• Title/Summary/Keyword: Molecular Flow

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Simultaneous analysis of concentration and flow fields in a stirred tank using large eddy simulation (대형 와 모사를 사용한 혼합 탱크 내의 농도장과 유동장의 동시 해석)

  • Yoon, Hyun-Sik;Ha, Man-Yeong
    • Proceedings of the KSME Conference
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    • 2003.04a
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    • pp.1972-1979
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    • 2003
  • Transport of a scalar quantity, such as chemical concentration or temperature, is important in many engineering applications and environmental flows. Here we report on results obtained from the large eddy simulations of flow and concentration fields inside the tank performed using a spectral multi-domain technique. The computations were driven by specifying the impeller-induced flow at the blade tip radius (Yoon et al. $^{(1)}$). This study focused on the concentration development at different molecular diffusivities in a stirred tank operated under turbulent conditions. The main objective of the work presented here is to study the large-scale mixing structure at different molecular diffusivities in a stirred tank by using the large eddy simulation. The time sequence of concentration and flow fields shows the flow dependency of the concentration development. The presence of spatial inhomogenieties is detailed by observing the time variation of local concentration at different positions.

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Study on Fluid Flow and Thermal Characteristics in a Nanoscale Channel Using MD Simulation (분자 동역학 시뮬레이션을 이용한 나노 스케일 채널 내에서의 유체 유동 및 열적 특성에 관한 연구)

  • Choi, Yong-Seok;Kim, Sung-Jin
    • Proceedings of the KSME Conference
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    • 2004.04a
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    • pp.1880-1884
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    • 2004
  • To analyze the fluid flow and thermal characteristics in a nanoscale system, the planar Poiseuille flow of a Lennar-Jones liquid through parallel plates formed by fixed atoms is studied using nonequilibrium molecular dynamics simulations. The role of important simulation parameters such as the channel width, the magnitude of external field, the temperatures of the top and bottom plates, and the interaction potential parameter between fluid and wall atoms, which affect flow patterns and heat transfer rate inside the channel, are investigated. Under the various simulation conditions, interesting phenomena deviated from the continuum predictions have found.

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Orientation and deformation of FENE dumbbells in confined microchannel and contraction flow geometry

  • Song, Sun-Jin;Kim, Ju-Min;Ahn, Kyung-Hyun;Lee, Seung-Jong;Yeo, Jong-Kee
    • Korea-Australia Rheology Journal
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    • v.19 no.3
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    • pp.147-156
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    • 2007
  • The orientation and deformation of polymer chains in a confined channel flow has been investigated. The polymer chain was modeled as a Finitely Extensible Nonlinear Elastic (FENE) dumbbell. The Brownian configuration field method was extended to take the interaction between the flow and local chain dynamics into account. Drag and Brownian forces were treated as anisotropic in order to reflect the influence of the wall in the confined flow. Both Poiseuille flow and 4 : 1 contraction flow were considered. Of particular interest was molecular tumbling of polymer chains near the wall. It was strongly influenced by anisotropic drag and high shear close to the wall. We discussed the mechanism of this particular behavior in terms of the governing forces. The dumbbell configuration was determined not only by the wall interaction but also by the flow type of the geometric origin. The effect of extensional flow on dumbbell configuration was also discussed by comparing with the Poiseuille flow.

A Numerical Study of a Free Molecular Flow in the Turbomolecular Pump (터보 분자 펌프(Turbomolecular pump)내의 자유 분자 유동에 관한 수치 해석적 연구)

  • Hwang, Y.K.;Heo, J.S.
    • Korean Journal of Air-Conditioning and Refrigeration Engineering
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    • v.8 no.2
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    • pp.219-229
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    • 1996
  • In the free molecular flow range, the pumping performance of a turbomolecular pump has been predicted by calculation of the transmission probability employing the integral method and the test particle Monte-Carlo method. The velocities of molecules incident upon a moving blade are given by the random numbers, which are sampled from the Maxwell molecular velocity distribution function. The present results agree quantitatively with the previous known numerical results. For a multi-stage pump, the velocity profile of molecules between two blade rows is not Maxwell distribution. In this case, the Monte-Carlo method is employed to calculate the overall transmission probability for the entire set of blade rows. When the results of the approximate method combining the single stage solutions are compared with those of the Monte-Carlo method for the pump having six rows at C=0.6, the approximate method overestimates as much as 36% in the maximum compression ratio and 19% in the maximum pumping speed than does the Mote-Carlo method.

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A Study on the Pumping Performance of a Disk-type Drag Pump (원판형 드래그펌프의 배기특성에 관한 연구)

  • Hwang, Young-Kyu;Heo, Joong-Sik;Choi, Wook-Jin
    • Transactions of the Korean Society of Mechanical Engineers B
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    • v.24 no.6
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    • pp.860-869
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    • 2000
  • Numerical and experimental investigations are performed for the molecular transition and slip flows in pumping channels of a disk-type drag pump. The flow occurring in the pumping channel develops from the molecular transition to the slip flow traveling downstream. Two different numerical methods are used in this analysis: the first one is a continuum approach in solving the Navier-Stokes equations with slip boundary conditions, and the second one is a stochastic approach through the use of the direct simulation Monte Carlo method. In the experimental study, the inlet pressures are measured for various outlet pressures in the range of 0.1{\sim}4Torr. From the present study, the numerical results of predicting the performance, obtained by both methods, agree well with the experimental data for the range of Knudsen number $Kn{\leq}0.1$ (i.e., the slip flow regime). But the results from the second method only agree with the experimental data for Kn>0.1(i.e., the molecular transition regime)

Analysis of Grain Size Controlled Rheology Materials Dynamics for Prediction of Solid Particles Behavior (레오로지 소재의 고상입자 거동 예측을 위한 결정립 동력학 해석)

  • Kim H.I.;Kang C.G.
    • Proceedings of the Korean Society of Precision Engineering Conference
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    • 2005.06a
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    • pp.1337-1340
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    • 2005
  • A rheology casting technology has some advantages compared with conventional forming processes such as die casting, squeeze casting and hot/cold forming. The liquid segregation is important on mechanical properties of materials using rheology casting. In this study, so, molecular dynamics simulations were performed for the control of liquid segregation. Because the dynamics of fluid flow about nano-scaled materials is completely different from continuum, molecular dynamics simulations were used. The behavior of particles was far from the truth according to boundary conditions in simple flow. But various movement of particles appear at two or more molecular simulations.

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Photoinduced Electron Transfer in Molecular Photodiode Consisted of Flavin-Viologen Hetero-LB Films (Flavin-Viologen 복합 LB막으로 구성된 분자광다이오드에서의 광유도 전자전달)

  • 김민진;최정우;정성욱;오세용;이원흥;신동명
    • Proceedings of the Korean Institute of Electrical and Electronic Material Engineers Conference
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    • 1995.11a
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    • pp.281-284
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    • 1995
  • A molecular photodiode was fabricated with hetero-Langmuir-Blodgett (LB) film consisting of an electron accepter(A) and sensitizer. N-Allyl-N-[3-propylamido-N\",N\"-야(n-octadecyl)]-4,4-bipyridum Dibromide and 7,8-dimethyl-10-dodecyl isoalloxan-zine were used as A and S units, respectively. By aligning hefter-LB film of A/S units on ITO glass with an aluminium thin film, a molecular photodiode with the structure of Metal/Insulator/Metal(MIM) was constructed. Due to excitation by irradiation with a 460nm monochromatic light source, the photo-induced unidirectional flow of electrons in the MIM device could be achieved and was detected as photocurrents. The direction of energy flow was in accordance with the energy level profile across the LB films. The photo switching function was achieved and the rectifying characteristics was obserbed in the molecular devise.

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The efficiency of subtraction technique in a nonequilibrium molecular dynamics simulation of a simple liquid shear flow (단순액체의 층밀리기 흐름에 대한 비평형 분자동력학 계산에서 공제방법의 효과)

  • 안성청
    • Journal of the Korea Society for Simulation
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    • v.6 no.1
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    • pp.53-60
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    • 1997
  • Results from a nonequilibrium molecular dynamics (NEMD) simulation are presented for an argon liquid subject to a shear flow. The segmented molecular dynamics method and the subtraction technique used in NEMD program to reduce the thermal fluctuation noise in data are studied with different shear rates. The standard deviation in the shear stress reduced from 0.030 to 0.004 by the segmented molecular dynamics method for 50 repeated segments. On the other hand, the standard deviation of the data remained the same when the subtraction technique was applied, where as the results of shear stress by constant value in a random way.

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Ameliorating effects of Cuscuta chinensis Lamak extract on hind-limb ischemia, and angiogenic- or inflammatory associated factors in ovariectomized mice

  • Hye Jin Kim;Hyun Yang;Dong Ho Jung;Joo Tae Hwang;Byoung‑Seob Ko
    • Molecular Medicine Reports
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    • v.19 no.4
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    • pp.3321-3329
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    • 2019
  • Cuscuta chinensis Lamak (CCL) has traditionally been used in Korea to treat sexual disorders and skin problems. The aim of the present study was to investigate the effects of CCL extract on surgical injury-induced ischemia in the hind limbs of mice. Specifically, female C57BL/6 mice were ovariectomized, and their hind-limb vessels were ligated with surgical silk (6-0) and excised. CCL (150 or 450 mg/kg/BW) was then administered to the mice for 3 weeks, and the blood flow rate was evaluated using a laser Doppler system at -7, 0, 7, 14 and 21 days following hind-limb ischemia. The serum expression profiles of angiogenic and inflammatory mediators were measured using an antibody array, and the transcript levels were reverse transcription-quantitative polymerase chain reaction. The rate of hind limb blood flow was normalized to non-ischemic lesions and revealed to be markedly elevated at 14 and 21 days following ischemia when compared with the vehicle group. The density of capillaries in the hind limbs was also significantly increased following treatment with CCL in a dose-dependent manner. In addition, the transcriptional expression of angiogenetic factors were upregulated, whereas that of inflammatory cytokines were downregulated. Finally, vascular endothelial cell migration and tube formation were evaluated in vitro using human umbilical vein endothelial cells (HUVECs) and identified to be significantly increased following treatment with CCL. Overall, the results of the present study indicate that CCL extract exhibits therapeutic potential for the treatment of hind-limb ischemia as it promotes peripheral angiogenic and anti-inflammatory effects in mice.

Steady Shear Flow Properties of Aqueous Poly(Ethylene Oxide) Solutions (폴리에틸렌옥사이드 수용액의 정상유동 특성)

  • Song, Ki-Won;Kim, Tae-Hoon;Chang, Gap-Shik;An, Seung-Kook;Lee, Jang-Oo;Lee, Chi-Ho
    • Journal of Pharmaceutical Investigation
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    • v.29 no.3
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    • pp.193-203
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    • 1999
  • In order to investigate systematically the steady shear flow properties of aqueous po1y(ethylene oxide) (PEO) solutions having various molecular weights and concentrations, the steady flow viscosity has been measured with a Rheometrics Fluids Spectrometer (RFS II) over a wide range of shear rates. The effects of shear rate, concentration, and molecular weight on the steady shear flow properties were reported in detail from the experimentally measured data, and then the results were interpreted using the concept of a material characteristic time. In addition, some flow models describing the non-Newtonian behavior (shear-thinning characteristics) of polymeric liquids were employed to make a quantitative evaluation of the steady flow behavior, and the applicability of these models was examined by calculating the various material parameters. Main results obtained from this study can be summarized as follows: (1) At low shear rates, aqueous PEO solutions show a Newtonian viscous behavior which is independent of shear rate. At shear rate region higher than a critical shear rate, however, they exhibit a shear-thinning behavior, demonstrating a decrease in steady flow viscosity with increasing shear rate. (2) As an increase in concentration and/or molecular weight, the zero-shear viscosity is increased while the Newtonian viscous region becomes narrower. Moreover, the critical shear rate at which the transition from the Newtonian to shear-thinning behavior occurs is decreased, and the shear-thinning nature becomes more remarkable. (3) Aqueous PEO solutions show a Newtonian viscous behavior at shear rate range lower than the inverse value of a characteristic time $1/{\lambda}_E$, while they exhibit a shear-thinning behavior at shear rate range higher than $1/{\lambda}_E$. For aqueous PEO solutions having a broad molecular weight distribution, the inverse value of a characteristic time is not quantitatively equivalent to the critical shear rate, but the power-law relationship holds between the two quantities. (4) The Cross, Carreau, and Carreau-Yasuda models are all applicable to describe the steady flow behavior of aqueous PEO solutions. Among these models, the Carreau-Yasuda model has the best validity.

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