• Title/Summary/Keyword: Semi-empirical

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SERS Study of Bromothymol Blue Using the Silver Mirror substrate (Silver Mirror Substrate를 이용한 Bromothymol Blue의 SERS 연구)

  • Lee, Chul-Jae;Jung, Maeng-Joon;Kim, Dong-Yeub
    • Journal of the Korean Society of Industry Convergence
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    • v.15 no.2
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    • pp.43-47
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    • 2012
  • In this study, the experiments for surface enhancement of silver mirror substrate were done, where we checked the characteristics of silver mirror substrate made by Tollen's method. The surface enhancement of Bromothymol blue 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 bromothymol blue was little tilted flat to the silver mirror surfaces by using of the surface selection rules.

SERS Study of Eriochrome Black T Using the Silver Mirror Substrates (Silver Mirror Substrate를 이용한 Eriochrome Black T의 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.1
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    • pp.23-27
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    • 2011
  • In this study, the experiments for surface enhancement of silver mirror substrates were done, where we checked the characteristics of silver mirror substrate made by Tollen's method. The surface enhancement of Eriochrome Black T(EBT) was analyzed by silver mirror substrates. We observed the SERS spectra of EBT. 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 EBT was little tilted perpendicular to the silver mirror surfaces by using of the surface selection rules.

A Lattice Model Based on Molecular Clusters for Supercritical Fluids (초임계 유체를 위한 분자 클러스터 기반의 격자모델)

  • Shin, Moon-Sam
    • Proceedings of the KAIS Fall Conference
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    • 2010.05b
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    • pp.961-964
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    • 2010
  • A semi-empirical fluctuation term is presented to improve a classical equation of state (EOS) for volumetric properties in the critical region. The term is based on the two assumptions: (1) The Helmholtz energy is individually divided into classical and long-range density fluctuation contribution (2) All molecules form cluster near the critical region due to long-range density fluctuation. To formulate such molecular cluster, we extended the Veytsman statistics originally developed for the cluster due to hydrogen bonding. The probability function in the statistics is modified to represent the characteristics of long-range density fluctuation vanishing far from critical region. The proposed fluctuation contribution was incorporated into the Sanchez-Lacombe EOS and the combined model with 6 adjustable parameters has been tested against experimental VLE data. The combined model is found to well represent flatten critical isotherm for methane and top of the coexistence curve for the tested components. The prediction results for caloric data are in good agreement with the experimental data.

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Mutual Coupling Capacitance and Cross-talk in TFT-LCD

  • Yun, Young-Jun;Jung, Soon-Shin;Kim, Tae-Hyung;Roh, Won-Yeol;Choi, Jong-Sun
    • 한국정보디스플레이학회:학술대회논문집
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    • 2000.01a
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    • pp.71-72
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    • 2000
  • The design of large area thin film transistor liquid crystal displays (TFT-LCDs) requires consideration of cross-talks between the data lines and pixel electrodes. These limits are imposed by the mutual coupling capacitances present in a pixel. The mutual coupling capacitance causes a pixel voltage error. In this study, semi-empirical model, which is adopted from VLSI interconnection capacitance calculations, is used to calculate mutual coupling capacitances. With calculated mutual coupling capacitances and arbitrary given image pattern, the root mean square (RMS) voltage of pixel is calculated to see vertical cross-talk from the first to the last column. The information obtained this study can be utilized to design the larger area and finer image quality panel.

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Approach to Characterization of a Diode Type Corona Charger for Aerosol Size Measurement

  • Intra Panich;Tippayawong Nakorn
    • KIEE International Transactions on Electrophysics and Applications
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    • v.5C no.5
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    • pp.196-203
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    • 2005
  • A semi-empirical method to determine the electrostatic characteristics of a diode type corona aerosol charger based on ion current measurement and electrostatic charging theory was presented. Results from mathematical model were in agreement with those from experimental investigation of the charger. Current-voltage characteristics, $N_{i}t$ product and charge distribution against aerosol size were obtained. It was shown that the space charge was significant and must be taken into account at high ion number concentration and low flow rate. Additionally, significant particle loss was evident for particles smaller than 20 nm in diameter where their electrical mobility was high. Increase in charging efficiency may be achieved by introducing surrounding sheath flow and applying AC high voltage. Overall, the approach was found to be useful in characterizing the aerosol charger.

Voltage Time characteristic of electrical breakdown in $SF_6$ ($SF_6$ 가스중 V-t절연파괴특성)

  • Seo, Kil-Soo;Kim, Ik-Soo
    • Proceedings of the KIEE Conference
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    • 1997.07e
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    • pp.1770-1772
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    • 1997
  • In this paper, Voltage-time characteristics of lightning impulse and switching surge breakdown in SF6 is studied on the gap and various pressure. The characteristics is categorized into three pattern depending on the configuration of the gap and gas pressure. The properties of the voltage-time characteristics in these patterns are generalized as semi-empirical formula which will be useful in the quantitation voltage evaluation of insulation coordination and the abnormal voltage protection of SF6 insulated power equipment.

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Performance Prediction of Aluminized High Energy Propellant (알루미늄을 이용한 고에너지 추진제의 성능 예측)

  • 임유진
    • Proceedings of the Korean Society of Propulsion Engineers Conference
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    • 1996.05a
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    • pp.121-127
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    • 1996
  • To compare the performance of aluminized solid propellants, the theoretical calculation was performed for the propellants using HTPB and PEG binder and four kinds of oxidizers such as AP, HMX, ADN, and HNIW. PEG/HMX/Al and PEG/HNIW/Al showed the maximum performance at 17% of aluminum level and there was no difference in maximum performance when HMX was partially replaced with AP in PEG/HMX/AP/Al propellant. The order of performance magnitude of various propellants which the specific impulse loss calculation was considered by semi-empirical equation was like the following; PEG/HNIW/AI>[$\frac{PEG/HMX/AI}{PEG/HMX/AP/AI}$>HTPB/AP/AI>PEG/ADN/AI

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Performance Analysis of Water/Air Direct Contact Air Conditioning System (물-공기 직접접촉식 공기조화장치의 성능해석)

  • 유성연;권화길;김광영
    • Korean Journal of Air-Conditioning and Refrigeration Engineering
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    • v.16 no.2
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    • pp.175-183
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    • 2004
  • Performance of the water/air direct contact air conditioning system, in which heat and mass are directly transferred between air and water droplet, is simulated using semi-empirical method. Direct contact system improves transport efficiency compared to conventional indirect contact system. In this study, correlations for h$_{c}$A / c$_{pm}$ which represent the capacity of direct contact system are derived as a function of air and water flowrate from the experimental data. Cooling and heating performance of the water/air direct contact air conditioning system are evaluated using these correlations.ons.

Experimental study on characteristics of two-phase flow through a bypass-orifice expansion device (바이패스 오리피스 팽창장치의 유동 특성에 관한 실험적 연구)

  • Choi, J.M.;Kim, Y.C.
    • Korean Journal of Air-Conditioning and Refrigeration Engineering
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    • v.11 no.1
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    • pp.109-116
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    • 1999
  • To establish optimum cycle of the inverter-driven heat pump with a variation of frequency, the bypass orifice, which is a short tube having a bypass hole in the middle, was designed and tested. Flow characteristics of the bypass orifice were measured as a function of orifice geometry and operating conditions. Flow trends with respect to frequency were compared with those of short tube orifices and capillary tubes. Generally, the bypass orifice showed the best flow trends among them, that will enhance the seasonal energy efficiency ratio of an inverter heat pump system. Based on experimental data, the semi-empirical flow model was developed to predict mass flow rate through bypass orifices. The maximum difference between measured data and model's prediction was within ${\pm}5%$.

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Synthesis and Characterization of Stereospecific 1-Propargyl-2-(dimethoxymethyl)-1- cyclohexanols

  • Lin, Juwhan;Kim, Sang-Il;Lee, Seung-Yong;Kim, Yong-Hyun;Lee, Kee-Young;Oh, Chang-Young;Ham, Won-Hun
    • Archives of Pharmacal Research
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    • v.23 no.2
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    • pp.104-111
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    • 2000
  • Stereochemical isomers with hydroxy groups were synthesized by reacting 2-(dimethoxy-methyl)cyclohexanone with propargylmagnesium bromide. The stereo chemical structures were identified by NMR spectral interpretation and the geometry optimization. To assist the NMR interpretation, geometry optimization based on semi-empirical AM1 and PM3 methods was applied. Throughout this study, the structures of the two isomers were all determined and $^{1}H$ and $^{13}C$ NMR spectra were fully assigned. It was proven that the less polar isomer is an axial alcohol and the more polar one is an equatorial alcohol.

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