Three‐dimensional wave impact on a rigid structure using smoothed particle hydrodynamics

Navier–Stokes computations of a wave–structure interaction are performed with the aim of assessing the potential of smoothed particle hydrodynamics to accurately estimate impact loading time history. A three‐dimensional dam‐break flow with a rectangular column located downstream is considered. The net force and impulse exerted on the column is monitored throughout the simulation with the results correlating well with existing experimental data. Initial and boundary conditions and numerical parameters are varied and their effect on the column load investigated. The column load is found to be most sensitive to the choice of boundary treatment. Copyright © 2011 John Wiley & Sons, Ltd.     

Dust modelling using a combined CFD and discrete element formulation

The production and dispersal of airborne dust is an important issue in both environmental and industrial contexts. Dust pollution is a major environmental concern, and long exposure in occupational settings has been linked with numerous respiratory health issues. Industrial dust pollution can also present a significant explosion hazard, even in facilities with dust extraction systems. Computational models for dust generation and dispersal have, however, generally been formulated for specific geophysical applications and restricted to static, two‐dimensional, approaches. Here, we present a method for simulating dust production from a dynamic granular bed by using a three‐dimensional coupled discrete element method and Navier–Stokes computational model. Dust production is based on an energy formulation in which micro‐scale dust particles are assumed to overcome cohesion to macro‐scale grains. This model is used over the entire range of energies present within the system, from macro‐scale collisions to aerodynamic entrainment and bombardment of micro‐scale particles. The dust concentration is modelled as a scalar density field, which is advected and diffused through turbulence in the gas flow field. The model is tested against empirical predictions for two test cases, a slug of granular material dropped from a set height and air flow over a granular stockpile. Both give good agreement to the empirical relations, showing that the model can accurately predict the production and subsequent dispersal of dust from a dynamic granular bed. Copyright © 2012 John Wiley & Sons, Ltd.     

Synthesis and characterization of silica-supported Preyssler nano particles and its catalytic activity for photodegradation of methyl orange

Abstract

Heteropolyacid (H₁₄ [NaP₅W₃₀O₁₁₀])/SiO₂ nano particles were synthesized by a micro emulsion technique. The morphology and size of these nano particles were characterized using, transmission electron microscopy and X-ray diffraction. In a designed photo reactor, the photo degradation of methyl orange as common azo dye pollutants in the environment was selected as a test reaction to estimate the catalytic activity of the synthesized nano particles and found to be excellent.     

Application of DEM modified with enlarged particle model to simulation of bead motion in a bead mill

We applied the discrete element method （DEM） of simulation modified by an enlarged particle model to simulate bead motion in a large bead mill. The stainless-steel bead mill has inner diameter of 102 mm and mill length of 198 mm. The bead diameter and filling ratio were fixed respectively at 0.5 mm and 85%. The agitator rotational speed was changed from 1863 to 3261 rpm. The bead motion was monitored experimentally using a high-speed video camera through a transparent mill body. For the simulation, enlarged particle sizes were set as 3-6 mm in diameter. With the DEM modified by the enlarged particle model, the motion of enlarged particles in a mill was simulated.The velocity data of the simulated enlarged particles were compared with those obtained in the experiment. The simulated velocity of the enlarged particles depends on the virtual frictional coefficient in the DEM model. The optimized value of the virtual frictional coefficient can be determined by considering the accumulated mean value. Results show that the velocity of the enlarged particles simulated increases with an increase in the optimum virtual frictional coefficient, but the simulated velocity agrees well with that determined experimentally by optimizing the virtual frictional coefficient in the simulation. The computing time in the simulation decreases with increased particle size.     

WATER MOVEMENT CAUSED BY SPREADING SURFACTANTS IN UNSATURATED SYSTEMS OF PARTICLES OF NONUNIFORM SIZE

The movement of water originated by the spreading of two surfactants was analyzed in glass beads as well as on soil systems, both of particles of nonuniform size

The higher difference of surface tension produced in the system by 1 -hexadecanol compared to that of 1-tetradecanol led therefore to a higher amount of water moved. Decreased proportion of the smaller sized particles in glass beads system produced a decrease in the total water moved by both surfactants.

Organic matter acted in soil as a second surfactant in glass beads. This effect was compared in glass beads systems once 1-hexadecanol was evenly distributed among the particles as continuous film, which played a role alike that of organic matter in soil and then a second surfactant 1-tetradecanol was added. These additional surfactant effect diminished the difference between initial and final surface tension (surface tension depression) of the system and so the total water moved.

The soil organic matter (1.7%) modified the water movement curve in the presence of low (0.2g) content of 1-hexadecanol, whereas for high content of either alcohol (0.4g) or low content of 1-tetradecanol content (0.2g) the water movement curves were the same     

Synthesis,physicochemical characterization and biological activity of nano complexes of iron(III) of 3(2'‐hydroxyphenyl)‐5‐(4′‐substituted phenyl) pyrazolines and aspartic acid

Mixed ligand complexes of Iron(III) with aspartic acid and 3(2′‐hydroxy phenyl)‐5‐(4′‐substituted phenyl) pyrazolines of type [Fe(C₄O₄NH₆)₂(C₁₅H₁₂N₂OX)] and [Fe(C₄O₄NH₆)(C₁₅H₁₂N₂OX)₂], where (C₄O₄NH₆) = aspartate, (C₁₅H₁₂N₂OX) = deprotonated 3(2′‐hydroxyphenyl)‐5‐(4′‐substituted phenyl) pyrazolines (X = H, CH₃, OCH₃, Cl), have been synthesized. These newly synthesized derivatives have been physicochemically characterized by elemental analysis (C, H, N, Cl and Fe), magnetic moment data, thermogravimetric analysis, molar conductance, cyclic voltammetry, spectral analysis (UV–visible, IR, far IR and fast atom bombardment mass spectrometry). Scanning electron microscopy, transmission electron microscopy and X‐ray powder diffraction studies have been carried out for powdered samples, which show nanometric particles of these derivatives. Antibacterial and antifungal potential of free pyrazoline and some iron(III) complexes have been evaluated. Copyright © 2012 John Wiley & Sons, Ltd.     

蒙特卡罗计算中颗粒型燃料的随机分布模型比较

高温气冷堆是新一代反应堆系统的热门候选堆型，已经受到国际上越来越多的关注。为设计和分析这种堆型，因其特有的包覆颗粒燃料引入了双重非均匀性，需要应用随机分布模型。对粗网格模型、细网格随机(FLS)模型、随机顺序添加(RSA)模型、子网格随机(Sub-FLS)模型和Metropolis模型等进行了研究，通过计算分析比较给出了各种模型的优缺点。结果表明:子网格随机模型和连续的RSA模型非常接近参考值，但是连续RSA模型的建模时间随着燃料体积份额的增加连续快速上升。 Key words: coated particle fuels; stochastic transport model; Monte Carlo; random distribution     

Dynamic modeling of the morphology of latex particles with in situ formation of graft copolymer

Modification of the polymer–polymer interfacial tension is a way to tailor‐make particle morphology of waterborne polymer–polymer hybrids. This allows achieving a broader spectrum of application properties and maximizing the synergy of the positive properties of both polymers, avoiding their drawbacks. In situ formation of graft copolymer during polymerization is an efficient way to modify the polymer–polymer interfacial tension. Currently, no dynamic model is available for polymer–polymer hybrids in which a graft copolymer is generated during polymerization. In this article, a novel model based on stochastic dynamics is developed for predicting the dynamics of the development of particle morphology for composite waterborne systems in which a graft copolymer is produced in situ during the process. © 2012 Wiley Periodicals, Inc. J Polym Sci Part A: Polym Chem, 2012     

Shear modulus determination in model hydrogels by means of elongated magnetic nanoprobes

The mechanical characterization of complex soft matter by quasi-static magnetometry using nanoscopic magnetic probes is demonstrated for model hydrogels doped with two types of elongated magnetic nanoparticles. Chemically crosslinked poly(acrylamide) (PAAm) hydrogels serve as the matrix in which nickel nanorods or weakly magnetized hematite (α-Fe₂O₃) ellipsoids are embedded as local probes. We investigated the swelling behavior of the ferrogels in order to verify that their equilibrium swelling degree in water is not influenced by the probes, shows a good correlation with the Frenkel–Flory–Rehner model. The proposed magnetomechanical method relies on a correlation between the shear modulus of the PAAm hydrogel matrix and the coercive fields of the corresponding isotropic ferrogels. By extending the Stoner–Wohlfarth model for single-domain blocked magnetic particles by a term for particle rotation in an elastic matrix, information on the shear modulus of the matrix can be obtained. Comparison of the results with the expected relation from rubber elasticity theory illustrates both the general potential as well as the limits of the approach. © 2012 Wiley Periodicals, Inc. J Polym Sci Part B: Polym Phys, 2012