• Title/Summary/Keyword: Semi-empirical

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SERS Study of Quinoline Using the Silver Surface (Silver Surface를 이용한 Quinoline의 SERS 연구)

  • Lee, Chul-Jae;Jung, Maeng-Joon;Kim, Dong-Yeub
    • Journal of the Korean Society of Industry Convergence
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    • v.14 no.3
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    • pp.101-104
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    • 2011
  • In this study, the experiments for surface enhancement of silver surfaces were done, where we checked the characteristics of silver surfaces made by Tollen's method. The surface enhancement of Quinoline was analyzed by three kind of silver mirror substrates. The assignments of the vibrational bands shown in SERS spectra are given based on both literature and the semi-empirical calculations at the PM3 methods. Finally, we deduced that the adsorption orientation of quinoline was little tilted flat to the silver mirror surfaces by using of the surface selection rules.

Characteristics of Side force using Jet Vanes in a Shroud (Shroud로 감싸있는 제트 베인의 측력 특성)

  • Sung, Hong-Gye;Hwang, Yong-Seok
    • Journal of the Korean Society for Aeronautical & Space Sciences
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    • v.30 no.4
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    • pp.84-91
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    • 2002
  • Thrust vector characteristics of jet vanes installed in a shroud are very unique and much more complicated than those of the jet vane acting without any shroud by the fact of additional physical phenomena. The fluid dynamic interferences induced by jet vanes and shroud as well as jet vane's aerodynamic performance are investigated to characterize thrust vector control by semi-empirical model, three dimensional numerical analysis including real complex geometry, and ground firing test of real motors.

Model-Based Simulation Analysis of Wicking Behavior in Hygroscopic Cotton Fabric

  • Hong, Cheol-Jae;Kim, Byung-Jick
    • Journal of Fashion Business
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    • v.20 no.6
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    • pp.66-78
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    • 2016
  • Hygroscopic knitted cotton fabric was found to spontaneously absorb water showing a significantly wide concentration gradient in the absorption direction. A semi-empirical diffusion model was introduced to describe how the wicking behavior compared to the classical capillary model (Washburn's equation), which has been widely used in the textiles industry. The capillary sorption curve and the permeability coefficient, which are key variables for the model equations, were measured using an electronic balance. The concentration profile as a function of the wicking distance and the elapsed time was derived, based on the diffusion model. From the concentration profile, the wicking distance detectable by the human eye or a digital camera with the aid of an image-analysis system, could be described realistically as a function of the time. The classical capillary model could be modified by introducing the tortuous correction factor to match the diffusion model. Wicking models and data-processing techniques in the work could provide useful tools for objectively evaluating the textile's wicking performances.

Medium.Large Horizontal Axis Wind Turbine Noise Analysis Considering Blade Passing Frequency Noise and Retarded Time (블레이드 통과 주파수 소음과 지연시간을 고려한 중.대형 수평축 풍력발전기의 공력소음해석)

  • Kim, Hyun-Jung;Kim, Ho-Geon;Lee, Soo-Gab
    • Proceedings of the Korean Society for Noise and Vibration Engineering Conference
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    • 2007.11a
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    • pp.1490-1493
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    • 2007
  • Aerodynamic noise generated from wind turbines is predicted by it's classified source mechanisms using computational method. BPF noise according to the blade passing motion, is modelled on monopole and dipole sources. They are predicted by Farassat 1A equation. Airfoil self noise and turbulence ingestion noise are modelled upon quadrupole sources and are predicted by semi-empirical formulas composed on the groundwork of Brooks et al. and Lowson. Retarded time is considered, not only in low frequency noise prediction but also in turbulence ingestion noise and airfoil self noise prediction. Wind turbine noise emission of a 3MW wind turbine and a 600 kW wind turbine, standing for large and middle sized wind turbines, is analyzed.

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Theoretical Investigation of the Triphosphate Forms of Azidothymidine and Thymidine

  • Arissawa, Marcia;Felcman, Judith;Herrera, Juan Omar Machucca
    • BMB Reports
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    • v.36 no.3
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    • pp.243-250
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    • 2003
  • In this paper we investigate (using AM1 semi-empirical as well as HF methods at the STO-3G, 3-21G, 6-31G, 6-$31G^*$ and 6-31+$G^{**}$ level) the conformations, geometrical parameters, Mulliken charges, and solvation effects of the triphosphate form of AZT (AZTTP), as well as the thymidine nucleotide (dTTP) structure. Our calculated geometrical parameters and Mulliken charges, with and without solvation effects, are correlated with recent experimental results.

A Simple Microwave Backscattering Model for Vegetation Canopies

  • Oh Yisok;Hong Jin-Young;Lee Sung-Hwa
    • Journal of electromagnetic engineering and science
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    • v.5 no.4
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    • pp.183-188
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    • 2005
  • A simple microwave backscattering model for vegetation canopies on earth surfaces is developed in this study. A natural earth surface is modeled as a two-layer structure comprising a vegetation layer and a ground layer. This scattering model includes various scattering mechanisms up to the first-order multiple scattering( double-bounce scattering). Radar backscatter from ground surface has been modeled by the polarimetric semi-empirical model (PSEM), while the backscatter from the vegetation layer modeled by the vector radiative transfer model. The vegetation layer is modeled by random distribution of mixed scattering particles, such as leaves, branches and trunks. The number of input parameters has been minimized to simplify the scattering model. The computation results are compared with the experimental measurements, which were obtained by ground-based scatterometers and NASA/JPL air-borne synthetic aperture radar(SAR) system. It was found that the scattering model agrees well with the experimental data, even though the model used only ten input parameters.

Development of a Mechanistic Model for Hydrogen Generation in Fuel-Coolant Interactions

  • Lee, Byung-Chul;Park, Goon-Cherl;Chung, Chang-Hyun
    • Nuclear Engineering and Technology
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    • v.29 no.2
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    • pp.99-109
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    • 1997
  • A dynamic model for hydrogen generation by Fuel-Coolant Interactions(FCI) is developed with separate models for each FCI stage, coarse mixing and stratification. The model includes the physical concept of FCI, semi-empirical heat and mass transfer correlation and the concentration diffusion equation with the general non-zero boundary condition. The calculated amount of hydrogen, which is mainly generated in stratification, is compared with the FITS experiments. The model developed in this study shows a good agreement within a range of 10 % fuel oxidation rate and predicts the controlled mechanism of the chemical reaction very well. And this model predicts more accurately than the previous works. It is shown from the sensitivity study that the higher initial temperature of fuel particle is, the larger the reaction rate is. Up to 2700 K of temperature of the particle, the reaction rate increases rapid, which can lead to metal ignition.

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On an Analysis of Reflection and Transmission Coefficients by a Vertical Slit Plate (직립 슬릿판에 의한 반사율과 투과율 해석)

  • 조일형;김남형
    • Journal of Ocean Engineering and Technology
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    • v.16 no.3
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    • pp.1-7
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    • 2002
  • In this paper, a numerical model to analyze the performance of a vertical slit-type wave absorber is developed under the assumption of inviscid water waves. The formulation combines the linear potential theory with a semi-empirical description of the eddy-shedding at a slit-type wave absorber. We investigated the reflection coefficients over a wide frequency range for a vertical slit-type wave absorber both with and without a solid rear wall. Model test was conducted at KRISO' s two dimensional wave tank to validate the theoretical results. It is found that the agreement between theoretical results and experimental data is surprisingly good. We found that the wave absorbing system using a vertical slit plate has sufficient potentials for breakwaters for ocean development.

Ion Exchange Modeling in ETA and NH$_3$ Aqueous Solutions (ETA 및 암모니아 수용액에서 이온교환 모델링)

  • 안현경;김상대;이인형
    • Journal of the Korea Academia-Industrial cooperation Society
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    • v.4 no.3
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    • pp.307-311
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    • 2003
  • The test did for the determine the optimized ratio of cation to anion in mixed ion exchange demineralizers. Binary, ternary, quaternary, and quinary cation and anion adsorption was performed to develop a comprehensive experimental data set from small-volume batch tests to obtain the selectivity coefficients of many cations and anions. The quantitative run time might be estimated by such ion exchange models as semi-empirical mass action and surface complexation models. The demineralizer can be used longer by increasing the ratios of cation to anion exchange resins in the bed.

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Calculation and Analysis of Hydrophobicity of the Dyes Synthesized for Unmodified Polypropylene Fibers Using Molecular Descriptors

  • Kim, Tae-Kyeong;Jang, Kyung-Jin;Jeon, Seon-Hee
    • Textile Coloration and Finishing
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    • v.21 no.5
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    • pp.21-26
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    • 2009
  • In order to analyze numerically the hydrophobicity of the new dyes synthesized for unmodified pure polypropylene fibers, the octanol-water partition coefficient (logP), which is one of molecular descriptors representing hydrophobicity of organic compounds, was obtained by a semi-empirical method using Chem3D software. For the dyes of higher logP than around 5, the affinity of the dyes towards unmodified polypropylene fiber was substantial. In contrast to the new dyes for polypropylene, conventional disperse dyes have logP values lower than 5 and exhibited poor affinity.