• Title/Summary/Keyword: Particle Dynamics

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Prediction of solute rejection and modelling of steady-state concentration polarisation effects in pressure-driven membrane filtration using computational fluid dynamics

  • Keir, Greg;Jegatheesan, Veeriah
    • Membrane and Water Treatment
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    • v.3 no.2
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    • pp.77-98
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    • 2012
  • A two-dimensional (2D) steady state numerical model of concentration polarisation (CP) phenomena in a membrane channel has been developed using the commercially available computational fluid dynamics (CFD) package CFX (Ansys, Inc., USA). The model incorporates the transmembrane pressure (TMP), axially variable permeate flux, variable diffusivity and viscosity, and osmotic pressure effects. The model has been verified against several benchmark analytical and empirical solutions from the membrane literature. Additionally, the model is able to predict the rejection of an arbitrary solute by the membrane using a pore model, given some basic knowledge of the geometry of the solute molecule or particle, and the membrane pore geometry. This allows for predictive design of membrane systems without experimental determination of the membrane rejection for the specified operating conditions. A demonstration of the model is presented against experimental results for two uncharged test compounds (sucrose and PEG1000) from the literature. The model will be extended to incorporate charge effects, transient simulations, three-dimensional (3D) geometry and turbulent effects in future work.

Membrane Penetration and Translocation of Nanoparticles

  • Sin, Dong-Ju;Hyeon, Jeong-In;Sim, Eun-Ji
    • Proceeding of EDISON Challenge
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    • 2013.04a
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    • pp.139-151
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    • 2013
  • Understanding interactions between nanoparticles and lipid bilayer membranes is of great importance due to the potential applications in bio-nanotechnology such as drug deliveries, carrying genes, and utilization of integral membrane proteins. To investigate the dynamics of nanoparticle penetration and translocation into membranes, we performed dissipative particle dynamics simulations which use simple and intuitive coarse-grained models yet effectively describe hydrodynamic interactions in cell environment. We discuss the influence of the shape of nanoparticles as well as the properties of membranes including large membrane-embedded proteins that are found to significantly affect orientation of nanoparticles within membranes and, in turn, the minimum force required to translocate nanoparticles.

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Nanoparticle Synthesis by Pulsed Laser Ablation of Consolidated Microparticles (압밀 금속 마이크로 입자의 펄스 레이저 ABLATION에 의한 나노입자 합성)

  • 장덕석;오부국;김동식
    • Laser Solutions
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    • v.5 no.2
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    • pp.31-38
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    • 2002
  • This paper describes the process of nanoparticle synthesis by laser ablation of consolidated microparticles. We have generated nanoparticles by high-power pulsed laser ablation of Al, Cu and Ag microparticles using a Q-switched Nd:YAG laser (wavelength 355 nm, FWHM 5 ㎱, fluence 0.8∼2.0 J/㎠). Microparticles of mean diameter 18∼80 ㎛ are ablated in the ambient air The generated nanoparticles are collected on a glass substrate and the size distribution and morphology are examined using a scanning electron microscope and a transmission electron microscope. The effect of laser fluence and collector position on the distribution of particle size is investigated. The dynamics of ablation plume and shock wave is analyzed by monitoring the photoacoustic probe-beam deflection signal. Nanosecond time-resolved images of the ablation process are also obtained by laser flash shadowgraphy. Based on the experimental results, discussions are made on the dynamics of ablation plume.

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Nonequilibrium Molecular Dynamics Simulation Study on the Shear-Induced Orientational Change of Rodlike Molecules

  • Lee, Chang Jun;Sim, Hun Gu;Kim, Un Cheon;Lee, Song Hui;Park, Hyeong Suk
    • Bulletin of the Korean Chemical Society
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    • v.21 no.4
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    • pp.434-440
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    • 2000
  • We present the results of computer simulation for the steady shear flows of rodlike molecules using nonequi-librium molecular dynamics simulation (NEMD) method. The model particle is a rigid rod composed of lin-early connected 6-sites and the Lennard-Jones 12-6 potential governs interactions between sites in different molecules. The system of rodlike molecules exhibits the change of orientational structure, that is, isotropic-nematic transition at high shear rates. We elucidate the nature of the ordered system developed from an isotro-pic phase by steady shear through an analysis of various quantities: orientational order parameters, orientational pair correlation functions, orientational distribution function, and snapshots of configurations. The effects of temperature and density on the shear rate dependence of orientational structure are described.

Molecular Dynamics Simulation Studies of a Model System for Liquid Crystals Consisting of Rodlike Molecules in NPT Ensemble

  • Lee, Chang Jun;Sim, Hun Gu;Kim, Un Chun;Lee, Song Hui;Park, Hyeong Suk
    • Bulletin of the Korean Chemical Society
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    • v.21 no.3
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    • pp.310-316
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    • 2000
  • Molecular dynamics simulation studies for thermotropic liquid crystalline systems conposed of rodlike molecules with 6 Lennard-Jones interaction sites wre performed in NPT ensemble. Within the range of temperature studied, the system exhibited isotropic and smectic phase. For the characterization of the smectic phase, we examined the structure of the liquid crystalline phase via the radial distribution function, its longitudinal and transverse components to the director, and other orientational correlation function, its longitudinal and transverse components to the director, and other orientational correlation functions. In the smectic A phase, our results showed a large anisotropy in translational motion (i.e.,$D_⊥ >> D_∥$), and the decay of the collective orientational correlation function of rank two became slower than that of the single particle orientational correlation function of rank one. Comments on the spontaneous growth of orientational order directly from the isotropic phase are given.

CPFD Simulation of Bubble Flow in a Bubbling Fluidized Bed with Shroud Nozzle Distributor and Vertical Internal (CPFD 시뮬레이션을 통한 Shroud 노즐 및 수직 구조물이 설치된 기포 유동층 반응기 내에서의 기포 흐름 해석)

  • Lim, Jong Hun;Bae, Keon;Shin, Jea Ho;Lee, Dong Ho;Han, Joo Hee;Lee, Dong Hyun
    • Korean Chemical Engineering Research
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    • v.54 no.5
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    • pp.678-686
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    • 2016
  • The effect of internal and shroud nozzle distributor to bubbling fluidized beds which has the size of $0.3m-ID{\times}2.4m-high$ column was modeled by CPFD (Computational Particle-Fluid Dynamics). Metal-grade silicon particles (MG-Si) were used as bed materials which have $d_p=149{\mu}m$, ${\rho}_p=2,325kg/m^3$ and $U_{mf}=0.02m/s$. Total bed inventory and static bed height were 75 kg and 0.8 m, respectively. Effect of vertical internal on the bubble rising velocity was investigated. Bubbles were split by internal when the axial position of the internal from the distributor, z = 0.45 m. Bed pressure drop and axial solid holdup were not affected by internal. However, in the case that axial distance of internal from distributor was too close to jet penetration length, bubbles were not separated and bypassed internal, and faster than without internal or z = 0.45 m.

Solid Particle Behavior Analysis in Rheology Material by Fortran 90 (레오로지 소재의 고상입자 변형거동 해석)

  • Kwon, K.Y.;Kang, C.G.
    • Proceedings of the Korean Society for Technology of Plasticity Conference
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    • 2008.10a
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    • pp.234-237
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    • 2008
  • It was reported that the semi-solid forming process has many advantages over the conventional forming process, such as a long die life, good mechanical properties and energy savings. It is very important, however, to control liquid segregation to gain mechanical property improvement of materials. During forming process, Rheology material has complex characteristics, thixotropic behavior. Also, difference of velocity between solid and liquid in the semi-solid state material makes a liquid segregation and specific stress variation. Therefore, it is difficult for a numerical simulation of the rheology Process to be Performed. General Plastic or fluid dynamic analysis is not suitable for the behavior of rheology material. The behavior and stress of solid particle in the rheology material during forging process is affected by viscosity, temperature and solid fraction. In this study, compression experiments of aluminum alloy were performed under each other tool shape. In addition, the dynamics behavior compare with Okano equation to Power law model which is viscosity equation.

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Measurement of Fluid Dynamic Characteristics around Stenotic Obstruction in a Circular Channel

  • An, Jin-Hyo;Cheema, T.A.;Jeong, Seong-Ryong;Lee, Choon-Young;Kim, Gyu-Man;Park, Cheol-Woo
    • Journal of Advanced Marine Engineering and Technology
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    • v.35 no.7
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    • pp.921-929
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    • 2011
  • We measured experimentally the properties of fluid dynamics, velocity fields, and the pressure, around stenotic obstruction located inside a circular channel structure. Particle image velocimetry system was employed to obtain velocity fields at the central section of the circular channel in the streamwise direction. The stenosis model used was made of acrylic material with different stenotic aspect ratios. The working fluid was water and it was returned by a centrifugal pump system. Pressure measurements were carried out to validate the effect of a narrow passageway. Results showed that the acceleration of gap flow through stenotic obstruction and the pressure drop in the recirculation regime behind the stenosis model can be observed.

THE SMOOTHED PARTICLE HYDRODYNAMICS AND THE BINARY TREE COMBINED INTO BTSPH: PERFORMANCE TESTS

  • KIM W. -T.;HONG S. S.;YUN H. S.
    • Journal of The Korean Astronomical Society
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    • v.27 no.1
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    • pp.13-29
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    • 1994
  • We have constructed a 3-dim hydrodynamics code called BTSPH. The fluid dynamics part of the code is based on the smoothed particle hydrodynamics (SPH), and for its Poisson solver the binary tree (BT) scheme is employed. We let the smoothing length in the SPH algorithm vary with space and time, so that resolution of the calculation is considerably enhanced over the version of SPH with fixed smoothing length. The binary tree scheme calculates the gravitational force at a point by collecting the monopole forces from neighboring particles and the multipole forces from aggregates of distant particles. The BTSPH is free from geometric constraints, does not rely on grids, and needs arrays of moderate size. With the code we have run the following set of test calculations: one-dim shock tube, adiabatic collapse of an isothermal cloud, small oscillation of an equilibrium polytrope of index 3/2, and tidal encounter of the polytrope and a point mass perturber. Results of the tests confirmed the code performance.

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마멸입자가 운동이력이 다른 금속재료의 마찰 마멸현상에 미치는 영향

  • 황동환;김대은;이상조
    • Proceedings of the Korean Society of Precision Engineering Conference
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    • 1995.10a
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    • pp.807-810
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    • 1995
  • The effects of weae particles on the friiction and wear behavior of metals in dry sliding conditions are presented. The tribological test were performed using pure metal specimens which were selected based on their degrees of compatibility and hardness ratio. Friction and wear experiments were conducted using both pin-on-disk and reciprocating pin-on-plate type tribotesters to investigate the effect of motion history. Experimental results show that in the case of dry sliding the frictional behavior observed during pin-on-disk test differed form that of pin-on-reciprocator test for the given set of material pairs. The friction coefficient and wear rate were found to be higher for the pin-on-disk tests. It is suspected that the sliding motion of the pin affects the wear particle dynamics, which in turn influences the frictional behavior. The effect of material pair properties seemed to be relatively smaller than that of wear particles. The results of this paper is expected to aid in the design of mechanical systems for best tribological performance.

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