes the surrounding oxygen to mediate the ferromagnetism through the superexchange mechanism. An oxygen vacancy by itself would not cause ferromagnetism in ZnO:Co. On the other hand, in the presence of hydrogen interstitials, oxygen vacancies can significantly enhance the magnetic coupling between H and Co-O-Co as a shallow donor if it is far away from the in-plane O-H-Co-O-Co complex. However, the total energy results show that this is much more favoured when the oxygen vacancy is near the in-plane O-H-Co-O-Co complex, which can inhibit the ferromagnetic interaction between Co ions.
Deposition of gold nanoparticles on β-FeOOH nanorods for detecting melamine in aqueous solution
Publisher: Elsevier BV
Date: 02-2012
DOI: 10.1016/J.JCIS.2011.10.024
Abstract: This study demonstrates a facile but efficient approach to deposit metallic (gold) nanoparticles on β-FeOOH nanorods to obtain Au/β-FeOOH nanocomposites without the assistance of any polymers or surfactants at ambient conditions. In this method, a strong reducing agent (NaBH(4)) can be used to extensively produce Au nanoparticles, converting β-FeOOH into Fe(3)O(4) and depositing gold particles onto magnetic Fe(3)O(4) simultaneously. The microstructure, composition, and chemical properties of the obtained nanocomposites are characterized by various advanced techniques, including transmission electron microscopy (TEM), scanning electron microscopy (SEM), X-ray diffraction (XRD), and UV-vis spectroscopy. Moreover, the Au/β-FeOOH nanocomposite can be used to detect trace melamine using UV spectrum in the ultraviolet wavelength range (190-260 nm), in which the nanocomposites show a higher sensitivity toward melamine due to the promotion of symmetry-forbidden bands (n→π(*)) of melamine molecules and also avoid the disturbance of commercial products containing solid colloids or food colorings that distort visual spectrum during the detection of chemical sensing. The deposition mechanisms and their sensing detection toward melamine are discussed.
Study of dynamic mechanical properties and morphological behaviours of fly ash reinforced polypropylene composites
Publisher: Springer Science and Business Media LLC
Date: 04-2011
Particle scale studies of heat transfer in a moving bed
Publisher: Elsevier BV
Date: 09-2015
Binary Lithium Titanate-Titania Nanocomposite Thin-Film Electrodes for Electrochemical Energy Storage
Publisher: Wiley
Date: 08-04-2016
Numerical Analysis of Titanium Compounds in Blast Furnace Hearth During Titania Addition
Publisher: Wiley
Date: 03-01-2015
Experimental and numerical investigation on the packing of binary mixtures of spheres and ellipsoids
Publisher: Elsevier BV
Date: 2020
The effect of interparticle cohesion on powder mixing in a ribbon mixer
Publisher: Wiley
Date: 24-11-2015
DOI: 10.1002/AIC.15101
Flow and Mixing of Cohesive Particles in a Vertical Bladed Mixer
Publisher: American Chemical Society (ACS)
Date: 03-03-2014
DOI: 10.1021/IE403877V
CFD-DEM study on cohesive particles in a spouted bed
Publisher: Elsevier BV
Date: 06-2017
Enhanced gas sensing performance based on the fabrication of polycrystalline Ag@TiO2 core-shell nanowires
Publisher: Elsevier BV
Date: 05-2019
Numerical modeling and analysis of particle-fluid flow and wall erosion in centrifugal slurry pumps under different solid concentrations
Publisher: Elsevier BV
Date: 09-2022
Selecting the suitable dopants: Electronic structures of transition metal and rare earth doped thermoelectric sodium cobaltate
Publisher: Royal Society of Chemistry (RSC)
Date: 2013
DOI: 10.1039/C2RA22514J
Electronic Structure of Bilayer (Fe, Ni) Metallic alpha-Al2O3(0001) Catalysts Towards CH4 Adsorption and Dissociation
Publisher: Trans Tech Publications, Ltd.
Date: 06-2010
DOI: 10.4028/WWW.SCIENTIFIC.NET/MSF.654-656.2747
Abstract: Density functional theory calculations are performed on the monometallic (Fe or Ni) bilayer modified α-Al2O3(0001) surface. Comparison has been made to their structural and electronic behaviors upon CH4 adsorption and dissociation. Local density of states and frontier orbital analysis show that C-H activation proceeds through weak chemical interactions with the metallic 3d electrons. It was found that electron transport within the sp and 3d type orbitals of the catalyst is important for the equilibration of the system. Such electron transport also promotes electron donation to the σ*(C-H) antibonding orbital for C-H bond activation. The calculated adsorption energies showed that the CH+H intermediate is most stable on the Fe/α-Al2O3 catalyst and is suspect to deactivation via carburization. Furthermore, C-H bond activation is most pronounced in cases where the CH4 molecule has one or two H atoms directed towards the catalyst surface.
Preparation and characterisation of porous lithium titanate thin film by magnetron sputtering
Publisher: Informa UK Limited
Date: 11-2015
Numerical investigation of granular flow in a shear cell
Publisher: AIP
Date: 2013
DOI: 10.1063/1.4811985
Quantification of the relationship between porosity and interparticle forces for the packing of wet uniform spheres
Publisher: Elsevier BV
Date: 11-2000
Theoretical Evaluation on Merits of the Processes of Gas‐Based Shaft Furnace with Top Gas Recycling
Publisher: Wiley
Date: 29-07-2015
Optical performances of mono‐dispersed spherical YAG:Ce3+ nano‐phosphor achieved by one‐pot synthesis
Publisher: Wiley
Date: 11-12-2017
DOI: 10.1111/JACE.15363
Co-firing of coal and biomass under pressurized oxy-fuel combustion mode: Experimental test in a 10 kWth fluidized bed
Publisher: Elsevier BV
Date: 03-2022
Molecular understanding of the deposition of gold nanoclusters on TiO2(110)
Publisher: AIP Publishing
Date: 10-03-2008
DOI: 10.1063/1.2896610
Abstract: The deposition of gold nanoclusters on rutile TiO2(110) surface is investigated by molecular dynamics simulation, with special reference to the effects of surface defect types (i.e., point, step, and groove) and deposition temperature. The results show that gold nanoclusters can be strongly attracted to the surface and a higher degree of defect results in a stronger attractive interaction. In addition, the aggregation behavior of gold nanoclusters is studied by simulation and experiment. The results indicate that the aggregation can be effectively controlled by introducing suitable surface defects or adding citrate ions into the solution. The findings are useful to the design and fabrication of supported Au–TiO2 catalysts with high catalytic activity.
Gas-solid flow and heat transfer in fluidized beds with tubes: Effects of material properties and tube array settings
Publisher: Elsevier BV
Date: 08-2016
Simulation of Turbulent Flow in a Packed Bed
Publisher: Wiley
Date: 05-2006
Optimised curved hoppers with maximum mass discharge rate – an experimental study
Publisher: Elsevier BV
Date: 2021
Simple controllable foam structure NiCo2S4 for high-performance hybrid supercapacitors
Publisher: Elsevier BV
Date: 02-2022
Investigation of gas response of α-Fe2 O3 (Sn)-based gas sensor
Publisher: Springer Science and Business Media LLC
Date: 1999
Experiment and theoretical study of poly(vinyl pyrrolidone)-controlled gold nanoparticles
Publisher: American Chemical Society (ACS)
Date: 12-09-2008
DOI: 10.1021/JP803935Y
Solvothermal synthesis of ZnO-decorated alpha-Fe2O3 nanorods with highly enhanced gas-sensing performance toward n-butanol
Publisher: Royal Society of Chemistry (RSC)
Date: 2014
DOI: 10.1039/C4TA01837K
Abstract: A facile solvothermal method has been developed for the synthesis of α-Fe 2 O 3 /ZnO nanocomposites that show enhanced sensitivity, selectivity and fast response–recovery toward n -butanol at a working temperature of 225 °C.
One approximate generic equation for calculating inter-nanoparticle forces
Publisher: Elsevier BV
Date: 06-2017
Special issue on conveying and handling of particulate solids – Challenges of discrete element simulation, application and calibration
Publisher: Elsevier BV
Date: 02-2014
Radical tessellation of the packing of ternary mixtures of spheres
Publisher: Elsevier BV
Date: 07-2012
CFD-DEM Study of Heat Transfer in the Reduction Shaft of Corex
Publisher: Wiley
Date: 12-05-2015
DEM investigation of heat transfer in a drum mixer with lifters
Publisher: Elsevier BV
Date: 06-2017
Numerical Investigation of Burden Distribution in a Blast Furnace
Publisher: Wiley
Date: 20-04-2015
Process model of vibrating screen based on DEM and physics-informed machine learning
Publisher: Elsevier BV
Date: 09-2022
DEM simulation of cubical particle packing under mechanical vibration
Publisher: Elsevier BV
Date: 06-2017
Discrete modelling of the compaction of non-spherical particles using a multi-sphere approach
Publisher: Elsevier BV
Date: 03-2018
A new correlation for heat transfer in particle-fluid beds
Publisher: Elsevier BV
Date: 12-2021
A contribution to the stability of nonholonomic systems
Publisher: Elsevier BV
Date: 09-2002
Dual-Phase Transformation: Spontaneous Self-Template Surface-Patterning Strategy for Ultra-transparent VO2 Solar Modulating Coatings
Publisher: American Chemical Society (ACS)
Date: 28-12-2016
Abstract: Dual-phase transformation has been developed as a template-free surface patterning technique in this study. Ordered VO
Understand solids loading effects in a dense medium cyclone: Effect of particle size by a CFD-DEM method
Publisher: Elsevier BV
Date: 10-2017
Numerical investigation of deposition mechanism in three mouth–throat models
Publisher: Elsevier BV
Date: 2021
Calculation of Normal Contact Forces between Silica Nanospheres
Publisher: American Chemical Society (ACS)
Date: 03-06-2013
DOI: 10.1021/LA401087J
Abstract: In this work, interaction forces between two silica nanospheres after contact, including the van der Waals (vdW) attraction, Born repulsion, and mechanical contact forces are studied by molecular dynamics (MD) simulations. The effects of interaction path (approach or departure), initial relative velocity, and relative orientations of two nanospheres are first examined. The results show that the interparticle forces are, to a large degree, independent of these variables. Then, emphasis is given to other important variables. At a small contact deformation, the size dependence of the vdW attraction and Born repulsion qualitatively agrees with the prediction based on the conventional theories, but this becomes vague upon further deformation due to the gradually flattened shape of deformed particles. An alternative approach is provided to calculate the interparticle vdW attraction and Born repulsion forces. Moreover, the MD simulations show that the Hertz model still holds to describe the mechanical contact force at low compression, which is obtained by subtracting the vdW attraction and Born repulsion forces from the total normal force. Comparisons with the Johnson-Kendall-Roberts (JKR) and Derjaguin-Muller-Toporov (DMT) models, in terms of force-displacement relationships and contact radius, show that the two models can be used to provide the first approximation, but there is some deviation from the MD simulated results. The origins of the quantitative difference are analyzed. New equations are formulated to estimate the interaction forces between silica nanospheres, which should be useful in the dynamic simulation of silica nanoparticle systems.
CFD-DEM simulation of drying of food grains with particle shrinkage
Publisher: Elsevier BV
Date: 02-2019
CFD study of in-furnace phenomena of pulverised coal injection in blast furnace: Effects of operating conditions
Publisher: Elsevier BV
Date: 06-2012
Force Propagation of Flow of Granular Materials through an Orifice in Start up Stage
Publisher: Trans Tech Publications, Ltd.
Date: 12-2012
DOI: 10.4028/WWW.SCIENTIFIC.NET/AMM.249-250.807
Abstract: In this paper, early stage of granular materials flowing through the orifice of a cuboid hopper with flat bottom is investigated based on the results generated by using the discrete element method. The results show that in the start up stage of the flow, a switch curve is formed between static and flowing particles, and a force arch on which the forces are very small is generated below the switch curve. Both curves propagate into the granular bed with the discharge of particles, and reach the top of the bed when a steady state is achieved.
Particle–pore scale modelling of particle–fluid flows
Publisher: Elsevier BV
Date: 05-2021
Steady-state granular flow in a three-dimensional cylindrical hopper with flat bottom: microscopic analysis
Publisher: IOP Publishing
Date: 29-04-2004
DEM investigation of energy distribution and particle breakage in tumbling ball mills
Publisher: Elsevier BV
Date: 06-2012
Numerical simulation of solid flow and segregation in a blast furnace by coupling granular rheology and transport equation
Publisher: Elsevier BV
Date: 10-2021
Optical Performances of YAG:Re3+ (Re = Ce, Eu) Phosphor Films with Co-Doping Tb3+ as Energy-Transfer Sensitizer
Publisher: Wiley
Date: 19-01-2016
DOI: 10.1111/JACE.14098
Laboratory-scale validation of a DEM model of screening processes with circular vibration
Publisher: Elsevier BV
Date: 12-2016
Discrete Particle Simulation of Gas-solid Flow in a Cyclone Separator
Publisher: AIP
Date: 2010
DOI: 10.1063/1.3366428
Computational study of heat transfer in a bubbling fluidized bed with a horizontal tube
Publisher: Wiley
Date: 20-07-2012
DOI: 10.1002/AIC.12700
GPU-based DEM simulation for scale-up of bladed mixers
Publisher: Elsevier BV
Date: 04-2021
Experimental study of the packing of mono-sized spheres subjected to one-dimensional vibration
Publisher: Elsevier BV
Date: 11-2009
Experimental and numerical investigation of particle size and particle strength reduction in high pressure grinding rolls
Publisher: Elsevier BV
Date: 09-2022
A combined TLBM–IBM–DEM scheme for simulating isothermal particulate flow in fluid
Publisher: Elsevier BV
Date: 12-2015
“Molecular Dynamics Simulation of the Structural and Dynamic Properties of Dioctadecyldimethyl Ammoniums in Organoclays”
Publisher: American Chemical Society (ACS)
Date: 19-01-2005
DOI: 10.1021/JP051001M
Numerical Investigation of Hydrocyclone Feed Inlet Configurations for Mitigating Particle Misplacement
Publisher: American Chemical Society (ACS)
Date: 07-08-2019
Computational study of the multiphase flow in a dense medium cyclone: Effect of particle density
Publisher: Elsevier BV
Date: 05-2012
Numerical studies of the effects of medium properties in dense medium cyclone operations
Publisher: Elsevier BV
Date: 10-2009
Liquid maldistribution in particulate paste extrusion
Publisher: Elsevier BV
Date: 07-1999
DEM simulation of cake formation in sedimentation and filtration
Publisher: Elsevier BV
Date: 10-2009
Lattice-Boltzmann simulation of fluid flow through packed beds of spheres: Effect of particle size distribution
Publisher: Elsevier BV
Date: 09-2014
Scaling up studies for mixing of granular materials in rotating drums
Publisher: Elsevier BV
Date: 05-2022
Prediction of ball milling performance by a convolutional neural network model and transfer learning
Publisher: Elsevier BV
Date: 05-2022
Regime transitions of granular flow in a shear cell: A micromechanical study
Publisher: American Physical Society (APS)
Date: 10-09-2013
Surface-coated fly ash reinforced biodegradable poly(vinyl alcohol) composite films: Part 2-analysis and characterization
Publisher: Elsevier BV
Date: 12-2010
DEM simulation of particle flow on a multi-deck banana screen
Publisher: Elsevier BV
Date: 10-2009
Optimization of coal grind for maximum bulk density
Publisher: Elsevier BV
Date: 11-1991
Young's modulus of effective clay clusters in polymer nanocomposites
Publisher: Elsevier BV
Date: 08-2012
Hydrogen generation from a catalytic water gas shift reaction under microwave irradiation
Publisher: Elsevier BV
Date: 09-2008
Numerical study of the effect of vortex finder configuration in dense medium cyclones
Publisher: AIP
Date: 2010
DOI: 10.1063/1.3366430
Numerical simulation of solids flow in a blast furnace
Publisher: Elsevier BV
Date: 02-2002
Experimental and numerical investigation of the effect of buoyancy force on solid flow
Publisher: Elsevier BV
Date: 08-2003
Effect of Particle Characteristics on the Solids Density of Bayer Mud Slurries
Publisher: Wiley
Date: 03-2013
Glycothermal synthesis of urchin-like vanadium pentoxide nanostructure for gas sensing
Publisher: IEEE
Date: 08-2013
Effects of mechanical impaction on aerosol performance of particles with different surface roughness
Publisher: Elsevier BV
Date: 02-2013
Dynamic simulation of the packing of ellipsoidal particles
Publisher: American Chemical Society (ACS)
Date: 19-07-2011
DOI: 10.1021/IE200862N
Study on the COREX Melter Gasifier Zones Using Temperature Gradient
Publisher: Trans Tech Publications, Ltd.
Date: 07-2011
DOI: 10.4028/WWW.SCIENTIFIC.NET/AMR.284-286.1184
Abstract: A physical thermal model was established in this study, and the gas temperature in the model was measured with temperature sensors under different experimental conditions. The results show that the packed bed, cohesive zone, dripping zone and raceway in melter gasifier can be roughly distinguished by temperature gradient analysis along the vertical direction. The changes of different zones in the COREX melter gasifier were also investigated in this paper under different operation conditions.
Characterization of Coal Burnout in the Raceway of an Ironmaking Blast Furnace
Publisher: Wiley
Date: 28-01-2015
Numerical Analysis of Effects of Specularity Coefficient and Restitution Coefficient on the Hydrodynamics of Particles in a Rotating Drum
Publisher: MDPI AG
Date: 15-01-2022
DOI: 10.3390/PR10010167
Abstract: Various simulations have been conducted to understand the macroscopic behavior of particles in the solid-gas flow in rotating drums in the past. In these studies, the no-slip wall boundary condition and fixed restitution coefficient between particles were usually adopted. The paper presents a numerical study of the gas-solid flow in a rotating drum to understand the effect of the specularity coefficient and restitution coefficient on the hydrodynamic behavior of particles in the segregation process. The volume fraction, granular pressure, granular temperature and their relationships are examined in detail. The boundary conditions of the no-slip and specularity coefficient of 1 are compared. In the simulations, two different sizes of particles with the same density are considered and the Eulerian–Eulerian multiphase model and the kinetic theory of granular flow (KTGF) are used. The results reveal that the hydrodynamical behavior of the particles in the rotating drum is affected by the boundary condition and restitution coefficient. In particular, the increase of specularity coefficient can increase the active region depth, angle repose, granular pressure for both small and large particles and granular temperature for large particles. With increasing restitution coefficient, the angle of repose decreases and granular pressure and temperature increase at the same volume fraction for both small and large particles.
Multi-objective optimization of hydrocyclone by combining mechanistic and data-driven models
Publisher: Elsevier BV
Date: 07-2022
Quantification of the mechanisms governing the packing of iron ore fines
Publisher: Elsevier BV
Date: 10-2006
CFD-DEM study of particle-fluid flow and retention performance of sand screen
Publisher: Elsevier BV
Date: 2021
Process modelling of low temperature electrostatic precipitators
Publisher: Elsevier BV
Date: 06-2017
A combined data-driven and discrete modelling approach to predict particle flow in rotating drums
Publisher: Elsevier BV
Date: 02-2021
Particle scale simulation of softening-melting behaviour of multiple layers of particles in a blast furnace cohesive zone
Publisher: Elsevier BV
Date: 07-2015
Soft-sensors for prediction of impact energy in horizontal rotating drums
Publisher: Elsevier BV
Date: 11-2009
A three-phase model for simulation of heat transfer and melt pool behaviour in laser powder bed fusion process
Publisher: Elsevier BV
Date: 03-2021
A coupled FEM/DEM model for pipe conveyor systems: Analysis of the contact forces on belt
Publisher: Elsevier BV
Date: 06-2017
A Transient Discrete Element Method-Based Virtual Experimental Blast Furnace Model
Publisher: Wiley
Date: 16-04-2020
Finite element investigation of granular dynamics in a split-bottom shear cell
Publisher: Elsevier BV
Date: 06-2017
DEM simulation of the flow of grinding media in IsaMill
Publisher: Elsevier BV
Date: 08-2006
Three-Dimensional Modeling of Flow and Thermochemical Behavior in a Blast Furnace
Publisher: Springer Science and Business Media LLC
Date: 02-10-2014
110th Anniversary: Continuum Modeling of Granular Mixing in a Rotating Drum
Publisher: American Chemical Society (ACS)
Date: 18-09-2019
Numerical analysis of the heterogeneous gas-solid flow in fluidized beds
Publisher: Elsevier BV
Date: 11-2009
Weak d 0 magnetism in C and N doped ZnO
Publisher: AIP Publishing
Date: 15-12-2011
DOI: 10.1063/1.3669491
Abstract: We present an ab initio study of carbon and nitrogen substituting oxygen in zinc oxide structure. Detailed spin-polarized total-energy calculations of the various defect and dopant at different charge states and geometries indicate a non-zero spin magnetic moment only found from the CO-2 while NO shows no sign of localized magnetic moment. It is also revealed that CO has a tendency towards forming C2 complexes inside the ZnO structure with very weak antiferromagnetic spin arrangement. Furthermore, it was found that oxygen vacancy and hydrogen interstitial could not induce ferromagnetism in C doped ZnO.
Preface to Multiscale Structures and Systems in Process Engineering Special Issue
Publisher: American Chemical Society (ACS)
Date: 21-08-2013
DOI: 10.1021/IE4018463
Particle scale study of heat transfer in packed and bubbling fluidized beds
Publisher: Wiley
Date: 11-03-2009
DOI: 10.1002/AIC.11823
Size segregation of granular materials during Paul-Wurth hopper charging and discharging process
Publisher: Elsevier BV
Date: 2021
An assessment of the mathematical models for estimating the coordination number of the packing of multisized particles
Publisher: Elsevier BV
Date: 02-2021
Averaging method of granular materials
Publisher: American Physical Society (APS)
Date: 23-08-2002
Discrete particle simulation of particle flow in the IsaMill process
Publisher: American Chemical Society (ACS)
Date: 28-07-2006
DOI: 10.1021/IE060474S
Freezing structures of free silver nanodroplets: A molecular dynamics simulation study
Publisher: Elsevier BV
Date: 04-2009
Analysis of the packing structure of wet spheres by Voronoi-Delaunay tessellation
Publisher: Springer Science and Business Media LLC
Date: 07-08-2007
Experimental study on conveying characteristics of a novel top-discharge blow tank for fine cohesive powders
Publisher: Elsevier BV
Date: 02-2021
Hybrid Ag@TiO2 core–shell nanostructures with highly enhanced photocatalytic performance
Publisher: IOP Publishing
Date: 17-09-2013
DOI: 10.1088/0957-4484/24/41/415601
Abstract: A new synthetic approach has been developed to prepare silver@titanium dioxide (Ag@TiO2) core-shell nanostructures with controllable size, shape, crystal phase and function at ambient conditions (e.g. in water, ≤100 ° C). This approach shows a few unique features, including short reaction time (a few minutes) for forming core-shell nanostructures, no requirement of high temperature calcinations for generating TiO2 (e.g. at ~100 ° C in our case), tunable TiO2 shell thickness, high yield and good reproducibility. The experimental results show that the Ag@TiO2 core-shell nanostructures exhibit excellent photocatalytic activity compared to the commercial TiO2 (P25) and Ag-doped TiO2 nanocomposite in the degradation of organic dye molecules (e.g. methyl orange) with ultraviolet (UV) irradiation. This could be attributed to the large surface area of TiO2 nanoparticles for maximum harvesting of UV light, mixed anatase and rutile crystalline phases in the TiO2 shell and the effective charge separation between Ag and TiO2 that can reduce the possible recombination of electron-hole (e(-)-h(+)) pairs within TiO2 generated under UV radiation. To further understand the charge separation situation within Ag-TiO2 composites, theoretical simulation (e.g. density functional theory, DFT) was employed in this study. The DFT simulation results indicate that for the Ag@TiO2 core-shell nanostructures, photo-generated electrons transfer readily from the external TiO2 layer to the internal Ag layer with heavy accumulation compared to those doping Ag on TiO2 surfaces, which may reduce the recombination of e(-)-h(+) pairs and thus enhance the photocatalytic efficiency. The findings may open a new strategy to synthesize TiO2-based photocatalysts with highly enhanced efficiency for environmental remediation applications.
Single-crystalline alpha-MoO3 microbelts derived from a bio-templating method for superior lithium storage application
Publisher: Elsevier BV
Date: 05-2014
Experimental Studies of Gas-Liquid-Powder Flow in Moving Particles
Publisher: Wiley
Date: 02-2004
DEM simulation on the packing of fine ellipsoids
Publisher: Elsevier BV
Date: 12-2016
Microdynamic analysis of the particle flow in a cylindrical bladed mixer
Publisher: Elsevier BV
Date: 03-2004
Numerical study of the effects of particle size and polydispersity on the agglomerate dispersion in a cyclonic flow
Publisher: Elsevier BV
Date: 11-2010
Structural and electric properties of BaSn0.15Ti0.85O3 films on ITO/glass substrate by RF sputtering from powder target
Publisher: Elsevier BV
Date: 02-2015
Modelling the Multiphase Flow in Dense Medium Cyclones
Publisher: SAGE Publications
Date: 12-2010
DOI: 10.1260/1757-482X.2.4.249
Abstract: Dense medium cyclone (DMC) is widely used in mineral industry to separate solids by density. It is simple in design but the flow pattern within it is complex due to the size and density distributions of the feed and process medium solids, and the turbulent vortex formed. Recently, the so-called combined computational fluid dynamics (CFD) and discrete element method (DEM) (CFD-DEM) was extended from two-phase flow to model the flow in DMCs at the University of New South Wales (UNSW). In the CFD-DEM model, the flow of coal particles is modelled by DEM and that of medium flow by CFD, allowing consideration of medium-coal mutual interaction and particle-particle collisions. In the DEM model, Newton's laws of motion are applied to in idual particles, and in the CFD model the local-averaged Navier-Stokes equations combined with the volume of fluid (VOF) and mixture multiphase flow models are solved. The application to the DMC studies requires intensive computational effort. Therefore, various simplified versions have been proposed, corresponding to the approaches such as Lagrangian particle tracking (LPT) method where dilute phase flow is assumed so that the interaction between particles can be ignored, one-way coupling where the effect of particle flow on fluid flow is ignored, and the use of the concept of parcel particles whose properties are empirically determined. In this paper, the previous works on the modelling of DMCs at UNSW are summarized and the features and applicability of the models used are discussed.
Molecular dynamics simulations of organoclays and polymer nanocomposites
Publisher: Inderscience Publishers
Date: 2008
The interlayer swelling and molecular packing in organoclays
Publisher: Elsevier BV
Date: 12-2005
DOI: 10.1016/J.JCIS.2005.06.024
Abstract: Understanding the interlayer swelling and molecular packing in organoclays is important to the formation and design of polymer nanocomposites. This paper presents recent experimental and molecular simulation studies on a variety of organoclays that show a linear relationship between the increase of d-spacing and the mass ratio between organic and clay. A denser molecular packing is observed in organoclays containing surfactants with hydroxyl-ethyl units. Moreover, our simulation results show that the head (nitrogen) groups are essentially tethered to the clay surface while the long hydrocarbon chains tend to adopt a layering structure with disordered conformation, which contrasts with the previous assumptions of either the chains lying parallel to the clay surface or being tilted at rather precise angles.
Effect of vibration mode on self-assembly of granular spheres under three-dimensional vibration
Publisher: Elsevier BV
Date: 03-2021
Lattice Boltzmann investigation on fluid flows through packed beds: Interaction between fluid rheology and bed properties
Publisher: Elsevier BV
Date: 06-2020
Characterization of the porosity-pressure relation of cohesionless powders
Publisher: Elsevier BV
Date: 1993
Molecular dynamics simulation of microstructure transitions in a large-scale liquid metal Al system during rapid cooling processes
Publisher: IOP Publishing
Date: 30-07-2002
Modeling and analysis of flow regimes in hydraulic conveying of coarse particles
Publisher: Elsevier BV
Date: 08-2020
Numerical and experimental study of tensile stresses of biomass combustion ash with temperature variation
Publisher: Elsevier BV
Date: 2016
Discrete particle simulation for mixing of granular materials in ribbon mixers: A scale-up study
Publisher: Elsevier BV
Date: 03-2022
Synthesis of hierarchical nanosheet-assembled V2O5 microflowers with high sensing properties towards amines
Publisher: Royal Society of Chemistry (RSC)
Date: 2016
DOI: 10.1039/C6RA18848F
Abstract: Hierarchical three-dimensional nanosheet-assembled vanadium pentoxide (V 2 O 5 ) microflowers are successfully synthesized by a hydrothermal method, followed by a high-temperature sintering treatment.
Numerical Investigation of Burden Distribution in Hydrogen Blast Furnace
Publisher: Springer Science and Business Media LLC
Date: 20-10-2022
DOI: 10.1007/S11663-022-02672-6
Abstract: Hydrogen injection is a promising technology currently under development to reduce CO 2 emissions in ironmaking blast furnaces (BFs). Therefore, hydrogen BF is studied by a recent process model based on computational fluid dynamics (CFD). It focuses on the effect of peripheral opening extent (POE), which represents the coke amount near the furnace wall. The simulations consider a 380 m 3 BF operated with hydrogen injection through both shaft and hearth tuyeres. The overall performance of the BF is analyzed in terms of the inner states. It shows that increasing POE hinders the pre-reduction and pre-heating roles of shaft-injected hydrogen (SIH) but improves the CO indirect reduction rate. An optimum peripheral opening extent can be identified to achieve a maximum hot metal (HM) temperature, relatively low bed pressure, and good gas utilization. The interaction between SIH flow rate and burden distribution is also quantified. It shows that the increase in SIH flow rate slows down the CO indirect reduction rate but enhances the H 2 indirect reduction rate. These opposite trends account for the less variation of HM temperature with POE as the SIH flow rate increases. This variation becomes trivial at relatively large SIH flow rates and small POEs. Overall, the POE affects the cohesive zones more than the SIH flow rate. However, under the conditions considered, both variables cannot significantly improve the penetration of the shaft injection, the effect of which is generally confined within the peripheral region.
Solid flow caused by buoyancy force of heavy liquid
Publisher: Iron and Steel Institute of Japan
Date: 2003
Prediction of hopper discharge rates of binary granular mixtures
Publisher: Elsevier BV
Date: 02-1998
An integrated model of coal/coke combustion in a blast furnace
Publisher: AIP
Date: 2010
DOI: 10.1063/1.3366470
Molecular Dynamics Study on Au/Fe3O4 Nanocomposites and Their Surface Function toward Amino Acids
Publisher: American Chemical Society (ACS)
Date: 22-09-2011
DOI: 10.1021/JP206532P
Abstract: The deposition of gold nanoparticles on the magnetite (Fe(3)O(4)) surface is demonstrated through a molecular dynamics method. The simulated results show that an intermediate layer composed by such as a surfactant, polymer, or silica plays a key role in the formation of core/shell Fe(3)O(4)/Au nanostructures. The functional groups of the intermediate layer are crucial factors in depositing gold onto the Fe(3)O(4) surface via nonbonding interactions, in which the van der Waals and columbic forces will determine the strength of interaction toward the gold and iron oxide. Such interactions can affect the stability of the metal-coated nanocomposites and hence the functional properties. The nanocomposite is further investigated on the surface adsorption of amino acids (e.g., cysteine), which may be useful for functional exploration in biomedical applications.
Three-dimensional simulation of the co-firing of coal and biomass in an oxy-fuel fluidized bed
Publisher: Elsevier BV
Date: 08-2020
Continuum modelling of granular segregation by coupling flow rheology and transport equation
Publisher: Elsevier BV
Date: 2021
Lattice-Boltzmann simulation of fluid flow through packed beds of uniform spheres: Effect of porosity
Publisher: Elsevier BV
Date: 08-2013
A finite element method for granular flow through a frictional boundary
Publisher: Elsevier BV
Date: 07-2007
Numerical study of the multiphase flows and separation performance of hydrocyclone with tapered cross-section inlet
Publisher: Elsevier BV
Date: 02-2022
Modelling of multiphase flow in ironmaking blast furnace
Publisher: American Chemical Society (ACS)
Date: 27-06-2009
DOI: 10.1021/IE800147V
Eulerian–Eulerian modeling of the formation and deposition of SiO2 in the outside vapor deposition process
Publisher: Elsevier BV
Date: 12-2022
Microscopic analysis of Hopper flow with ellipsoidal particles
Publisher: AIP
Date: 2013
DOI: 10.1063/1.4812026
Numerical investigation of steady and unsteady state hopper flows
Publisher: Elsevier BV
Date: 12-2006
Capillary forces on wet particles with a liquid bridge transition from convex to concave
Publisher: Elsevier BV
Date: 03-2020
Evaluation of effective thermal conductivity from the structure of a packed bed
Publisher: Elsevier BV
Date: 10-1999
Seed-mediated synthesis of dendritic platinum nanostructures with high catalytic activity for aqueous-phase hydrogenation of acetophenone
Publisher: Elsevier BV
Date: 09-2015
Numerical modeling of electrostatic precipitation: Effect of Gas temperature
Publisher: Elsevier BV
Date: 11-2014
Effect of the pH value of the precipitation solution on the CO sensitivity of alpha-Fe2O3
Publisher: Elsevier BV
Date: 12-1999
Three-dimensional Simulation of Flow and Combustion for Pulverised Coal Injection
Publisher: Iron and Steel Institute of Japan
Date: 2005
Study on the influence of powder size on the properties of BTS/ITO thin film by RF sputtering from powder target
Publisher: Elsevier BV
Date: 05-2017
Numerical studies of mixing of ellipsoidal particles in a bladed mixer
Publisher: Elsevier BV
Date: 2022
Mathematical Modeling of Starch Particle Digestion: Taking Intrinsic Granular Properties into Account
Publisher: Authorea, Inc.
Date: 17-09-2023
Packing of multi-sized mixtures of wet coarse spheres
Publisher: Elsevier BV
Date: 02-2003
Simulation of coal pressurized pyrolysis process in an industrial-scale spout-fluid bed reactor
Publisher: Elsevier BV
Date: 12-2019
Effect of cohesive force on the formation of a sandpile
Publisher: AIP
Date: 2013
DOI: 10.1063/1.4812014
Impaction of particle streams on a granular bed
Publisher: AIP
Date: 2013
DOI: 10.1063/1.4812011
Particle conveying under microgravity in a vibrating vessel
Publisher: Elsevier BV
Date: 12-2019
Molecular Dynamics Simulation of Au-TiO2 Catalysts: Deposition of Gold Nanoclusters on Rutile (110) Surface
Publisher: Trans Tech Publications, Ltd.
Date: 12-2012
DOI: 10.4028/WWW.SCIENTIFIC.NET/AMR.418-420.870
Abstract: In this work, molecular dynamics simulation was used to investigate the deposition process of a gold nanocluster on rutile TiO 2 (110) surface. The effects of surface defects (i.e., point, step, and groove) were examined in terms of interaction energy, morphology and structure. It was found that the gold nanocluster can be strongly attracted to rutile TiO 2 (110) surface. Moreover, a higher degree of defect results in a stronger attractive interaction between gold nanocluster and TiO 2 (110) surface. The simulated results also indicated that the stability of gold nanoclusters can be effectively controlled by adding citrate ions, which could lead to a high catalytic activity of gold/metal oxide catalysts.
Experimental and theoretical studies of V2O5@TiO2 core-shell hybrid composites with high gas sensing performance towards ammonia
Publisher: Elsevier BV
Date: 11-2017
Molecular dynamics simulation of the structural and dynamic properties of dioctadecyldimethyl ammoniums in organoclays
Publisher: American Chemical Society (ACS)
Date: 15-06-2004
DOI: 10.1021/JP037245T
Settling of particles in liquids: Effects of material properties
Publisher: Wiley
Date: 16-06-2012
DOI: 10.1002/AIC.12682
Clay-Based Polymer Nanocomposites: Research and Commercial Development
Publisher: American Scientific Publishers
Date: 10-2005
DOI: 10.1166/JNN.2005.411
Abstract: This paper reviews the recent research and development of clay-based polymer nanocomposites. Clay minerals, due to their unique layered structure, rich intercalation chemistry and availability at low cost, are promising nanoparticle reinforcements for polymers to manufacture low-cost, lightweight and high performance nanocomposites. We introduce briefly the structure, properties and surface modification of clay minerals, followed by the processing and characterization techniques of polymer nanocomposites. The enhanced and novel properties of such nanocomposites are then discussed, including mechanical, thermal, barrier, electrical conductivity, biodegradability among others. In addition, their available commercial and potential applications in automotive, packaging, coating and pigment, electrical materials, and in particular biomedical fields are highlighted. Finally, the challenges for the future are discussed in terms of processing, characterization and the mechanisms governing the behaviour of these advanced materials.
CFD simulation of dense particulate reaction system: Approaches, recent advances and applications
Publisher: Elsevier BV
Date: 02-2016
Applicability of a coarse-grained CFD–DEM model on dense medium cyclone
Publisher: Elsevier BV
Date: 05-2016
Experimental investigation of the leak-off effect on proppant transportation and distribution in a vertical fracture
Publisher: Elsevier BV
Date: 2021
Interfacial synergistic effect of the Cu monomer or CuO dimer modified CeO2(111) catalyst for CO oxidation
Publisher: Elsevier BV
Date: 10-2011
Micromechanical simulation and analysis of one-dimensional vibratory sphere packing
Publisher: American Physical Society (APS)
Date: 08-11-2005
Rolling friction in the dynamic simulation of sandpile formation
Publisher: Elsevier BV
Date: 07-1999
Surface-coated fly ash used as filler in biodegradable poly(vinyl alcohol) composite films: Part 1-The modification process
Publisher: Elsevier BV
Date: 02-2010
Steady-state granular flow in a 3D cylindrical hopper with flat bottom: macroscopic analysis
Publisher: Springer Science and Business Media LLC
Date: 29-03-2005
A Two-Step Hydrothermal Synthesis Approach to Monodispersed Colloidal Carbon Spheres
Publisher: Springer Science and Business Media LLC
Date: 21-05-2009
DOI: 10.1007/S11671-009-9343-5
Abstract: This work reports a newly developed two-step hydrothermal method for the synthesis of monodispersed colloidal carbon spheres (CCS) under mild conditions. Using this approach, monodispersed CCS with diameters ranging from 160 to 400 nm were synthesized with a standard deviation around 8%. The monomer concentration ranging from 0.1 to 0.4 M is in favor of generation of narrower size distribution of CCS. The particle characteristics (e.g., shape, size, and distribution) and chemical stability were then characterized by using various techniques, including scanning electron microscopy (SEM), FT-IR spectrum analysis, and thermalgravity analysis (TGA). The possible nucleation and growth mechanism of colloidal carbon spheres were also discussed. The findings would be useful for the synthesis of more monodispersed nanoparticles and for the functional assembly.
Feeding spent coffee grounds into reactors: TFM simulation of a non-mechanical spouted bed type feeder
Publisher: Elsevier BV
Date: 05-2020
Reply to comments on Oxidation mechanism of Si3 N4 -bonded SiC ceramics by CO, CO2 and steam, by Balat et al
Publisher: Springer Science and Business Media LLC
Date: 2000
A static approach towards coke collapse modelling in blast furnace
Publisher: Informa UK Limited
Date: 10-2009
Statistical analysis of monodispersed coarse particle motion in a gas-fluidized bed
Publisher: Elsevier BV
Date: 03-2020
A particle-scale index in the quantification of mixing of particles
Publisher: Wiley
Date: 25-05-2012
DOI: 10.1002/AIC.12654
Multi-Scale Modelling of Powder Dispersion in a Carrier-Based Inhalation System
Publisher: Springer Science and Business Media LLC
Date: 17-12-2015
DOI: 10.1007/S11095-014-1601-2
Abstract: Carrier-based dry powder inhalers (DPIs) are widely used for rapid and convenient delivery of drug to the site of action. This work aimed to predict powder aerosolisation in DPIs through numerical modelling. A multi-scale modelling technique based on the combined computational fluid dynamics (CFD) and discrete element method (DEM) approach was developed. The simulation results of the detachments of the drug particles from single carrier under different impact velocities and angles were comparable with those measured in the experiments in terms of fine particle fraction FPF loaded . Empirical equations were developed to link the detachment performance with impact velocity and impact angle. Then the dynamics of the carrier particles in Aerolizer® was simulated. The results indicated that the carrier-wall impaction was the dominant mechanism for drug aerosolisation performance. By linking the empirical equations with the carrier-wall impact energy, the predictions showed that for a given formulation mass with a fixed carrier/drug ratio, the inhaler performance decreased with carrier size and increased with air flow rate. Device empty efficiency, however, was independent with carrier size and flow rate. The multi-scale model was able to provide quantitative information to better understand the aerosolisation mechanisms of carrier-based formulation.
Finite element analysis of the rolling friction of a viscous particle on a rigid plane
Publisher: Elsevier BV
Date: 02-2011
A Discrete Element Method Study of Monodisperse Mixing of Ellipsoidal Particles in a Rotating Drum
Publisher: American Chemical Society (ACS)
Date: 10-06-2020
Low-temperature solid-state synthesis of tetragonal BaTiO3 powders from Ba(OH)2 and H2TiO3
Publisher: Springer Science and Business Media LLC
Date: 05-09-2022
Numerical simulation of the interaction forces between turbine meter and particles in a standpipe
Publisher: Springer Science and Business Media LLC
Date: 02-2004
A new method for analyzing the local structures of disordered systems
Publisher: IOP Publishing
Date: 12-10-2011
Dynamic simulation of the centripetal packing of mono-sized spheres
Publisher: Elsevier BV
Date: 06-1999
Computational investigation of dust mite allergens in a realistic human nasal cavity.
Publisher: Informa UK Limited
Date: 12-05-2019
Co-simulation of multibody dynamics and discrete element method for hydraulic excavators
Publisher: Elsevier BV
Date: 2023
Numerical investigation of non-uniform sand retention behavior in sand screens
Publisher: Elsevier BV
Date: 2021
Powder deposition mechanism during powder spreading with different spreader geometries in powder bed fusion additive manufacturing
Publisher: Elsevier BV
Date: 2022
Growth mechanisms of silver nanoparticles: a molecular dynamics study
Publisher: IOP Publishing
Date: 03-01-2007
DOI: 10.1088/0957-4484/18/3/035708
Abstract: The shape control of metal nanoparticles allows one to finely tune their properties with great versatility. A self-seeding coreduction method has recently been developed for the synthesis of silver nanodiscs, triangular nanoplates and nanospheres. The addition of surfactants was found to be one of the most important factors in determining the final particle shape. In this paper, molecular dynamics simulations are performed to understand the growth mechanisms of silver nanoparticles for different surfactants (i.e. bis(2-ethylhexyl) sulfosuccinate, 1-dodecanethiol and cetyltrimethyl ammonium). The interaction energies between the surfactants and the silver crystal plane (i.e. (100), (110), (111)) are calculated. The molecular structural property of surfactants at the silver surface is also examined. It is demonstrated that the calculated interaction energies explain well the growth behaviour observed in the silver nanoparticle systems. Molecular dynamics simulation could provide a theoretical guideline for the choice of surfactants and hence the synthesis of various metal nanoparticles with controlled shape.
Finite element analysis of the contact forces between viscoelastic particles
Publisher: AIP
Date: 2013
DOI: 10.1063/1.4812064
Particle scale modelling of melt pool dynamics and pore formation in selective laser melting additive manufacturing
Publisher: Elsevier BV
Date: 2022
Bilayer composites consisting of gold nanorods and titanium dioxide as highly sensitive and self-cleaning SERS substrates
Publisher: Springer Science and Business Media LLC
Date: 06-05-2017
Microdynamic analysis of solid flow in a shear cell
Publisher: Springer Science and Business Media LLC
Date: 25-01-2012
Pore structure of the packing of fine particles
Publisher: Elsevier BV
Date: 07-2006
DOI: 10.1016/J.JCIS.2006.02.041
Abstract: This paper presents a numerical study of the pore structure of fine particles. By means of granular dynamics simulation, packings of mono-sized particles ranging from 1 to 1000 microm are constructed. Our results show that packing density varies with particle size due to the effect of the cohesive van der Waals force. Pores and their connectivity are then analysed in terms of Delaunay tessellation. The geometries of the pores are represented by the size and shape of Delaunay cells and quantified as a function of packing density or particle size. It shows that the cell size decreases and the cell shape becomes more spherical with increasing packing density. A general correlation exists between the size and shape of cells: the larger the cell size relative to particle size, the more spherical the cell shape. This correlation, however, becomes weaker as packing density decreases. The connectivity between pores is represented by throat size and channel length. With decreasing packing density, the throat size increases and the channel length decreases. The pore scale information would be useful to understand and model the transport and mechanical properties of porous media.
Numerical investigation of the angle of repose of monosized spheres
Publisher: American Physical Society (APS)
Date: 18-07-2001
High strength bio-composite films of poly(vinyl alcohol) reinforced with chemically modified-fly ash
Publisher: Springer Science and Business Media LLC
Date: 09-12-2010
Simulation of the packing of cohesive particles
Publisher: Elsevier BV
Date: 07-2007
Simulation of macroscopic deformation using a sub-particle DEM approach
Publisher: Elsevier BV
Date: 06-2012
AN EXPERIMENTAL-STUDY OF THE PACKING OF A COAL HEAP
Publisher: Elsevier BV
Date: 11-1991
Gas-solid flow and energy dissipation in inclined pneumatic conveying
Publisher: American Chemical Society (ACS)
Date: 23-10-2012
DOI: 10.1021/IE301894D
Model study of liquid flow in the blast furnace lower zone
Publisher: Iron and Steel Institute of Japan
Date: 1997
The effect of Al addition on the gas sensing properties of Fe2O3-based sensors
Publisher: Elsevier BV
Date: 04-2001
Effect of gravity on particle dispersion in a horizontally vibrating bed
Publisher: AIP
Date: 2013
DOI: 10.1063/1.4812058
Discrete element method
Publisher: Emerald
Date: 03-2004
DOI: 10.1108/02644400410519749
Abstract: Discrete element method (DEM) has been extensively used in the laboratory of particulate and multiphase processing at the University of New South Wales (UNSW) to study the fundamentals of particulate matter at a particle scale. This paper briefly reviews the work in the laboratory, which covers the development of simulation techniques and their application to the study of particle packing and flow, transport properties and constitutive relationships of typical static or dynamic particulate systems. It is concluded, through representative comparison between simulated and measured results under different conditions, that DEM, as a major technique for discrete particle simulation, is an effective method for particle scale research of particulate matter.
Evaluation of contact force models for discrete modelling of ellipsoidal particles
Publisher: Elsevier BV
Date: 02-2018
Superwettability Strategy: 1D Assembly of Binary Nanoparticles as Gas Sensors
Publisher: Wiley
Date: 20-06-2017
Abstract: Binary 1D nanowires consisting of both SnO
Discrete particle simulation of gas fluidization of ellipsoidal particles
Publisher: Elsevier BV
Date: 12-2011
Formation and magic number characteristics of clusters formed during solidification processes
Publisher: IOP Publishing
Date: 17-04-2007
Facile Synthesis and Optical Performance of Y2.9Ce0.1Al5O12 Phosphor Thick Films from Sol-Gel Method
Publisher: Wiley
Date: 19-02-2015
DOI: 10.1111/JACE.13506
Simulations on pressurized oxy-coal combustion and gasification by molecular dynamics method with ReaxFF
Publisher: Elsevier BV
Date: 05-2022
Numerical simulation of the gas–solid flow in a bed with lateral gas blasting
Publisher: Elsevier BV
Date: 04-2000
Numerical study of the influence of particle friction on horizontal pneumatic conveying
Publisher: AIP
Date: 2013
DOI: 10.1063/1.4816854
A GPU-based DEM for modelling large scale powder compaction with wide size distributions
Publisher: Elsevier BV
Date: 06-2018
Seedless Synthesis of Monodispersed Gold Nanorods with Remarkably High Yield: Synergistic Effect of Template Modification and Growth Kinetics Regulation
Publisher: Wiley
Date: 02-2017
Abstract: Gold nanorods (AuNRs) are versatile materials due to their broadly tunable optical properties associated with their anisotropic feature. Conventional seed-mediated synthesis is, however, not only limited by the operational complexity and over-sensitivity towards subtle changes of experimental conditions but also suffers from low yield (≈15 %). A facile seedless method is reported to overcome these challenges. Monodispersed AuNRs with high yield (≈100 %) and highly adjustable longitudinal surface plasmon resonance (LSPR) are reproducibly synthesized. The parameters that influence the AuNRs growth were thoroughly investigated in terms of growth kinetics and soft-template regulation, offering a better understanding of the template-based mechanism. The facile synthesis, broad tunability of LSRP, high reproducibility, high yield, and ease of scale-up make this method promising for the future mass production of monodispersed AuNRs for applications in catalysis, sensing, and biomedicine.
Equivalent packing size of spheroidal particles: A microscopic test
Publisher: Elsevier BV
Date: 06-2018
Modelling the combustion of charcoal in a model blast furnace
Publisher: AIP
Date: 2013
DOI: 10.1063/1.4816855
Preparation and luminescent properties of Y2.9Ce0.1Al5O12 nano-phosphors by hydrothermal treatment and post-annealing process
Publisher: Elsevier BV
Date: 12-2012
A Boundary Element Method for Evaluation of the Effective Thermal Conductivity of Packed Beds
Publisher: ASME International
Date: 06-06-2006
DOI: 10.1115/1.2430721
Abstract: The problem of evaluating the effective thermal conductivity of random packed beds is of great interest to a wide-range of engineers and scientists. This study presents a boundary element model (BEM) for the prediction of the effective thermal conductivity of a two-dimensional packed bed. The model accounts for four heat transfer mechanisms: (1) conduction through the solid (2) conduction through the contact area between particles (3) radiation between solid surfaces and (4) conduction through the fluid phase. The radiation heat exchange between solid surfaces is simulated by the net-radiation method. Two regular packing configurations, square array and hexagonal array, are chosen as illustrative ex les. The comparison between the results obtained by the present model and the existing predictions are made and the agreement is very good. The proposed BEM model provides a new tool for evaluating the effective thermal conductivity of the packed beds.
Tunable syngas production from two-stage sorption-enhanced steam gasification of sewage sludge
Publisher: Elsevier BV
Date: 2021
Review of clothing for thermal management with advanced materials
Publisher: Springer Science and Business Media LLC
Date: 30-05-2019
Modifying the linear packing model for predicting the porosity of nonspherical particle mixtures
Publisher: American Chemical Society (ACS)
Date: 1996
DOI: 10.1021/IE950616A
Segregation of binary mixtures of spheres and ellipsoids
Publisher: AIP
Date: 2013
DOI: 10.1063/1.4812044
CFD Modelling of Liquid Metal Flow and Heat Transfer in Blast Furnace Hearth
Publisher: Iron and Steel Institute of Japan
Date: 2008
In Vitro and In Silico Investigations on Drug Delivery in the Mouth-Throat Models with Handihaler®
Publisher: Springer Science and Business Media LLC
Date: 07-09-2022
DOI: 10.1007/S11095-022-03386-9
Abstract: This work aimed to evaluate the relative inhalation parameters that affect the deposition of inhaled aerosols, including mouth-throat morphology, airflow rate, and initial condition of emitted particles. In vitro experiments were conducted using the US Pharmacopeia (USP) throat and a realistic mouth-throat (RMT) with Handihaler®. Then, in silico study of the gas-solid flow was performed by computational fluid dynamics and discrete phase method. Results indicated that aerosol deposition in RMT was higher compared to that in USP throat at an airflow rate of 30 L/min, with 33.16 ± 7.84% and 21.11 ± 7.1% lung deposition in USP throat and RMT models, respectively, which showed a better correlation with in vivo data from the literature. Increasing airflow rate resulted in better drug aerosolization, while the fine particle dose trend ascended before declining, with the peak value obtained at a flow rate of 40 L/min. Overall, the effect of geometrical variation was more significant. Additionally, in silico results demonstrated clearly that the initial conditions of the emitted particles from inhalers affected the subsequent deposition. Larger momentum possessed by the central aerosol jet entering the mouth directly led to stronger impaction, which resulted in the deposition in the front region of mouth-throat models. This study is beneficial to develop an in silico method to understand the underlying mechanisms of in vivo mouth-throat deposition.
Numerical Study on the Thawing Process of Biological Tissue Induced by Laser Irradiation
Publisher: ASME International
Date: 02-2005
DOI: 10.1115/1.1894294
Abstract: Most of the laser applications in medicine and biology involve thermal effects. The laser-tissue thermal interaction has therefore received more and more attentions in recent years. However, previous works were mainly focused on the case of laser heating on normal tissues (37 °C or above). To date, little is known on the mechanisms of laser heating on the frozen biological tissues. Several latest experimental investigations have demonstrated that lasers have great potentials in tissue cryopreservation. But the lack of theoretical interpretation limits its further application in this area. The present paper proposes a numerical model for the thawing of biological tissues caused by laser irradiation. The Monte Carlo approach and the effective heat capacity method are, respectively, employed to simulate the light propagation and solid-liquid phase change heat transfer. The proposed model has four important features: (1) the tissue is considered as a nonideal material, in which phase transition occurs over a wide temperature range (2) the solid phase, transition phase, and the liquid phase have different thermophysical properties (3) the variations in optical properties due to phase-change are also taken into consideration and (4) the light distribution is changing continually with the advancement of the thawing fronts. To this end, 15 thawing-front geometric configurations are presented for the Monte Carlo simulation. The least-squares parabola fitting technique is applied to approximate the shape of the thawing front. And then, a detailed algorithm of calculating the photon reflection/refraction behaviors at the thawing front is described. Finally, we develop a coupled light/heat transport solution procedure for the laser-induced thawing of frozen tissues. The proposed model is compared with three test problems and good agreement is obtained. The calculated results show that the light reflectance/transmittance at the tissue surface are continually changing with the progression of the thawing fronts and that lasers provide a new heating method superior to conventional heating through surface conduction because it can achieve a uniform volumetric heating. Parametric studies are performed to test the influences of the optical properties of tissue on the thawing process. The proposed model is rather general in nature and therefore can be applied to other nonbiological problems as long as the materials are absorbing and scattering media.
Co-firing of coal and biomass under pressurized oxy-fuel combustion mode in a 10 kWth fluidized bed: Nitrogen and sulfur pollutants
Publisher: Elsevier BV
Date: 12-2022
Improved CFD Model to Predict Flow and Temperature Distributions in a Blast Furnace Hearth
Publisher: Springer Science and Business Media LLC
Date: 25-06-2014
Numerical Investigation of Gas-Liquid Flow in a Newly Developed Carbonation Reactor
Publisher: American Chemical Society (ACS)
Date: 21-12-2018
Numerical modelling of the gas flow through perforated plates
Publisher: Elsevier BV
Date: 03-2013
ANN prediction of particle flow characteristics in a drum based on synthetic acoustic signals from DEM simulations
Publisher: Elsevier BV
Date: 12-2021
CFD-DEM investigation of the effect of agglomerate-agglomerate collision on dry powder aerosolisation
Publisher: Elsevier BV
Date: 02-2016
Formation of ordered structure and its effect on particle percolation in a vibrated bed
Publisher: AIP
Date: 2013
DOI: 10.1063/1.4812039
Effects of size and density differences on mixing of binary mixtures of particles
Publisher: AIP
Date: 2013
DOI: 10.1063/1.4812037
Formation and description of nano-clusters formed during rapid solidification processes in liquid metals
Publisher: Elsevier BV
Date: 03-2005
Adhesion effects on spreading of metal powders in selective laser melting
Publisher: Elsevier BV
Date: 03-2020
Size segregation mechanism of binary particle mixture in forming a conical pile
Publisher: Elsevier BV
Date: 12-2011
Mixing behaviour of cohesive and non-cohesive particle mixtures in a ribbon mixer
Publisher: AIP
Date: 2013
DOI: 10.1063/1.4812035
Synthesis of V2O5@TiO2 core-shell hybrid composites for sunlight degradation of methylene blue
Publisher: Royal Society of Chemistry (RSC)
Date: 2016
DOI: 10.1039/C6RA03376H
Abstract: We have demonstrated a simple but efficient synthesis route to obtain V 2 O 5 @TiO 2 core–shell nanostructures under mild conditions (≤100 °C in water).
Nanoarchitectured Design of Porous Materials and Nanocomposites from Metal‐Organic Frameworks
Publisher: Wiley
Date: 27-12-2016
Abstract: The emergence of metal-organic frameworks (MOFs) as a new class of crystalline porous materials is attracting considerable attention in many fields such as catalysis, energy storage and conversion, sensors, and environmental remediation due to their controllable composition, structure and pore size. MOFs are versatile precursors for the preparation of various forms of nanomaterials as well as new multifunctional nanocomposites/hybrids, which exhibit superior functional properties compared to the in idual components assembling the composites. This review provides an overview of recent developments achieved in the fabrication of porous MOF-derived nanostructures including carbons, metal oxides, metal chalcogenides (metal sulfides and selenides), metal carbides, metal phosphides and their composites. Finally, the challenges and future trends and prospects associated with the development of MOF-derived nanomaterials are also examined.
Advances on tungsten oxide based photochromic materials: strategies to improve their photochromic properties
Publisher: Royal Society of Chemistry (RSC)
Date: 2018
DOI: 10.1039/C7TC04189F
Abstract: Photochromic materials have been extensively studied because they are quite attractive and promising for many applications.
Synthesis of Pd/alpha-Fe2O3 nanocomposites for catalytic CO oxidation
Publisher: Elsevier BV
Date: 05-2009
Advanced utilization of as received and near whitened fly ash in polypropylene polymer to improve mechanical, notched impact and whiteness colour properties
Publisher: Springer Science and Business Media LLC
Date: 30-09-2010
Mesh reduction strategy: Special element for modelling anisotropic materials with defects
Publisher: WIT Press
Date: 22-10-2014
DOI: 10.2495/BEM360061
Particle velocity distribution function around a single bubble in gas-solid fluidized beds
Publisher: Elsevier BV
Date: 02-2020
Special issue: Computational Modelling Foreword
Publisher: Elsevier BV
Date: 10-2009
Feeding spent coffee ground powders with a non-mechanical L-valve: Experimental analysis and TFM simulation
Publisher: Elsevier BV
Date: 2020
A continuum model for the segregation of bidisperse particles in a blade mixer
Publisher: Wiley
Date: 03-05-2022
DOI: 10.1002/AIC.17734
Abstract: The process of blending powders using stirring blades involves complicated granular flows, particle‐scale mechanisms, and blade–particle interactions, which is challenging to predict and control. This article proposes a continuum‐based model for such a process by incorporating the flow rheology, isotropic particle diffusion and the percolation of granular materials. A method combining finite element method (FEM), finite difference method (FDM), and immersed boundary method (IBM) is developed to numerically implement the continuum model and applied to a cylindrical blade mixer. The model well describes the tempo‐spatial distribution of small/large particles in the stirring process, such as the accumulation of small particles in the vicinity of blades. Remarkably, this model can capture the various intricate effects of blade parameters, including the blade rake angle, rotating speeds, filling level, and the friction coefficient of the mixer wall. It is therefore promising for optimizing the blade mixers in industries.
Three-dimensional modelling of in-furnace coal/coke combustion in a blast furnace
Publisher: Elsevier BV
Date: 02-2011
A new computational method for studying heat transfer in fluid bed reactors
Publisher: Elsevier BV
Date: 2010
Prediction of the porosity of multicomponent mixtures of wet coarse spheres
Publisher: American Chemical Society (ACS)
Date: 30-09-2005
DOI: 10.1021/IE050533M
Prediction of separation performance of hydrocyclones by a PC-based model
Publisher: Elsevier BV
Date: 03-2019
Numerical study on the momentum and heat transfer of porous spheroids under laminar flow
Publisher: Elsevier BV
Date: 2022
A New Interaction Force Model of Gold Nanorods Derived by Molecular Dynamics Simulation
Publisher: MDPI AG
Date: 07-2020
DOI: 10.3390/NANO10071293
Abstract: Interactions between nanoparticles is one of the key factors governing their assembly for ordered structures. Understanding such interactions between non-spherical nanoparticles and developing a quantitative force model are critical to achieving the ordered structures for various applications. In the present study, the non-contact interactions of two identical gold nanorods (AuNRs) with different aspect ratios have been studied by molecular dynamics simulation. A new interaction potential and force model for two nanorods approaching side-by-side has been proposed as a function of particle surface separation and their relative orientation. In addition, the interaction potentials of two nanorods approaching in other typical orientation configurations (i.e., crossed, head-to-head and head-to-side) have also been investigated.
Modelling the co-firing of coal and biomass in a 10 kWth oxy-fuel fluidized bed
Publisher: Elsevier BV
Date: 2022
Packing of fine particles in an electrical field
Publisher: Springer Science and Business Media LLC
Date: 26-03-2013
Electronic Structure of Metal (M = Au, Pt, Pd, or Ru) Bilayer Modified alpha-Fe2O3(0001) Surfaces
Publisher: American Chemical Society (ACS)
Date: 28-02-2011
DOI: 10.1021/JP1108043
Packing of cylindrical particles with a length distribution
Publisher: Wiley
Date: 03-1997
Multi-scale simulation of the gas flow through electrostatic precipitators
Publisher: Elsevier BV
Date: 11-2016
3D particle-scale modeling of gas–solids flow and heat transfer in fluidized beds with an immersed tube
Publisher: Elsevier BV
Date: 06-2016
Formation mechanism of bulk nanocrystalline aluminium with multiply twinned grains by liquid quenching: A molecular dynamics simulation study
Publisher: Elsevier BV
Date: 03-2015
Particle scale investigation of flow and mixing of wet particles in rotating drums
Publisher: AIP
Date: 2013
DOI: 10.1063/1.4812093
Interfacial interactions and structure of polyurethane intercalated nanocomposite
Publisher: IOP Publishing
Date: 11-10-2005
Numerical simulation of the liquid-induced erosion in a weakly bonded sand assembly
Publisher: Elsevier BV
Date: 08-2011
Combustion optimization of ultra supercritical boiler based on artificial intelligence
Publisher: Elsevier BV
Date: 03-2019
Packing of Ternary Mixtures of Nonspherical Particles
Publisher: Wiley
Date: 10-1992
Structure analysis on the packing of ellipsoids under one-dimensional vibration and periodic boundary conditions
Publisher: Elsevier BV
Date: 07-2018
Polyol-thermal synthesis of silver nanowires for Hg2+ sensing detection
Publisher: Springer Science and Business Media LLC
Date: 15-07-2011
Experimental Studies on the Emission of Gaseous Pollutants in an Oxy-Fuel-Fluidized Bed with the Cofiring of Coal and Biomass Waste Fuels
Publisher: American Chemical Society (ACS)
Date: 26-05-2020
DEM study of crystallization of monosized spheres under mechanical vibrations
Publisher: Elsevier BV
Date: 09-2011
Effect of Contact Resistance on Bulk Resistivity of Dry Coke Beds
Publisher: Springer Science and Business Media LLC
Date: 15-04-2009
Effect of Target Density on Microstructural, Electrical, and Optical Properties of Indium Tin Oxide Thin Films
Publisher: Springer Science and Business Media LLC
Date: 12-06-2012
CFD Modeling and Analysis of The Flow, Heat Transfer and Mass Transfer in a Blast Furnace Hearth
Publisher: Wiley
Date: 31-03-2011
Thiol-frozen shape evolution of triangular silver nanoplates
Publisher: American Chemical Society (ACS)
Date: 06-01-2007
DOI: 10.1021/LA062797Z
Abstract: The structural and optical stability of nanoparticles directly influences their applications. The shape evolution of silver nanoplates synthesized in the presence of bis(2-ethylhexyl) sulfosuccinate (AOT) could be effectively frozen using thiols in aqueous solution. These thiols (e.g., 1-hexanethiol, 1-octanethiol, 1-dodecanethiol, and 1-hexadecanethiol) exhibit stronger surface affinity on the silver crystalline surfaces. This is evidenced from both the unchanged shape/size of nanoplates and their unshifted plasmon resonances in optical absorption. To quantitatively explain the thiol-frozen shape evolution mechanism of silver nanoplates at molecular scale, molecular dynamics simulation was performed. The results show that these thiols exhibit larger interaction energies than AOT molecules on the silver atomic surfaces and hence freeze the shape evolution of silver nanoparticles. This thiol-frozen strategy would not only be useful for stabilizing nanoparticles but would also allow the introduction of a wide range of surface chemical functionalities to the nanoparticles for potential applications in nanosensors.
CFD modelling and analysis of pulverized coal injection in blast furnace: An overview
Publisher: Wiley
Date: 17-03-2011
Colour control in fly ash as a combined function of particle size and chemical composition
Publisher: Elsevier BV
Date: 02-2010
Steel Research International: Editorial
Publisher: Wiley
Date: 22-03-2011
Experimental and numerical simulation of discrete liquid flow in a packed bed
Publisher: Elsevier BV
Date: 11-1997
Calculation of Noncontact Forces between Silica Nanospheres
Publisher: American Chemical Society (ACS)
Date: 05-02-2013
DOI: 10.1021/LA305156S
Abstract: Quantification of the interactions between nanoparticles is important in understanding their dynamic behaviors and many related phenomena. In this study, molecular dynamics simulation is used to calculate the interaction potentials (i.e., van der Waals attraction, Born repulsion, and electrostatic interaction) between two silica nanospheres of equal radius in the range of 0.975 to 5.137 nm. The results are compared with those obtained from the conventional Hamaker approach, leading to the development of modified formulas to calculate the van der Waals attraction and Born repulsion between nanospheres, respectively. Moreover, Coulomb's law is found to be valid for calculating the electrostatic potential between nanospheres. The developed formulas should be useful in the study of the dynamic behaviors of nanoparticle systems under different conditions.
Computer simulation of the packing of fine particles
Publisher: American Physical Society (APS)
Date: 09-2000
Abstract: This paper presents a simulation study of the packing of uniform fine-spherical particles where the van der Waals force is dominant. It is shown that porosity increases with the decreases of particle size from about 100 to 1 &mgr m and the simulated relationship can match the literature data well. The packing structure of fine particles is qualitatively depicted by illustrative pictures and quantified in terms of radial distribution function, angular distribution, and coordination number. The results indicate that in line with the increase in porosity, the first component of the split second peak and then the other peaks beyond the second one in the radial distribution function gradually vanish the first peak becomes narrower, with a sharp decrease to the first minimum. As particle size decreases, the peaks at 120 degrees and then 60 degrees in the angular distribution will gradually vanish the coordination number distribution shifts to the left and becomes narrower. The mean coordination number can decrease to a value as low as two for 1 &mgr m particles, giving a very loose and chainlike structure. The interparticle forces acting on in idual particles in a stable packing are analyzed and shown to be related to the packing properties.
Preface to special topic on computational materials and multiscale systems
Publisher: Oxford University Press (OUP)
Date: 28-02-2018
DOI: 10.1093/NSR/NWY018
Mixing performance of ribbon mixers: Effects of operational parameters
Publisher: Elsevier BV
Date: 02-2018
Modelling of multiphase flow in a blast furnace: Recent developments and future work
Publisher: Iron and Steel Institute of Japan
Date: 2007
Oxidation mechanism of Si3 N4 -bonded SiC ceramics by CO, CO2 and steam
Publisher: Springer Science and Business Media LLC
Date: 03-1998
Particle scale modelling of solid flow characteristics in liquid fluidizations of ellipsoidal particles
Publisher: Elsevier BV
Date: 10-2018
Self-assembly of particles for densest packing by mechanical vibration
Publisher: American Physical Society (APS)
Date: 26-12-2006
Crystal plane-dependent gas-sensing properties of zinc oxide nanostructures: experimental and theoretical studies
Publisher: Royal Society of Chemistry (RSC)
Date: 2014
DOI: 10.1039/C4CP01279H
Abstract: Crystal plane-dependent gas-sensing performance of ZnO nanostructures toward ethanol has been investigated experimentally and theoretically through DFT simulation.
Numerical investigation on the scale-up rules of a supercritical water fluidized bed reactor using the two-fluid model
Publisher: Informa UK Limited
Date: 2021
Controllable Synthesis of ZnO Nanoflakes with Exposed (10(1)over-bar0) for Enhanced Gas Sensing Performance
Publisher: American Chemical Society (ACS)
Date: 12-06-2013
DOI: 10.1021/JP404329Q
Particle shape effect on bubble dynamics in central air jet pseudo-2D fluidized beds: A CFD-DEM study
Publisher: Elsevier BV
Date: 06-2019
DEM simulation of the packing of cylindrical particles
Publisher: Springer Science and Business Media LLC
Date: 08-01-2020
Numerical investigation of the transient multiphase flow in an ironmaking blast furnace
Publisher: Iron and Steel Institute of Japan
Date: 2010
Spouting Characteristics of Wet Particles in a Conical-Cylindrical Spouted Bed
Publisher: American Chemical Society (ACS)
Date: 05-10-2015
Flow regimes in vertical pneumatic conveying
Publisher: AIP
Date: 2009
DOI: 10.1063/1.3179812
High-performance asymmetrical hybrid supercapacitor based on yolk-shell Ni3P nanoparticles constructed by selective etching
Publisher: Elsevier BV
Date: 10-2020
An ab initio study of transition metals doped with WSe2 for long-range room temperature ferromagnetism in two-dimensional transition metal dichalcogenide
Publisher: IOP Publishing
Date: 08-07-2014
DOI: 10.1088/0953-8984/26/30/306004
Abstract: We report a systematic study of the magnetic properties in transition metals doped with WSe2 through the use of first principle calculations. The results demonstrate the possibility of generating long-range room temperature ferromagnetic interaction in WSe2 with the use of Mn and Fe doping. In the case of Fe, a percolation threshold is required for long-range ferromagnetism, whereas the long-range room temperature ferromagnetic interaction in Mn-doped WSe2 persists even at a low concentration (~5.6%). The ferromagnetism is mediated by the delocalized p states in the Se atoms, which couple antiferromagnetically with the spin-down a1 and e1 states in Fe doping through a correlated interaction. In Mn doping, the p states of Se tend to couple ferromagnetically with the 3d state of Mn, which stabilizes the long-range ferromagnetism between the Mn ions, although the short-range interaction is antiferromagnetic. In addition, the calculations indicate that Fe and Mn tend to configure at a high spin state, thus they possess much larger magnetic moments in WSe2 than when they are doped into other transition metal dichalcogenides. We also discovered a strong dependence of the exchange interaction on the dopants' spatial positions, distances, and concentrations, which alters the magnetic coupling from strong ferromagnetism to strong antiferromagnetism. These results can provide useful guidance to engineer the magnetic properties of WSe2 in future experiments.
Direct Hydrothermal Synthesis of Carbonaceous Silver Nanocables for Electrocatalytic Applications
Publisher: Wiley
Date: 25-03-2015
Abstract: This study demonstrates a facile but efficient hydrothermal method for the direct synthesis of both carbonaceous silver (Ag@C core-shell) nanocables and carbonaceous nanotubes under mild conditions (<180 °C). The carbonaceous tubes can be formed by removal of the silver cores via an etching process under temperature control (60-140 °C). The structure and composition are characterized using various advanced microscopic and spectroscopic techniques. The pertinent variables such as temperature, reaction time, and surfactants that can affect the formation and growth of the nanocables and nanotubes are investigated and optimized. It is found that cetyltrimethylammonium bromide plays multiple roles in the formation of Ag@C nanocables and carbonaceous nanotubes including: a shape controller for metallic Ag wires and Ag@C cables, a source of Br(-) ions to form insoluble AgBr and then Ag crystals, an etching agent of silver cores to form carbonaceous tubes, and an inducer to refill silver particles into the carbonaceous tubes to form core-shell structures. The formation mechanism of carbonaceous silver nanostructures depending upon temperature is also discussed. Finally, the electrocatalytic performance of the as-prepared Ag@C nanocables is assessed for the oxidation reduction reaction and found to be very active but much less costly than the commonly used platinum catalysts. The findings should be useful for designing and constructing carbonaceous-metal nanostructures with potential applications in conductive materials, catalysts, and biosensors.
Synthesis of Li4Ti5O12 nanostructural anode materials with high charge–discharge capability
Publisher: Springer Science and Business Media LLC
Date: 26-03-2014
Reactive force field molecular dynamics (ReaxFF MD) simulation of coal oxy-fuel combustion
Publisher: Elsevier BV
Date: 02-2020
Numerical modelling of the breakage of loose agglomerates of fine particles
Publisher: Elsevier BV
Date: 12-2009
Micromechanic modeling and analysis of the flow regimes in horizontal pneumatic conveying
Publisher: Wiley
Date: 18-01-2011
DOI: 10.1002/AIC.12480
CFD Modeling and Analysis of Particle Size Reduction and Its Effect on Blast Furnace Ironmaking
Publisher: Springer Science and Business Media LLC
Date: 29-10-2021
Evaluation of effective thermal conductivity in random packed bed: Heat transfer through fluid voids and effect of packing structure
Publisher: Elsevier BV
Date: 02-2020
Numerical simulation of complex particle–fluid flows
Publisher: Elsevier BV
Date: 2008
Synthesis and pseudocapacitive behaviors of biomorphic mesoporous tubular MnO2 templated from cotton
Publisher: Elsevier BV
Date: 03-2013
Properties and preparation of Li-La-Ti-Zr-O thin film electrolyte
Publisher: Elsevier BV
Date: 09-2015
CFD-DEM modelling of particle flow in IsaMills - Comparison between simulations and PEPT measurements
Publisher: Elsevier BV
Date: 02-2011
JOHNSON S(B) DISTRIBUTION FUNCTION AS APPLIED IN THE MATHEMATICAL REPRESENTATION OF PARTICLE-SIZE DISTRIBUTIONS .2. APPLICATION OF NUMERICAL RESULTS
Publisher: Wiley
Date: 10-1994
Healable green hydrogen bonded networks for circuit repair, wearable sensor and flexible electronic devices
Publisher: Royal Society of Chemistry (RSC)
Date: 2017
DOI: 10.1039/C7TA03100A
Abstract: Green hydrogen bonded networks, which were conductive, healable, reshapable and eco-friendly, were fabricated for circuit repair, wearable sensor and flexible electronic devices.
Modelling of particle flow in a dual circulation fluidized bed by a Eulerian-Lagrangian approach
Publisher: Elsevier BV
Date: 12-2018
Prediction of the porosity of multi-component mixtures of cohesive and non-cohesive particles
Publisher: Elsevier BV
Date: 10-2011
Effect of nanofillers on phase separation behavior of diblock copolymer: A molecular dynamic study
Publisher: Trans Tech Publications, Ltd.
Date: 03-2007
DOI: 10.4028/WWW.SCIENTIFIC.NET/KEM.334-335.753
Abstract: Polymer nanocomposites are recognized as the next generation of polymer composites due to their exceptional properties. Understanding the molecular origin of the reinforcement mechanism is crucial to the development of such promising materials. This paper reports our recent molecular dynamic study on clay-based polyurethane nanocomposites. The effect of clay platelets on phase separation behavior of polyurethane, at the clay-polyurethane interface, is quantified in terms of molecular interactions, structure and dynamics. The results show that the nanoconfinement of polyurethane chains in clay gallery impedes the development of phase separation commonly observed in bulk polyurethane. The absence of phase separation of intercalated polyurethane is believed to be related to the competitive interactions among clay platelet, polyurethane and surfactant.
Study on preparation of LSTP thin film electrolyte by RF magnetron sputtering and electrical properties
Publisher: Springer Science and Business Media LLC
Date: 20-11-2020
Gas sensitivity of Zn doped alpha-Fe2O3(SO42-, Sn, Zn) to carbon monoxide
Publisher: Elsevier BV
Date: 05-1997
Discrete particle simulation of food grain drying in a fluidised bed
Publisher: Elsevier BV
Date: 2018
Angle of repose and stress distribution of sandpiles formed with ellipsoidal particles
Publisher: Springer Science and Business Media LLC
Date: 24-08-2014
Synthesis of platinum-decorated iron vanadate nanorods with excellent sensing performance toward n-butylamine
Publisher: Elsevier BV
Date: 11-2016
Structural characterization of the packings of granular regular polygons
Publisher: American Physical Society (APS)
Date: 07-12-2015
Related Organisations
JITRI Research Institute For Process Modelling And Optimisation
Location: China
ARC Research Hub For Computational Particle Technology
Location: Australia
CSIRO Australian Manufacturing And Materials Precinct
Location: Australia
Related Funding Activities
No related grants have been discovered for Aibing Yu.