• Korean Chemical Engineering Research
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• v.48 no.1
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• pp.88-92
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• 2010

DNA structure studies attract many interests in pharmaceutical, biochemical and medical disciplines. Among them, base pairs play a vital role in biological information transfer. Therefore, they need to be analyzed in various ways and the pair of guaninine and cytosine is the present analytical object. Separation of guanine and cytosine was researched by Aspen chromatography simulator and HPLC(High Performance Liquid Chromatography) experiments. Aspen chromatography simulation resulted in various chromatograms with changes of sample concentration, eluent flow rate and number of plate. The resolutions and yields of guanine and cytosine were calculated to obtain a best separation condition. $C_{18}$ HPLC column and water/methanol/acetic acid mixture(90/10/0.2) were used for separation of guanine and cytosine. HPLC parameters(resolution and number of theoretical plate) were calculated under different flow rates and sample concentrations. Aspen chromatography simulation and HPLC experimental results were compared with fair agreement.

• KSBB Journal
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• v.21 no.3
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• pp.224-229
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• 2006

FEMLAB is a powerful interactive environment for modeling, solving all kinds of scientific and engineering problems based on partial differential equations(PDEs). Separation process of chiral compound in HPLC columns was simulated by FEMLAB. To study change of elution profile with isotherm models, non-competitive and competitive Langmuir adsorption isotherm were adopted. Separated material was (R, S)-ibuprofen [(R, S)-2-(4-isobutyl phenyl) propionic acid], an anti-inflammatory agent, which retain the pharmacological activity in the (S)-(+)-enantiomer. Sample concentrations were changed from 0.5 mg/ml to 2.0 mg/ml at a flow rate of 1 ml/min and flow rate varied from 1 ml/min to 3 ml/min at an ibuprofen concentration of 2.0 mg/ml and $20{\mu}l$ of injection volume. Simulated results were well fitted with experimental data.

• Korean Journal of Optics and Photonics
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• v.33 no.4
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• pp.167-176
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• 2022

Adaptive optics (AO) systems compensate for atmospheric disturbance, especially phase distortion, by introducing counter-wavefront deformation calculated from real-time wavefront sensing or prediction. Because AO system implementations are time-consuming and costly, it is highly desirable to estimate the system's performance during the development of the AO system or its parts. Among several techniques, we mostly apply statistical analysis, computational simulation, and optical-bench tests. Statistical analysis estimates performance based on the sum of performance variances due to all design parameters, but ignores any correlation between them. Computational simulation models every part of an adaptive optics system, including atmospheric disturbance and a closed loop between wavefront sensor and deformable mirror, as close as possible to reality, but there are still some differences between simulation models and reality. The optical-bench test implements an almost identical AO system on an optical bench, to confirm the predictions of the previous methods. We are currently developing an AO system for a 1.6-m ground telescope using a deformable mirror that was recently developed in South Korea. This paper reports the results of the statistical analysis and computer simulation for the system's design and confirmation. For the analysis, we apply the Strehl ratio as the performance criterion, and the median seeing conditions at the Bohyun observatory in Korea. The statistical analysis predicts a Strehl ratio of 0.31. The simulation method similarly reports a slightly larger value of 0.32. During the study, the simulation method exhibits run-to-run variation due to the random nature of atmospheric disturbance, which converges when the simulation time is longer than 0.9 seconds, i.e., approximately 240 times the critical time constant of the applied atmospheric disturbance.

• Journal of the Korean Electrochemical Society
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• v.7 no.2
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• pp.69-79
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• 2004

To correctly simulate performance characteristics of fuel cells with a modeling method, various physical and chemical phenomena must be considered in fuel cells. In this study, performance characteristics of planar solid oxide fuel cells were simulated by a commercial CFD code, CFD-ACE+. Through simultaneous considerations for mass transfer, heat transfer and charge movement according to electrochemical reactions in the 3-dimensional planar SOFC unit stack, we could successfully predict performance characteristics of solid oxide fuel cells under operation for structural and progress variables. In other words, we solved mass fraction distribution of reactants and products for diffusion and movement, and investigated qualitative and quantitative analysis for performance characteristics in the SOFC unit stack through internal temperature distribution and polarization curve for electrical characteristics. Through this study, we could effectively predict performance characteristics with variables in the unit stack of planar SOFCs and present systematic approach for SOFCs under operation by computer simulation.

• Progress in Medical Physics
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• v.23 no.2
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• pp.81-90
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• 2012

The effect of setup uncertainties on CTV dose and the correlation between setup uncertainties and setup margin were evaluated by Monte Carlo based numerical simulation. Patient specific information of IMRT treatment plan for rectal cancer designed on the VARIAN Eclipse planning system was utilized for the Monte Carlo simulation program including the planned dose distribution and tumor volume information of a rectal cancer patient. The simulation program was developed for the purpose of the study on Linux environment using open source packages, GNU C++ and ROOT data analysis framework. All misalignments of patient setup were assumed to follow the central limit theorem. Thus systematic and random errors were generated according to the gaussian statistics with a given standard deviation as simulation input parameter. After the setup error simulations, the change of dose in CTV volume was analyzed with the simulation result. In order to verify the conventional margin recipe, the correlation between setup error and setup margin was compared with the margin formula developed on three dimensional conformal radiation therapy. The simulation was performed total 2,000 times for each simulation input of systematic and random errors independently. The size of standard deviation for generating patient setup errors was changed from 1 mm to 10 mm with 1 mm step. In case for the systematic error the minimum dose on CTV $D_{min}^{stat{\cdot}}$ was decreased from 100.4 to 72.50% and the mean dose $\bar{D}_{syst{\cdot}}$ was decreased from 100.45% to 97.88%. However the standard deviation of dose distribution in CTV volume was increased from 0.02% to 3.33%. The effect of random error gave the same result of a reduction of mean and minimum dose to CTV volume. It was found that the minimum dose on CTV volume $D_{min}^{rand{\cdot}}$ was reduced from 100.45% to 94.80% and the mean dose to CTV $\bar{D}_{rand{\cdot}}$ was decreased from 100.46% to 97.87%. Like systematic error, the standard deviation of CTV dose ${\Delta}D_{rand}$ was increased from 0.01% to 0.63%. After calculating a size of margin for each systematic and random error the "population ratio" was introduced and applied to verify margin recipe. It was found that the conventional margin formula satisfy margin object on IMRT treatment for rectal cancer. It is considered that the developed Monte-carlo based simulation program might be useful to study for patient setup error and dose coverage in CTV volume due to variations of margin size and setup error.

• Proceedings of the Optical Society of Korea Conference
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• 2000.02a
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• pp.200-201
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• 2000

보상광학(Adaptive Optics)은 막 흐르는 대기 또는 매개체에 의한 왜곡을 제거 또는 보상하는 시스템이다$^{(1)}$ . 그 시스템의 구성요소 중 파동앞엣선 측정장치(Wavefront Sensor)는 그러한 왜곡을 측정하는 센서로, Shearing interferometer, Shack-Hartman, Curvature wavefront sensor등이 널리 사용되어 왔으며, Pugh$^{(2)}$ 와 Ragazzoni$^{(3)}$ 가 프라미드형의 프리즘을 이용한 동공면 파면 측정을 새로이 제시했다. 본 연구에서는 동공면 파면 측정을 전산모사하여, 제니케 다항식에 대한 센서의 결과를 얻고, 분석하였다. (중략)

• Journal of Korean Society of Transportation
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• v.20 no.5
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• pp.99-111
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• 2002

전산기술의 발달에 힘입어 근래에 모의실험을 이용한 연속교통류의 미시적 분석이 활발히 수행되고 있고 다양한 모의실험 전산모형이 소개되고 있다. 미시적 연속교통류 전산모의실험은 차량추종모형과 차로변경모형을 적용하여 다양한 운전자들의 차량운행행태를 모사하여 분석하는 실험이다. 전산모형은 난수를 토대로 차량의 자유속도와 초기 발생 차로를 배정하기 때문에 낮은 자유속도를 할당받은 차량이 높은 속도의 차로(예:1차로)로 발생되는 경우가 발생한다. 많은 모의실험모형이 사용하고 있는 차로변경의 가정이 "운전자는 자신이 원하는 속도(자유속도)를 유지한다"는 것이며 그러한 가정만의 적용으로 인해 현실적이지 않은 차로 이용률이 결과되고, 따라서 전산모형을 통한 교통류 흐름분석에 문제를 제공하고 있다. 본 논문에서는 미국 도로국에서 20여년 동안 개발되고 수정되어왔으며 현재 실용적으로 가장 많이 사용되고 있는 Freeway Simulation(FRESIM) 전산모형이 내재한 차로변경모형을 토대로 고속도로 기본구간에서의 선택적 차로변경모형을 제시한다. 제시된 모형에서는 (1)저속의 선행차량이 고속의 후행차량에게 차로를 양보하는 가정이 새롭게 추가되고 (2)FRESIM모형에서 사용하는 상수값을 국내 현장조사를 통하여 도출된 분포식을 통한 값으로 대체하였다. 수집된 자료분석결과 연속 교통류에서의 15% 차두시간은 1.34초이며 차로변경시간은 평균 2.22초인 F분포를 따르고, 자유속도는 정규분포를 따르는 것으로 결과되었다. 모의실험결과 무작위난수를 토대로 배정된 차로로 생성된 차량들이 새롭게 제시된 차로변경모형의 적용으로 현장 차로이용률을 95% 신뢰수준에서 모사하는 것으로 분석되었다.

• Proceedings of the Korean Nuclear Society Conference
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• 1998.05a
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• pp.789-794
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• 1998

중대사고 해석 전산 코드 국산화의 필요성이 대두되고 있는 이때 우리가 개발해야 할 코드의 요건을 다음 여섯 가지로 정리하였다: 1) 종합적인 해석 코드. 2) 1차계통과 격납건물 모사 능력의 유연성, 3) 자세한 발전소 거동 모사, 4) 사용자 편의성, 5) 개선 및 새로운 모델 접목의 용이성. 그리소 6) 최신 모델 포함. 이런 관점에서 기존의 중대사고 해석코드를 분석한 결과 코드 개발의 기준 코드로 MELCOR를 선정하였다. MELCOR는 계통 모사의 유연성 때문에 상용 발전소 뿐만 아니라 앞으로 개발 계획 중인 차세대나 중소형 원자로까지도 확장이 가능하며, 상세한 열수력 기본 지배 방정식을 활용하고. 모델 분석 및 개선에 필요한 코드에의 자유로운 접근이 허용되며, 지속적인 코드 개선이 이루어져 최신 모델을 보유하고 있다. 이미 MELCOR는 상당한 수준의 결과를 예측하고 있기만. 노심 손상 모델을 개선하고 격납건물 안에서의 주요 현상 모사 모델을 추가하며. 또한 국내에서 이루어지고 있는 SONATA 실험이나 증기 폭발 실험 결과들을 MELCOR에 반영하는 것이 가급적 짧은 시간에 기술 자립을 이를 수 있는 방법으로 판단된다.

• Proceedings of the Computational Structural Engineering Institute Conference
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• 2010.04a
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• pp.558-561
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• 2010

본 연구에서는 나노복합재의 탄소성 거동과 항복응력을 예측하기 위해 분자동역학 전산모사를 수행하였다. 나일론 기지와 실리카 나노입자가 포함된 단위 셀 구조로부터 나노입자의 체적분율 변화에 따른 응력-변형률 선도를 등변형률을 적용한 등온등압 앙상블 전산모사로부터 도출하였다. 4%의 변형률 범위에서 나노복합재의 탄성계수를 도출하였고, 이를 이용하여 2% 오프셋 방법으로 항복응력을 예측하였다. 나노입자의 유무에 따른 항복평면의 변화와 고분자 재료에서 나타나는 정수압 효과가 항복평면에 미치는 영향을 확인하기 위해 일축 인장/압축 그리고 이축 인장/압축을 수행하였고, 각각의 경우에 나타나는 나노복합재 내부의 자유체적 변화에 대한 분석을 통해 나노입자의 강화효과를 고찰하였다. 또한 고분자 기지로 인해 발생하는 정수압 효과를 반영한 von-Miss 항복평면을 도출하고, 입자의 체적분율 변화에 따른 항복응력의 예측이 가능하도록 정수압효과에 대한 파라메터를 체적분율의 함수로 근사하였다.

• Journal of the Korean Society of Radiology
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• v.9 no.2
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• pp.73-77
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• 2015

In order to observe the detailed structure of the detector, it was CT scanned to reproduce the detailed structure of the crystal shapes and traverse layer using the Monte Carlo calculation applying the detector model. The uncertainty of measurement was lowered by adjusting the detector core by the edge effect at a higher energy (400 keV or higher) through the offset of peak efficiency of the gamma ray at low energy. It was confirmed that there was the appropriate matching with spatial dependency using the PENELOPE calculation. That was achieved by adjusting the parameters describing the crystal core and rounding of edge and crystal core.