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Parametric Study of DF-$CO_2$ Transfer Chemical Laser by the Numerical Model Simulation

  • Kim, Sung-Ho;Cho, Ung-In
    • Bulletin of the Korean Chemical Society
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    • v.11 no.6
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    • pp.527-530
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    • 1990
  • The effects of the concentration and the pressure of reactants on laser output were reported in the previous study. The present study is made of the following main parameters on laser characteristics; the initial temperature of the reaction mixture, inert gas (He) added in the reaction mixture, and the level of initiation as a function of time. As the initial temperature of reaction mixture decreases, both the output energy and the duration time increase. Especially, the output energy is linearly proportional to the inverse of the initial temperature. In order to obtain a proper lasing for a given condition, a sufficient amount of He must be added: The optimum ratio of [He] to $[D_2\;+\;F_2\;+\;CO_2]$ is found to be greater than 2. In addition, the time dependence of level of initiation (TDLI) shows no significant difference in total output energy from that of the premixed model, but only the power profile.

Implementation of Digital Frequency Synthesizer for High Speed Frequency Hopping (DDS를 이용한 고속 주파수 Hopping용 디지털 주파수 합성기 구현)

  • Kim Young-Wan
    • Proceedings of the Korean Institute of Information and Commucation Sciences Conference
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    • 2006.05a
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    • pp.607-610
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    • 2006
  • The Digital Frequency Synthesizer(DFS) that generates the wideband signal with hish speed frequency hopping rate and high frequency resolution characteristics was implemented in this paper. The DFS was applied as local oscillator for direct frequency conversion IF modules of DVB-RCS, which directly generates the transmission immediate frequency signal by using DDS and wideband PLL technologies. The DDS technology provides high speed frequency hopping rate and high frequency resolution characteristics, which ate also the DVB-RCS requirement. The wideband PLL technology also provides the wideband signal generation, which is a necessity for direct frequency conversion modules. The implemented DFS provide the spurious suppression characteristic of -50 dBc, frequency resolution of 0.233 Hz and frequency hopping rate of 125 ns, respectively. Also the DFS represent the amplitude flatness of 3 dB and less in the pass-band and phase noise characteristic of -75 dBc/Hz at 1 kHz frequency offset.

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Design and Implementation of Wideband Digital Frequency Synthesizer for DVB-RCS (DVB-RCS 전송을 위한 광대역 디지털 주파수 합성기 설계 및 구현)

  • Kim, Young-Wan
    • Journal of the Korea Institute of Information and Communication Engineering
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    • v.11 no.2
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    • pp.223-228
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    • 2007
  • The Digital Frequency Synthesizer(DFS) that generates the wideband signal with high speed frequency hopping rate and high frequency resolution characteristics was designed and implemented in this paper The DFS was applied as local oscillator for direct frequency conversion IF modules of DVB-RCS, which directly generates the transmission immediate frequency signal by using DDS and wideband PLL technologies. The DDS technology provides high speed frequency hopping rate and high frequency resolution characteristics, which are also the DVB-RCS requirement. The wideband PLL technology also provides the wideband signal generation, which is a necessity for direct frequency conversion modules. The implemented DFS provides the spurious suppression characteristic of -50 dBc and less, frequency resolution of 0.233 Hz and frequency hopping rate of 125 ns, respectively. Also the DFS represents the amplitude flatness of 3 dB and less in the pass-band, and phase noise characteristic of -75 dBc/Hz at 1 kHz frequency offset.

BLYP and mPW1PW91 Calculated Structures and IR Spectra of the Stereoisomers of Tetra-O-methylsulfinylcalix[4]arene

  • Choe, Jong-In
    • Bulletin of the Korean Chemical Society
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    • v.31 no.11
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    • pp.3247-3251
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    • 2010
  • Molecular structures of the various conformers for the four stereoisomers of tetra-t-butyl-tetra-O-methylsulfinylcalix[4]arene (1) were optimized using DFT BLYP and mPW1PW91/6-31G(d,p) (hybrid HF-DF) calculation methods. We have analyzed the total electronic and Gibbs free energies and normal vibrational frequencies of 16 different structures from four major conformations (cone (CONE), partial cone (PC), 1,2-alternate (1,2-A), 1,3-alternate (1,3-A)) of the four stereoisomers [1(rccc), 1(rcct), 1(rctt), 1(rtct)]. The mPW1PW91/6-31G(d,p) calculations suggested that the $1(rccc)_{CONE}$, $1(rcct)_{PC}$, $1(rctt)_{PC}$, and $1(rtct)_{1,3-A}$ were the most stable conformations of the respective stereoisomers. These outcomes are in accordance with the experimental structures obtained from X-ray crystallography. The electrostatic repulsion between the sulfinyl and methoxy groups is a primary factor for the relative stabilities of the four different conformations. The IR spectra of the most stable conformers [$1(rccc)_{CONE}$, $1(rcct)_{PC}$, $1(rctt)_{PC}$, $1(rtct)_{1,3-A}$] of each stereoisomer were compared to each other.

A Computational Investigation of the Stability of Cyclopropyl Carbenes

  • Baik, Woon-Phil;Yoon, Cheol-Hun;Koo, Sang-Ho;Kim, Byeong-Hyo
    • Bulletin of the Korean Chemical Society
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    • v.25 no.1
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    • pp.90-96
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    • 2004
  • The conformations of dicyclopropyl, isopropyl cyclopropyl, and diisopropylcarbenes were optimized using density functional theory (B3LYP/6-31G(d)). We showed that the optimized geometries of carbenes with cyclopropyl groups are fully in accord with those expected for bisected W-shaped conformations, in which the effective hyperconjugation of a cyclopropyl group with singlet carbene can occur. The stabilization energies were evaluated at the B3LYP/6-311+G(3df, 2p)//B3LYP/6-31G(d) + ZPE level using an isodesmic equation. The relative stability of carbenes is in the order $(c-Pr)_2$C: > (i-Pr)(c-Pr)C: > $(i-Pr)_2$C:, and a cyclopropyl group stabilizes carbene more than an isopropyl group by nearly 9 kcal/mol. Energies for the decomposition of diazo compounds to carbenes increase in the order $(c-Pr)_2$ < (i-Pr)(c-Pr) < $(i-Pr)_2$ by ~9 kcal/mol each. From a singlettriplet energy gap ($E_{ST}$) calculation, the singlet level is lower than the triplet level and the $E_{ST}$ shows a trend similar to the stabilization energy calculations. For comparison, the optimized geometries and stabilization energies for the corresponding carbocations were also studied at the same level of calculation. The greater changes in geometries and the higher stabilization energies for carbocations compared to carbenes can explain the greater hyperconjugation effect.

Accuracy Analysis of 2-D Direction Finding Based on Phase Comparison (위상비교 방식을 이용한 2차원 방향탐지 정확도 분석)

  • Chae, Myoung-Ho
    • The Journal of Korean Institute of Electromagnetic Engineering and Science
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    • v.28 no.8
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    • pp.653-660
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    • 2017
  • In this paper, the author analyzes direction finding accuracy based on phase comparisons to estimate elevation and azimuth angles of arrival signals. This paper considers the uniform array configurations using four and three elements. In that direction finding structures, I present the analytic expressions for estimated elevation and azimuth angles and then analyze the direction finding errors. And one presents the design guideline of direction finding system in comparison with aspects of accuracy, structure, the number of channels in that structures. The analysis result is similar with simulation one and has difference within $1.2^{\circ}RMS$. From the proposed analysis results, one knows that when SNR is 20 dB and the baseline is half of wavelength, the estimated elevation accuracy of the uniform array using four elements is 1.15 times better than the one of the uniform array using three elements and the estimated azimuth accuracy is same each other. In addition, one knows coning error is eliminated in 2-D direction finding structure.

A Development of Risk-Taking Behavior Forecasting Model of Taxi driver's Risk-Taking Propensity by Structural Analysis (택시운수업 종사자 위험성향 관련 변인들의 구조적 분석을 통한 위험감행 예측 모형 개발)

  • Park, Mi So;Yoon, Hyo Jin
    • KSCE Journal of Civil and Environmental Engineering Research
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    • v.32 no.4D
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    • pp.313-322
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    • 2012
  • This study analyzes taxi driver's risk-taking propensity with respect to risk-taking behaviour and traffic locus of control. In order to explore the traffic risk-taking, we present a predictive model by structural analysis of driver's risk-taking propensity. By applying this model to survey data from taxi drivers, we can observe that driver's risk-taking propensity has a significant impact on the traffic violation intention, and the higher perception of law and the lower lack of law-abiding drivers have, the more they tend to violate. Second, we test using multivariate analysis if the level of risk-taking propensity differs by the locus of control( external or internal). Drivers of external control shows higher risk-taking level compared to those of internal control so that the risk-taking propensity shows difference according to the locus of control for the responsibility of traffic accidents. The structural equation model of our study yielded ${\chi}^2$ = 279.7, ${\chi}^2$/df = 1.55, RMSEA = 0.44, GFI = 0.911, TLI = 0.916, CFI = 0.929.

mPW1PW91 Study of Complexation of Alkali Metal Ions with Mixed [2 + 2'] Calix[4]aryl Derivatives

  • Choe, Jong-In
    • Bulletin of the Korean Chemical Society
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    • v.33 no.10
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    • pp.3321-3330
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    • 2012
  • The complexation characteristics of mixed [2 + 2'] calix[4]aryl derivatives (3 and 4) with alkali metal cations were investigated by the mPW1PW91 (hybrid HF-DF) calculation method. The total electronic and Gibbs free energies of the various complexes (cone, partial-cone, 1,2-alternate, and 1,3-alternate) of sodium and potassium cations with 3 and 4 were analyzed and compared. The structures of the endo- or exo-complexes of the alkali metal cation with the host 3 were optimized using the mPW1PW91/6-31G(d) method, followed by mPW1PW91/6-311+G(d) calculations. The structures of the endo- or exo-complexes of the alkali metal cation with the host 4 were optimized using the mPW1PW91/6-31G(d,p) method. The mPW1PW91 calculated relative energies of the various conformations of the free hosts (3 and 4) suggest that the cone conformers of 3 and 4 are the most stable. The mPW1PW91calculations also suggest that the complexation efficiencies of the sodium ion with hosts 3 and 4 are about 24 and 27 kcal/mol better than those of the potassium ion, respectively. These trends are in good agreement with the experimental results. The exo-complexation efficiencies of the sodium ion toward the conformers of hosts 3 and 4 are roughly 14 and 17 kcal/mol better than those for the endo-$Na^+$-complexes of 3 and 4, respectively. The exo-complexation of the cone isomer of 3 with cation could be confirmed by the differences of the diagnostic C=O bands in the free host and its complex's IR spectra.

Theoretical Studies on the Addition Reactions of Ketene with NH3 in the Gas Phase and in Non-Aqueous Solutions

  • Kim, Chang-Kon;Lee, Kyung A;Chen, Junxian;Lee, Hai-Whang;Lee, Bon-Su;Kim, Chan-Kyung
    • Bulletin of the Korean Chemical Society
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    • v.29 no.7
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    • pp.1335-1343
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    • 2008
  • Theoretical studies on the un-catalyzed and catalyzed aminations of ketene with $NH_3$ and $(NH_3)_2$, respectively, were studied using MP2 and hybrid density functional theory of B3LYP at the 6-31+G(d,p) and 6- 311+G(3df,2p) basis sets in the gas phase and in benzene and acetonitrile solvents. In the gas phase reaction, the un-catalyzed mechanism was the same as those previously reported by others. The catalyzed mechanism, however, was more complicated than expected requiring three transition states for the complete description of the C=O addition pathways. In the un-catalyzed amination, rate determining step was the breakdown of enol amide but in the catalyzed reaction, it was changed to the formation of enol amide, which was contradictory to the previous findings. Starting from the gas-phase structures, all structures were re-optimized using the CPCM method in solvent medium. In a high dielectric medium, acetonitrile, a zwitterions formed from the reaction of $CH_2$=C=O with $(NH_3)_2$, I(d), exists as a genuine minimum but other zwitterions, I(m) in acetonitrile and I(d) in benzene become unstable when ZPE corrected energies are used. Structural and energetic changes induced by solvation were considered in detail. Lowering of the activation energy by introducing additional $NH_3$ molecule amounted to ca. −20 $\sim$ −25 kcal/mol, which made catalyzed reaction more facile than un-catalyzed one.

Extreme Learning Machine Approach for Real Time Voltage Stability Monitoring in a Smart Grid System using Synchronized Phasor Measurements

  • Duraipandy, P.;Devaraj, D.
    • Journal of Electrical Engineering and Technology
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    • v.11 no.6
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    • pp.1527-1534
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    • 2016
  • Online voltage stability monitoring using real-time measurements is one of the most important tasks in a smart grid system to maintain the grid stability. Loading margin is a good indicator for assessing the voltage stability level. This paper presents an Extreme Learning Machine (ELM) approach for estimation of voltage stability level under credible contingencies using real-time measurements from Phasor Measurement Units (PMUs). PMUs enable a much higher data sampling rate and provide synchronized measurements of real-time phasors of voltages and currents. Depth First (DF) algorithm is used for optimally placing the PMUs. To make the ELM approach applicable for a large scale power system problem, Mutual information (MI)-based feature selection is proposed to achieve the dimensionality reduction. MI-based feature selection reduces the number of network input features which reduces the network training time and improves the generalization capability. Voltage magnitudes and phase angles received from PMUs are fed as inputs to the ELM model. IEEE 30-bus test system is considered for demonstrating the effectiveness of the proposed methodology for estimating the voltage stability level under various loading conditions considering single line contingencies. Simulation results validate the suitability of the technique for fast and accurate online voltage stability assessment using PMU data.