• Title/Summary/Keyword: 평형 계산

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Retention Behavior of Lanthanide Complexes with $\alpha$ -hydroxyisobutyric Acid on Cation Exchanger (양이온 교환체에서 희토류원소와 $\alpha$-Hydroxyisobutyric Acid 착물들의 머무름 거동에 관한 연구)

  • Jo, Gi Su;Han, Seon Ho;Seo, Mu Yeol;Eom, Tae Yun;Kim, Yeon Du
    • Journal of the Korean Chemical Society
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    • v.34 no.6
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    • pp.582-592
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    • 1990
  • Retention behavior of lanthanide-$\alpha$HiBA complexes was studied on the cation exchanger (LC-18 coated with $C_{20}H_{41}SO_4^-$). An equation predicting retention of lanthanides in isocratic or gradient elution with sodium ion and $\alpha$-HiBA concentration was derived from ion exchange equilibria of metal-ligand complex system, respectively. The relations between log k' and log [Na$^+$] /log [$\alpha$-HiBA) showed non-linearity in isocratic elution. In gradient elution a good linearity between log k' vs log R was obtained. The values of slopes (log k / log R) gave good agreements between calculation and experiment. Individual capacity factors ($k'_{Ln}^{3+}, k'_{LnL}^{2+}, k'{LnL2+}) and stability constant (${\beta}_1$, ${\beta}_2$, ${\beta}_3$) of lanthanide-$\alpha$HiBA complexes were calculated by the non-linear least square fittings using the retention equation. The correlation coefficients of lanthanides were shown better than 0.9996 between experiment and calculation.

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A Bifurcation Analysis of Space Structures by Using 3D Beam-Column Element Considering Finite Deformations and Bowing Effect (유한변형과 굽힘효과가 고려된 3차원 보-기둥요소에 의한 공간구조물의 분기좌굴해석)

  • Lee, Kyung-Soo;Han, Sang-Eul
    • Journal of the Computational Structural Engineering Institute of Korea
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    • v.22 no.4
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    • pp.307-314
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    • 2009
  • The present paper briefly describes the space frame element and the fundamental strategies in computational elastic bifurcation theory of geometrically nonlinear, single load parameter conservative elastic spatial structures. A method for large deformation(rotation) analysis of space frame is based on an eulerian formulation, which takes into consideration the effects of large joint translations and rotations with finite deformation(rotation). The local member force-deformation relationships are based on the beam-column approach, and the change in member chord lengths caused by axial strain and flexural bowing are taken into account. and the derived geometric stiffness matrix is unsymmetric because of the fact that finite rotations are not commutative under addition. To detect the singular point such as bifurcation point, an iterative pin-pointing algorithm is proposed. And the path switching mode for bifurcation path is based on the non-negative eigen-value and it's corresponding eigen-vector. Some numerical examples for bifurcation analysis are carried out for a plane frame, plane circular arch and space dome structures are described.

Vorticity Based Analysis of the Viscous Flow around an Impulsively Started Cylinder (와도를 기저로 한 초기 순간 출발하는 실린더 주위의 점성유동해석)

  • Kwang-Soo Kim;Jung-Chun Suh
    • Journal of the Society of Naval Architects of Korea
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    • v.35 no.4
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    • pp.1-10
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    • 1998
  • This paper presents a vorticity-based numerical method for analyzing an incompressible Newtonian viscous flow around an impulsively started cylinder. The Navier-Stockes equations have a natural Helmholtz decomposition. The vorticity transport equation and the pressure equation are derived from this decoupled form. The associated boundary conditions are dynamic for the vorticity and pressure variables representing the coupling relation between them and the force balance on the wall. The various numerical treatments for solving the governing equations are introduced. According to Wu et al.(1994), the boundary conditions are decoupled, keeping the dynamic relation between vorticity and pressure. The vorticity transport equation is formulated by FVM and TVD(Total Variation Diminishing) scheme is used for the convection term. An integral approach similar to the panel method is used to obtain the velocity field for a given vorticity field and the pressure field, instead of the conventional differential approaches. In the numerical process, the structured grid is generated. The results are compared to existing numerical and analytic results for the validity of the present method.

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Ab Initio Studies on Hydrogen-Bonded Dimers of Fluoromethanes with Ammonia and Water (플루오르화메탄들과 암모니아 및 물과의 수소결합 이량체들에 관한 Ab Initio 연구)

  • Soon-Ki Lee;Seung-Hoon Kim
    • Journal of the Korean Chemical Society
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    • v.37 no.4
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    • pp.408-415
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    • 1993
  • Systematic ab initio SCF calculations have been performed on the hydrogen-bonded dimers of fluoromethanes involving $CH_4,\;CH_3F,\;CH_2F_2\;and\;CHF_3$ with ammonia and water applying basis sets of 9s5p/5s and 9s5p1d/5p1d. Various ground state properties of these stable dimeric complexes have been evaluated. We compared these with corresponding properties of isolated monomers. We report equilibrium geometries, stabilization energies, dipole moments and force constants of intermolecular bonds. The effects arising as a consequence of the non-additive behavior of hydrogen bonding in chain-like oligomers are discussed. Systematic, methodical errors due to the use of the SCF approximation and the basis set dependence of the computed results are pointed out.

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Development of Gas Turbine Engine Simulation Program Based on CFD (CFD 기반 가스터빈 엔진 모사 코드 개발)

  • Jin, Sang-Wook;Kim, Kui-Soon;Choi, Jeong-Yeol;Ahn, Iee-Ki;Yang, Soo-Seok;Kim, Jae-Hwan
    • Journal of the Korean Society of Propulsion Engineers
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    • v.13 no.2
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    • pp.42-53
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    • 2009
  • Gas turbine engine simulation program has been developed. In compressor and turbine, 2-D NS implicit code is used with k-$\omega$ SST turbulent model. In combustor, 0-D lumped method chemical equilibrium code is adopted under the limitations, the products are only 10 species of molecular and air-fuel is perfectly mixed state with 100% combustion efficiency at constant pressure. Fluid properties are shared on interfaces between engine components. The outlet conditions of compressor have been used as the inlet condition of combustor. The inlet condition of turbine comes from the compressor The back pressure in compressor outlet is transferred by the inlet pressure of turbine. Unsteady phenomena at rotor-stator in compressor and turbine is covered by mixing-plane method. The state of engine can be determined only by given inlet condition of compressor, outlet condition of turbine, equivalence ratio and rotating speed.

Enhanced Recovery of Gravity Fields from Dense Altimeter Data

  • Kim, Jeong-Hee
    • Journal of the Korean Society of Surveying, Geodesy, Photogrammetry and Cartography
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    • v.14 no.2
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    • pp.127-139
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    • 1996
  • This paper presents a procedure to recover sea surface heights (SSH) and free-air (FA) gravity anomalies from dense satellite altimeter SSH data with enhanced accuracies over the full spectrum of the gravity field. A wavenumber correlation filtering (WCF) of co-linear SSH tracks is developed for the coherent signals of sub-surface geological masses. Orbital cross-over adjustments with bias parameters are applied to the filtered SSH data, which are then separated into two groups of ascending and descending tracks and gridded with tensioned splines. A directional sensitive filter (DSF) is developed to reduce residual errors in the orbital adjustments that appear as track patterned SSH. Finally, FA gravity anomalies can be obtained by the application of a gradient filter on a high resolution estimate of geoid undulations after subtracting dynamic sea surface topography (DSST) from the SSH. These procedures are applied to the Geosat Geodetic Mission (GM) data of the southern oceans in a test area of ca. $900km\;\times{1,200}\;km$ to resolve geoid undulations and FA gravity anomalies to wavelengths of-10 km and larger. Comparisons with gravity data from ship surveys, predictions by least squares collocation (LSC), and 2 versions of NOAA's predictions using vertical deflections illustrate the performance of this procedure for recovering all elements of the gravity spectrum. Statistics on differences between precise ship data and predicted FA gravity anomalies show a mean of 0.1 mgal, an RMS of 3.5 mgal, maximum differences of 10. 2 mgal and -18.6 mgal, and a correlation coefficient of 0.993 over four straight ship tracks of ca. 1,600 km where gravity changes over 150 mgals.

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Development of a Simulation Program for the Li-Reduction Process of PWR Spent Fuel (PWR 사용후핵연료의 Li 환원과정 모사 프로그램 개발)

  • Lee, Yun-Hee;Shin, Hee-Sung;Jang, Ji-Woon;Kim, Ho-Dong;Yoon, Ji-Sup
    • Journal of Nuclear Fuel Cycle and Waste Technology(JNFCWT)
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    • v.4 no.4
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    • pp.335-344
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    • 2006
  • In this paper a computer program was developed, which simulates the Li reduction process of PWR spent fuel, and the amount of a produced metal or chloride compound was calculated at the various amount of Li with the program. It establishes a database, which is composed of some characteristics related to a chemical reaction equation and thermodynamic data, and it calculates the transformed rate of PWR spent fuel oxide at the certain amount of Li by using the database as input data. As the results of the performance test of the program, it was validated that the transformed values of oxides, except for $Eu_2O_3$ and $Sm_2O_3$, were almost the same to within about a 6 % error with those calculated by the previous code and that the calculated amount of Li was also exactly consistent with the theoretical one, which is used for a complete reaction of each oxide in a single chemical reaction. A relationship between Li and the transformed metal of each oxide was analyzed on the basis of the quantities calculated with the verified development program. Of the results, when the amount of Li was given to be 250 mole, the 83.73 percentage of $UO_2$ was transformed into U while the remainder was still to be $UO_2$. In addition, it was appeared that the 297 mole of Li was needed to completely convert $UO_2$ into U.

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Robust Diagnostic World Ocean Circulation with Half-Degree Resolution (1/2$^{\circ}$해상도의 진단적 전구 해수순환모형 연구)

  • 최병호;웨이체첸;팡구오홍;최영진
    • Journal of Korean Society of Coastal and Ocean Engineers
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    • v.13 no.1
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    • pp.80-87
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    • 2001
  • Global robust diagnostic models are established based on MOM of GFDL to study the circulation in the world ocean. The horizontal grid sizes 1/2 degree, and the vertical water column is divided into 21 levels. The hydrographic data are taken from Levitus et al.(1994) and the wind stress from Hellerman and Rosenstein (1983). Based on the model results the horizontal volume, heat and salt transports across some representative sections are calculated. The preliminary results show that Though the cross-equator volume transports in the Atlantic, Indian and Pacific Oceans are all small, the heat transports across equator in the Atlantic are northward. This is clearly a result of the southward flow of the North Atlantic Deep Water and the northward compensating warm flow in the upper layer. The annual mean of the cross-equator heat transport in the Pacific Ocean from the present model is significantly lower than that calculated by Philander et at. (1987). This might indicate the importance of the Indonesian Throughflow in the heat transport in the Pacific Ocean. Our calculation shows that the heat transport through the Indonesian Archipelago is 0.5 PW, which is comparable with the poleward heat transport in the North Atlantic and Pacific Oceans. The difference in heat transports across the sections 5 and 6 demonstrates the important role of the Agulhas Current in the heat balance of the world ocean.

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Spin-orbit Coupling Effect on the Structural Optimization: Bismuth Telluride in First-principles (스핀-궤도 각운동량 상호작용의 구조 최적화에 대한 효과: 비스무스 텔루라이드의 제일원리 계산의 경우)

  • Tran, Van Quang;Kim, Miyoung
    • Journal of the Korean Magnetics Society
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    • v.23 no.1
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    • pp.1-6
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    • 2013
  • Spin-orbit coupling (SOC) effect is known to be the physical origin for various exotic magnetic phenomena in the low-dimensional systems. Recently, SOC also draws lots of attention in the study on magnetically doped thermoelectric alloys to determine their properties as the thermoelectric application as well as the topological insulator via the exact electronic structures determination near the Fermi level. In this research, aiming to investigate the spin-orbit coupling effect on the structural properties such as the lattice constants and the bulk modulus of the most widely investigated thermoelectric host material, $Bi_2Te_3$, we carried out the first-principles electronic structure calculation using the all-electron FLAPW (full-potential linearized augmented plane-wave) method. Employing both the local density approximation (LDA) and the generalized gradient approximation (GGA), the structural optimization is achieved by varying the in-plane lattice constant fixing the perpendicular lattice constant and vice versa, to find that the SOC effect increases the equilibrium lattices slightly in both directions while it markedly reduces the bulk modulus value implying the strong orientational dependence, which are attributed to the material's intrinsic structural anisotropy.

Numerical Simulation of Wave Transformation considering the Storm Surge Height at the Nakdong Estuary (해일고를 고려한 낙동강 하구역의 파랑변형 수치모의)

  • YOO CHANG-ILL;YOON HAN-SAM;RYU CHEONG-ROO;KIM DO-SAM
    • Proceedings of the Korea Committee for Ocean Resources and Engineering Conference
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    • 2004.05a
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    • pp.298-302
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    • 2004
  • 본 연구에서는 낙동강 하구역 해역에서의 폭풍 해일의 특성 및 이를 고려한 외해 압사파랑특성을 고찰하고 연안사주 전면의 입사파랑과 퇴적 특성과의 상호 관계를 고찰하였으며 천해역의 파랑변형을 예측할 수 있는 다방향 불규칙파 묘형을 구성하고 폭풍 해일고를 수심조건에 고려함으로써 하구역 해역에서의 파랑 변형계산을 2차원 평면수치모의실험을 수행하였다. 낙동강 하구역에서 서측에 위치하는 진우도 전면해역이 무명도 전면해역보다 약 1.0배에서 2.0배 크게 파고분포를 나타내었다. 이는 입사하는 파랑의 공간 분포가 사주전면에서 공간적으로 차이가 남을 나타내는 것으로 사주의 퇴적작용에 영향을 줄 것이라고 판단된다.

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