• Title/Summary/Keyword: Optimized calculation

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Beckmann Rearrangements of 1-Indanone Oxime Derivatives Using Aluminum Chloride and Mechanistic Considerations

  • Lee, Byeong Se;Chu, So Yeong;Lee, In Yeong;Lee, Bon Su;Song, Jung Ui;Ji, Dae Yun
    • Bulletin of the Korean Chemical Society
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    • v.21 no.9
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    • pp.860-866
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    • 2000
  • Hydrocarbostyril, which is a key intermediate in our new synthetic route to 6-nitroquipazine, can be prepared from 1-indanone oxime by Beckmann rearrangement. We have optimized the reaction by using a Lewis acid, aluminum chloride,in the yield of 91% instead of common acids such as polyphosphoric acid,and sulfuric acid used in conventional Beckmann rearrangement (20% in the literature, 10% in our experiment).The optimized condition is established by usingthree equivalents of aluminum chloride in CH2Cl2 at -40 $^{\circ}C$ - room tempera-turefor 40 min. We have applied this condition to other 1-indanone derivatives, such as 4-methyl-, 4-methoxy-, 4-nitro and 6-nitro-1-indanones. The mechanism ofthis BR has been proposed on the basis of the effect of tem-perature and substituenton product ratio, with the aid of PM3 calculation for a model system.

Study of the Compressed and Expanded Liquid Rubidium with the Optimized Nonlocal Model Potential

  • 강홍석;박성호
    • Bulletin of the Korean Chemical Society
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    • v.20 no.11
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    • pp.1288-1294
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    • 1999
  • We show that Shaw's optimized nonlocal model potential (OMP) in combination with the perturbative hyper-netted-chain equation for pair correlation functions can be successfully applied to predict pair structures of compressed and expanded liquid rubidium. For compressed rubidium, it is possible to apply the OMP to a state for which the model radius is even close to the Wigner-Seitz radius. In addition, our results are parallel to those from Chihara and Kahl's quantal hypernetted-chain equation in that it supports the uniform compression model up to 6.1 GPa. Calculation also shows that the pair structure is relatively insensitive to the choice of the exchange-correlation function for the electron liquid. Discussions are also given for compressed and expanded cesium.

A Method of Tuning Optimization for PID Controller in Nuclear Power Plants (원자력발전소 PID 공정제어기에 대한 튜닝 최적화 방법)

  • Sung, Chan Ho;Min, Moon Gi
    • Transactions of the Korean Society of Pressure Vessels and Piping
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    • v.10 no.1
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    • pp.1-6
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    • 2014
  • PID(Proportional, Integral, Derivative) controller is one of the most used process controllers in nuclear power plants. The optimized parameter setting of process controller contributes to the stable operation and efficiency in the operating nuclear power plants. PID parameter setting is tuned when new process control system is established or process control system is changed. It is a burdensome work for I&C(Instrument and Control) engineers to tune the PID controller because it requires a lot of experience and knowledge. When the plant is in operation, inadequate PID parameter setting can be the cause of the unstable process of the plant. Therefore the results of PID parameter setting should be compared, simulated, verified and finally optimized. The practical PID tuning methods used in process controller are tuning operation calculation(Ziegler-Nicholes, Minimum TIAE, Lambda, IMC), exclusive tuning program based on computer and Matlab application. This paper introduces the various tuning methods and suggests an optimized PID tuning process in the operating nuclear power plants.

Development of models for evaluating the short-circuiting arc phenomena of gas metal arc welding (GMA 용접의 단락이행 아크 현상의 평가를 위한 모델 개발)

  • 김용재;이세헌;강문진
    • Proceedings of the Korean Society of Precision Engineering Conference
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    • 1997.10a
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    • pp.454-457
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    • 1997
  • The purpose of this study is to develop an optimal model, using existing models, that is able to estimate the amount of spatter utilizing artificial neural network in the short circuit transfer mode of gas metal arc (GMA) welding. The amount of spatter generated during welding can become a barometer which represents the process stability of metal transfer in GMA welding, and it depends on some factors which constitute a periodic waveforms of welding current and arc voltage in short circuit GMA welding. So, the 12 factors, which could express the characteristics for the waveforms, and the amount of spatter are used as input and output variables of the neural network, respectively. Two neural network models to estimate the amount of spatter are proposed: A neural network model, where arc extinction is not considered, and a combined neural network model where it is considered. In order to reduce the calculation time it take to produce an output, the input vector and hidden layers for each model are optimized using the correlation coefficients between each factor and the amount of spattcr. The est~mation performance of each optimized model to the amount of spatter IS assessed and compared to the est~mation performance of the model proposed by Kang. Also, through the evaluation for the estimation performance of each optimized model, it is shown that the combined neural network model can almost perfectly predict the amount of spatter.

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Optimization of CANFLEX-RU Fuel Bundle for CANDU-6

  • Lee, Y. O.;C. J. Jeong;K. S. Sim;J. S. Jun;Park, G. S.;Kim, B. G.;Park, J. H.;H. C. Suk
    • Proceedings of the Korean Nuclear Society Conference
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    • 1995.10a
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    • pp.35-40
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    • 1995
  • Considering the higher discharge burnup, lower channel refuelling rate, lower linear element rating(LER), lower coolant void reactivity and axial power shape, CANFLEX-RU fuel bundle is optimized for CANDU-6 by grading the fissile composition in the ring-wise of the bundle and by applying fuel management scheme appropriately. The fissile composition of the fuel bundle is graded as the recovered uranium (0.9 w/o U-235) in the outer and intermediate elements, depleted Uranium (0.2 w/o U-235) in the center element, natural uranium (0.71 w/o U-235) in the inner elements. Enrichment is not required for these fuel. The fissile composition is optimized by lattice calculation and by time-averaged reactor simulation. CANFLEX-RU optimized for CANDU-6 resulted to be the 15% lower channel refuelling rate, acceptable axial power profile and power envelope, 70% higher discharge burnup, 15% lower LER and not increase coolant void reactivity compared with the 37-element natural uranium bundle for CANDU-6.

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Numerical Analysis of Acoustic Characteristics in Gas Turbine Combustor with Spatial Non-homogeneity

  • Sohn, Chae-Hoon;Cho, Han-Chang
    • Journal of Mechanical Science and Technology
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    • v.18 no.8
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    • pp.1461-1469
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    • 2004
  • Acoustic characteristics in an industrial gas-turbine combustor are numerically investigated by a linear acoustic analysis. Spatially non-homogeneous temperature field in the combustor is considered in the numerical calculation and the characteristics are analyzed in view of acoustic instability. Acoustic analyses are conducted in the combustors without and with acoustic resonator, which is one of the acoustic-damping devices or combustion stabilization devices. It has been reported that severe pressure fluctuation frequently occurs in the adopted combustor, and the measured signal of pressure oscillation is compared with the acoustic-pressure response from the numerical calculation. The numerical results are in good agreement with the measurement data. In this regard. the phenomenon of pressure fluctuation in the combustor could be caused by acoustic instability. From the numerical results for the combustor with present acoustic resonators installed, the acoustic effects of the resonators are analyzed in the viewpoints of both the frequency tuning and the damping capacity. It is found that the resonators with present specifications are not optimized and thus, the improved specification or design is required.

A study on Fault Calculation and Coordination of Relays in Distribution System (배전계통의 고장계산 및 보호계전기 협조에 관한 연구)

  • Kim, Jun-Yoen;Nam, Hae-Kon;Kim, Tae-Seoung
    • Proceedings of the KIEE Conference
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    • 1993.11a
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    • pp.16-18
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    • 1993
  • Recently, the scale of distribution system is being enlarged by increasing power demand. When system fault occurs, fault currents and damage power facilities increase, so system stability decreases. Effective prevention of system from fault extention becomes influential as a subject in distribution system operation. In this study, exact settings of relays are obtained from program for fault calculation and coordination of relays in distribution system. In order to make smooth coordination between relays even when power system conditions vary, operation time and sensitivity of relays are optimized. As a result, reliability of distribution system is increased with rapid and exact operation of relays when fault occurs.

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The application of Large Eddy Simulation in designing the impellers of double-flow-conduits-sewage pump

  • Xue-y QI;Zai-lun Liu;chonl QI;Fan-zhon MENG
    • 한국전산유체공학회:학술대회논문집
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    • 2003.10a
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    • pp.200-202
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    • 2003
  • In this paper, Gauss filter function is used to filter the N-S equation and the subgrid-scale Reynold stresses model is introduced to deduce the practical form of LES equation for 2-D case for flow calculation of hydraulic machine. Then the LES equation and its discrete form in computational field are obtained in the body-fitted coordinate system and the numerical calculation program is built. The incompressible turbulent flow in double-flow-conduits-sewage pump impeller is computed by using the abovementioned program, and then the distribution rules of velocity and pressure in flow field are obtained. Based on this, the designs of double-flow-conduits-sewage pump impeller are optimized.

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Pulse Propagation Analysis of High Speed Transmission Lines using the Phenomenological Loss Equivalence Method (현상학적 도체 손실 등가 기법을 이용한 고속 전송선의 펄스 전송 특성 해석)

  • 홍정기;이해영;민형복
    • Journal of the Korean Institute of Telematics and Electronics A
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    • v.32A no.3
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    • pp.25-37
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    • 1995
  • The phenomenological loss equivalence method incorporated into the wideband lossy transmission line model is applied to the characterization of high desity digital transmission lines. The pulse propagation characteristics are analyzed using the calculated frequency characteristics and the discrete Fourier transformation. This approach has been verified by comparing the calculated frequency characteristics with the FEM and the esperimental results. This method is very suitable for computer-aided analysis of high density/high speed interconnection circuits because of the simple calculation as well as the calculation accuracy. We have found that pulse ftransmission speed and dispersion of hgih density digital transmission lines can be optimized by managing the conductor and dielectric losses in addition to the impedance matching.

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Ab Initio Calculated Structures and Vibrational Spectra of 1,3-Diethoxy-p-tert-butylcalix[4]crown-5-ether Complexed with Potassium Cation

  • Choe, Jong-In
    • Bulletin of the Korean Chemical Society
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    • v.28 no.2
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    • pp.235-240
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    • 2007
  • Molecular structures were optimized for the 1,3-diethoxycalix[4]crown-5-ether (2) in the various isomers and their potassium-ion complexes by using B3LYP/6-31+G(d,p)//B1LYP/6-31G(d,p) method after ab initio RHF/6-31G calculation. The cone-shaped isomer of 2 with cr-binding mode has shown the strongest binding efficiency among the six different complexes attributed to seven electrostatic interactions between the potassium cation and the oxygen atoms of crown-5-ether and ethoxy groups of the host (2). The vibrational spectra of 2 and its K+-complexes were obtained by restricted Hartree-Fock (RHF) calculations with the 6-31G basis set. The characteristic vibrational frequencies of various C-O-C stretching and bending motions are analyzed.