• Membrane Journal
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• v.27 no.4
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• pp.358-366
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• 2017

The most important factor in the performances of polymer electrolyte membranes for fuel cells is how fast hydrogen ions can be transported along the water channel formed inside the electrolyte membrane. Since the morphology of the water channel and the diffusivity of the protons are very important factors for the proton transport behavior, various molecular dynamics simulation studies are being carried out to clarify this. The force-field is an important variable parameterizing the movement and interaction of each atom in molecular dynamics simulation. In this study, proton diffusivities of the 3D models of polymer electrolyte membranes were calculated in order to analyze the effects of various types of force-fields on the molecular simulation. It has been found that the charge value determining the non-bonding interaction plays a very important role in the formation of the water channel morphology, and the COMPASS force-field can calculate the accurate proton diffusion behavior. Accordingly, for molecular dynamics simulation of polymer electrolyte membranes, the proper selection of the force-field is very important due to its great effect on the proton diffusion as well as the final molecular structure.

• Bulletin of the Korean Chemical Society
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• v.34 no.9
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• pp.2711-2719
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• 2013

Hydrogen bonding interaction between alcohols and water molecules is an important characteristic in the aqueous solutions of alcohols. In this paper, a series of molecular dynamics simulations have been performed to investigate the aqueous solutions of low molecular weight alcohols (methanol, ethylene glycol and glycerol) at the concentrations covering a broad range from 1 to 90 mol %. The work focuses on studying the effect of the alcohols molecules on the hydrogen bonding of water molecules in binary mixtures. By analyzing the hydrogen bonding ability of the hydroxyl (-OH) groups for the three alcohols, it is found that the hydroxyl group of methanol prefers to form more hydrogen bonds than that of ethylene glycol and glycerol due to the intra-and intermolecular effects. It is also shown that concentration has significant effect on the ability of alcohol molecule to hydrogen bond water molecules. Understanding the hydrogen bonding characteristics of the aqueous solutions is helpful to reveal the cryoprotective mechanisms of methanol, ethylene glycol and glycerol in aqueous solutions.

• Transactions of the Korean Society for Noise and Vibration Engineering
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• v.24 no.6
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• pp.462-469
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• 2014

After drilling operations at the offshore plant, crude oil is producted under high pressure. After that time, oil recovery is reduced, because the pressure of the pipe inside is low during the secondary produce. At that time injection sea water at the pipe inside through water injection pump that the device increase to recovery. A variety of mathematical analysis during the detailed design analysis was not made through the dynamics characteristic at the domestic company. 2D model has reliability of analysis results for the uncomplicated model. Also element and the node the number of significantly less than in the 3D model. So, the temporal part is very effective. In addition, depending on the quality of mesh 3D is a real model and FEM model occurs error. So, user needs a lot of skill. In this paper, a 2D finite element analysis was performed through the dynamics analysis and the study model was validated.

• Korean Journal of Fisheries and Aquatic Sciences
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• v.37 no.1
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• pp.24-32
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• 2004

A mathematical model is used to investigate nitrogen dynamics in the intensive aquaculture ponds in the western coast of Korea. Parameters associated with water quality, sediments and growing of shrimp (Fenneropenaeus chinensis) are measured to calibrate the model for feeding ponds A and B and storage ponds. The model describes the fate of nitrogen including loadings of ammonia from feeds, phytoplankton assimilation, nitrification, sedimentation, volatilization and discharge. The model obtains good agreements with the measured values of TAN $(NH_4,\;NH_3),\;NO(NO_2,\;NO_3)$ and Chl (chlorophyll a). Impacts of water exchange on TAN and Chl are investigated, showing that the range of 0.01-0.2 (/day) cannot effectively reduce TAN but reduces Chl. Nitrogen in the ponds A is removed by sedimentation $66\%,$ volatilization $8\%,$ discharge of particulate and dissolved $8\%.$ The pond B shows $56\%\;and\;26\%$ of sedimentation and volatilization, respectively, to yield $10\%.$ decrease and 8c/o increase compared to those in the pond A. While the pond A has larger area (1.02:0.66 ha) and same stocking density (0.025 md./L) at the beginning of culture, the pond B obtains higher stocking density (0.0065:0.0091 md./L), longer feeding period (103:121 day) and resultant higher shrimp production (1.15:2.13 t/ha/cycle) at harvest. This is possibly due to the hydraulic characteristics driven by paddlewheels. At low ratio of the low speed area and the pond area, the rate of sedimentation is high, while the rate of gas exchange is low. Thus, the measurement and model analysis suggest that water quality and shrimp production are positively correlated with the hydraulic characteristics in the shrimp ponds.

• Environmental Engineering Research
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• v.25 no.4
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• pp.498-505
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• 2020

This study analyzes the velocity and pressure incurred by protruding shapes installed within the inlet part of a pressurized membrane module during operation to determine the fluid flow distribution. In this paper, to find the flow distribution within a module, it investigates the velocity and pressure values at cross-sectional and outlet planes, and 9 sections classified on outlet plane using computational fluid dynamics. From the Reynolds number (Re), the fluid flow was estimated to be turbulent when the Re exceeded 4,000. In the vertical cross-sectional plane, shape 4 and 6 (round-type protrusion) showed the relatively high velocity of 0.535 m/s and 0.558 m/s, respectively, indicating a uniform flow distribution. From the velocity and pressure at the outlet, shape 4 also displayed a relatively uniform fluid velocity and pressure, indicating that fluid from the inlet rapidly and uniformly reached the outlet, however, from detailed data of velocity, pressure and flowrate obtained from 9 sections at the outlet, shape 6 revealed the low standard deviations for each section. Therefore, shape 6 was deemed to induce the ideal flow, since it maintained a uniform pressure, velocity and flowrate distribution.

• Journal of computational fluids engineering
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• v.20 no.2
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• pp.1-6
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• 2015

In this study, a numerical prediction on propulsive performance of a ducted propeller in open water condition was carried out by solving Reynolds averaged Navier-Stokes(RANS) equation using computational fluid dynamics(CFD). A configuration of propeller Ka-470 inside duct 19A was considered. Hexahedral grid system was generated by dividing whole computational domain into three separate regions; propeller, duct and outer flow region. A commercial CFD software, ANSYS-CFX was used for numerical simulations. Results were compared with experimental data and showed considerable improvement in accuracy, in comparison to those from surface panel method which is based on potential flow assumption. The results also exhibited the importance of grid system within the gap between the inner surface of duct and blade tip for accurate prediction of propulsive performance of ducted propeller.

• Journal of Ocean Engineering and Technology
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• v.28 no.4
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• pp.345-350
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• 2014

A special usage impeller pump for ballast water treatment is part of an offshore plant's structure. It has to maintain a high corrosion resistance in an extreme environment, in which it can contact several kinds of aqueous solutions. The duplex stainless steel used in such severe environments is known to have corrosion resistance and excellent mechanical properties. This study estimated the performance of an impeller pump system designed using duplex stainless steel through a computational fluid dynamics analysis. As a result, it was determined that the pressure drop increases and the impeller performance is lowered if the equivalent roughness is enlarged. The surface precision of the duplex stainless steel must be consistently maintained. If thisis the case, it was determined that the existing STS steel can be substituted for the Duplex stainless steel.

• Journal of Korean Society of Water and Wastewater
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• v.28 no.2
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• pp.225-233
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• 2014

This paper presents a Computational Fluid Dynamics(CFD) based simulation and experimental tracer test of flow pattern and turbulent energy dissipation inside a serpentine flocculation basin with continuous operation. Research focused on the evaluation of a specific flow pattern on the hydraulic behavior on the flocculation basin. From the results of CFD simulation and actual tracer test, both results were in good accordance with each other. Also, each Morill index were calculated as 1.5 from CFD simulation and 1.7 from actual tracer test, respectively. Especially, turbulence energy was dissipated relatively higher in the vicinity of inlet to the flocculation basin than other region. The differences between the CFD simulation and actual tracer test were 1.4 min in $T_{50}$, and 1.3 min in $T_p$, respectively.

• International Journal of Naval Architecture and Ocean Engineering
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• v.2 no.3
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• pp.139-145
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• 2010

In the present study, we conducted resistance test, propeller open water test and self-propulsion test for a ship's resistance and propulsion performance, using computational fluid dynamics techniques, where a Reynolds-averaged Navier-Stokes equations solver was employed. For convenience of mesh generation, unstructured meshes were used in the bow and stern region of a ship, where the hull shape is formed of delicate curved surfaces. On the other hand, structured meshes were generated for the middle part of the hull and the rest of the domain, i.e., the region of relatively simple geometry. To facilitate the rotating propeller for propeller open water test and self-propulsion test, a sliding mesh technique was adopted. Free-surface effects were included by employing the volume of fluid method for multi-phase flows. The computational results were validated by comparing with the existing experimental data.

• Tribology and Lubricants
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• v.34 no.5
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• pp.175-182
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• 2018

Accumulation of coal ash at the boiler wall reduces combustion and fuel efficiency. The design of a wall blower is important to effectively remove coal ash. We present numerical results for the removal of coal ash from boiler walls of domestic coal-fired power plants, associated with the computational fluid dynamics for the flow from spray nozzle to boiler wall. The numerical model simulates an erosion process in which the multiphase fluid comprising saturated vapor and fluid water is sprayed from the nozzle, and the water particles impact the boiler wall. We adopt the Finnie erosion model for water particles. We obtain the erosion rate density as a function of nozzle angle and its injection angle. As excessive coal ash removal usually induces damage to the boiler wall, the removal operation typically focuses on a large area with uniform depth rather than the maximum removal of coal ash at a specific location. In order to estimate the removal performance of the wall blower nozzle considering several functionality and reliability factors, we evaluate the optimal injection and nozzle angles with respect to the biggest cumulative and highest erosion rates, as well as the widest range and lowest standard deviation of the erosion rate distribution.