• Title/Summary/Keyword: 전이 엔트로피

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Statistical thermodynamics of Physical Adsorption of Benzene and p-Xylene (벤젠과 p-크실렌의 물리흡착에 대한 통계열역학적 고찰)

  • Ahn Woon-Sun;Lee Kwang Soon;Gwak, Hyeon Tae
    • Journal of the Korean Chemical Society
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    • v.22 no.5
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    • pp.289-294
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    • 1978
  • In this paper, for the purpose of studying the adsorbed states of benzene and p-xylene molecules on both of the Spheron 6(graphitized carbon) and the Alucer(aluminium oxides), we have calculated the differential molar entropies of adsorption in the Submonolayer region, by the use of statistical thermodynamics. The models we have adopted are two-dimensional gases and the harmonic oscillators. The values calculated in this way are compared with experimental values. As a result, it is believed that the adsorbed benzene molecules are localized on the Spheron 6, whereas on the Alucer it is nonlocalized. The molecular frequency, which is an adjustable parameter and is introduced as a result of oscillator model is $10^{11}\;sec^{-1}$ in the order of magnitude. For the case of p-xylene molecules adsorbed on these adsorbents, an abnormal result is obtained quite prior to the monolayer coverage, contrarily to the expectation of similar results as for the case of benzene.

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Pressure Effect on the Aquation of trans-[Cr(tn)$_2Cl_2]^+$ and trans-[Cr(en)(tn)Cl$_2]^+$ Complex Ions (trans-[Cr(tn)$_2Cl_2]^+$ 및 trans-[Cr(en)(tn)Cl$_2]^+$ 착이온의 수화반응에 미치는 압력효과)

  • Jong-Jae Chung;Jong-Ha Choi;Deog-Jin Kim
    • Journal of the Korean Chemical Society
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    • v.31 no.5
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    • pp.375-381
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    • 1987
  • Rates for the aquation of trans-[Cr(tn)$_2Cl_2]^+$ and trans-[Cr(en)(tn)Cl$_2$]^+$ ions in aqueous acidic solution have been measured by spectrophotometric method at various temperatures and pressures. Activation volumes are negative and lie in the limited range -1.7 ∼ -2.9cm$^3$mol$^{-1}$ or the complex ions. Activation entropies and activation compressibility coefficients are small negative values. From the results of thermodynamic parameters, it can be inferred that the aquation of the complex ions proceed through an associative interchange(Ia) mechanism. Furthermore, the information on possible transition state structure and reaction paths can be obtained by considering total stabilization energy of the hypothetical intermediates within the framework of angular overlap model. It is found that the theoretically predicted mechanism is consistent with the experimentally observed results.

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Application of Monte Carlo Simulation to Intercalation Electrochemistry I. Thermodynamic Approach to Lithium Intercalation into LiMn2O4 Electrode

  • Kim, Sung-Woo;Pyun, Su-Il
    • Journal of the Korean Electrochemical Society
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    • v.5 no.2
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    • pp.79-85
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    • 2002
  • The present article is concerned with the application of the Monte Carlo simulation to electrochemistry of lithium intercalation from the thermodynamic view point. This article first introduced the fundamental concepts of the ensembles, and Ising and lattice gas models in statistical thermodynamics for the Monte Carlo simulation in brief. Finally the Monte Carlo method based upon the lattice gas model was employed to analyse thermodynamics of the lithium intercalation into the transition metal oxides. Especially we dealt with the thermodynamic properties as the electrode potential curve and the partial molar internal energy and entropy of lithium ion in the case of the $LiMn_2O_4$ electrode, and consequently confirmed the utility of the Monte Carlo method in the field of electrochemistry of the lithium intercalation.

A Method of ISAR Geometric Calibration for Point Target Using Impulse-Radio UWB (임펄스 초광대역 레이다를 이용한 점표적의 ISAR 기하 보정 방법)

  • Yu, Jiwoong;Nikitin, Konstantin;Paek, Inchan;Jang, Jong Hun;Ka, Min-Ho
    • The Journal of Korean Institute of Electromagnetic Engineering and Science
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    • v.26 no.4
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    • pp.397-403
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    • 2015
  • In this paper, a method of ISAR geometric calibration is represented by using impulse-radio UWB radar. The ir-UWB is good for using a signal processing in time domain, so, it does not occur a multi-path or coupling problem. If a signal that between antennas and target is assumed a plane wave, a center of rotation in ISAR geometry model can be estimated by using point target. Before image is reconstructed with sinogram, the center of rotation can be calculated by using least square fitting. This method can be obtained a more contrast image, and a maximum value of entropy of image. The method, that estimates a center of rotation in received data, will be used a initial setup of instruments or a periodic compensation to reconstruct image. It would be useful in medical, security and surveillance imaging equipments that have a fixed geometry.

Definition and Analysis of Shadow Features for Shadow Detection in Single Natural Image (단일 자연 영상에서 그림자 검출을 위한 그림자 특징 요소들의 정의와 분석)

  • Park, Ki Hong;Lee, Yang Sun
    • Journal of Digital Contents Society
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    • v.19 no.1
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    • pp.165-171
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    • 2018
  • Shadow is a physical phenomenon observed in natural scenes and has a negative effect on various image processing systems such as intelligent video surveillance, traffic surveillance and aerial imagery analysis. Therefore, shadow detection should be considered as a preprocessing process in all areas of computer vision. In this paper, we define and analyze various feature elements for shadow detection in a single natural image that does not require a reference image. The shadow elements describe the intensity, chromaticity, illuminant-invariant, color invariance, and entropy image, which indicate the uncertainty of the information. The results show that the chromaticity and illuminant-invariant images are effective for shadow detection. In the future, we will define a fusion map of various shadow feature elements, and continue to study shadow detection that can adapt to various lighting levels, and shadow removal using chromaticity and illuminance invariant images.

Shape Optimization of High Power Centrifugal Compressor Using Multi-Objective Optimal Method (다목적 최적화 기법을 이용한 고출력 원심압축기 형상 최적설계)

  • Kang, Hyun Su;Lee, Jeong Min;Kim, Youn Jea
    • Transactions of the Korean Society of Mechanical Engineers B
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    • v.39 no.5
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    • pp.435-441
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    • 2015
  • In this study, a method for optimal design of impeller and diffuser blades in the centrifugal compressor using response surface method (RSM) and multi-objective genetic algorithm (MOGA) was evaluated. A numerical simulation was conducted using ANSYS CFX with various values of impeller and diffuser parameters, which consist of leading edge (LE) angle, trailing edge (TE) angle, and blade thickness. Each of the parameters was divided into three levels. A total of 45 design points were planned using central composite design (CCD), which is one of the design of experiment (DOE) techniques. Response surfaces that were generated on the basis of the results of DOE were used to determine the optimal shape of impeller and diffuser blade. The entire process of optimization was conducted using ANSYS Design Xplorer (DX). Through the optimization, isentropic efficiency and pressure recovery coefficient, which are the main performance parameters of the centrifugal compressor, were increased by 0.3 and 5, respectively.

Kinetics for the Reaction of Benzyl Benzenesulfonate with Pyridine in Acetone Under High Pressure (Benzyl Benzenesulfonate와 피리딘과의 고압반응에 대한 반응속도론적 연구)

  • Jung-Ui Hwang;Soo-Dong Yoh;Jong-Gi Jee
    • Journal of the Korean Chemical Society
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    • v.24 no.2
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    • pp.150-154
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    • 1980
  • Kinetic studies of the reaction of benzyl benzenesulfonate with pyridine in acetone were carried out by the electric conductivity method under 1 to 2000 bars and at 20 to $40^{\circ}C$. The rate increases with increasing pressure and temperature. The activation enthalpy $({\Delta}H^{\neq}),\;entropy\;({\Delta}S^{\neq})$ and activation volume $({\Delta}V^{\neq})$ of the reaction are obtained by the above experiment. The isokinetic relationship between $({\Delta}H^{\neq})\;and\;({\Delta}S^{\neq})$ for pressure change in the reaction was shown, and its isokinetic temperature was $342^{\circ}K$. From all of the above results it was found that this reaction precedes on the $S_N2$ reaction mechanism in which the rate of the reaction was determined by $C{\cdots}N$ bond formation at transition state.

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The Effect of Pressure on the Electrophilic Substitution Reaction of Tetramethyltin with Iodine (Tetramethyltin과 Iodine의 친전자 치환반응에 대한 압력의 영향)

  • Kwun Oh Cheun;Lee Young Hoon
    • Journal of the Korean Chemical Society
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    • v.37 no.6
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    • pp.555-561
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    • 1993
  • Ultraviolet spectrophotometric investigation has been carried out on the system of iododestannylation iodine and tetramethyltin in methanol. The transient CT absorption spectrum can be observed and the subsequent disappearance of CT absorption spectrum was accompained by the cleavage of tetramethyltin with iodine. From there, the rate constants for the iododestannylation were determined at 10, 25 and 35$^{\circ}C$ up to 1600 bar and the reaction rates were increased with increasing temperature and pressure. From these rate constants, the values of the activation parameters (${\Delta}V^\neq,\;{\Delta}{\beta}^{\neq},\;{\Delta}H^{\neq},\;{\Delta}S^{\neq}\;and\;{\Delta}G^{\neq}$) were obtained. The activation volumes and activation compressibility coefficients were both negativity. The activation enthalpies were positive and activation entropies had large negative values. From these values discussed in terms of solvent structure variation of transition state and mechanism. From these results, it was found that the reaction is followed with $S_E2$ mechaenism and weakened $S_E2$ mechanism nature by increasing pressure.

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Implementation of Fuzzy Comprehensive Evaluation System for Multi-level Decision Making (다층 의사결정을 위한 퍼지 포괄 평가 시스템 구축)

  • Park, Yong Kuk;Lee, Min Goo;Jung, Kyung Kwon;Won, Young-Jin
    • Journal of the Institute of Electronics and Information Engineers
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    • v.52 no.7
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    • pp.169-177
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    • 2015
  • This paper described a fuzzy comprehensive evaluation method and implemented assessment system for multi-layer decision making. The proposed method is a assessment before bidding through the key questions using fuzzy comprehensive evaluation method and the entropy weights. The key questions are given by the wider investigation of major sports event organizers. The paper carried out evaluation of single factor and fuzzy comprehensive evaluation from low layer to high layer step by step. In order to verify the effectiveness of proposed method, we built the sports event management service platform (SEMSP) for assessment of applicant city. This method represents a unified one of the quantitative results and the qualitative results based on the judgment of experts.

Assessing and Mapping Regional Vulnerability to Agricultural Drought (농업가뭄 취약성 평가 및 가뭄취약지도 작성)

  • Mun, Young-Sik;Nam, Won-Ho;Jeon, Min-Gi;Lee, Seung-Yong;Lee, Kwangya
    • Proceedings of the Korea Water Resources Association Conference
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    • 2020.06a
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    • pp.155-155
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    • 2020
  • 최근 전 세계적으로 기후변화 및 이상기후로 인해 홍수, 가뭄과 같은 수자원과 관련된 재해들의 빈도가 증가하고 있는 추세이다. 가뭄은 발생 시작 및 종료 시기가 명확하지 않고, 그 피해가 광범위한 특징으로 인해 농업분야에 직접적인 피해를 주고 있으며, 농산물 생산성 및 안정적인 농업용수 확보에 큰 영향을 미치고 있다. 과거 가뭄을 해석하기 위해서는 일반적으로 강수량, 가뭄지수 등 단일지표를 활용하여 가뭄을 평가하였으나, 최근 선제적인 가뭄대응을 위해 다양한 인자들을 종합하여 판단하는 취약성 평가 (Vulnerability Assessment) 개념을 도입하였다. 농업가뭄 취약성은 IPCC (Intergovernmental Panel on Climate Change)에서 기상 및 수문학적 가뭄에 의한 작물 생산 피해 및 가축의 피해를 동반할 수 있는 가능성으로 정의한다. 본 연구에서는 농업용 저수지 중심의 농업용수 기반 취약성 평가 항목을 선정하여 농업가뭄 취약지도를 작성하였다. 민감도, 노출도 및 적응능력 개념에 적합한 대응변수를 활용하여 저수지의 저수율, 용수 부족 및 가뭄 대응능력 뿐만 아니라 사회·환경적, 기상학적 영향을 고려한 평가 항목 선정하였다. 항목별 단위 및 특성을 통합하기 위해 스케일 재조정 (Re-Scaling), Z-Score 등 다양한 방법을 활용하여 표준화를 실시하였으며, AHP (Analytic Hierarchy Process), 엔트로피 분석 등을 통해 항목별 가중치를 산정하였다. 또한 농업가뭄에 긍정적인 영향과 부정적인 영향을 미치는 항목을 구분하여 대응변수를 적용하였다. 이를 바탕으로 농업가뭄 취약성을 평가하여 항목별 등급을 구분하였으며, 전국 167개 시군을 대상으로 농업가뭄 취약지도를 작성하였다. 본 연구의 결과는 시군별 맞춤형 농업가뭄 대응정책의 기초자료 활용 가능하며, 농업가뭄 취약지역/상습가뭄지역에 대한 정보 제공이 가능할 것으로 판단된다.

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