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RNA의 이차 구조 요소 및 삼차 구조 요소를 추출하기 위한 PDB 구조 데이터 마이닝
임대호(Daeho Lim),한경숙(Kyungsook Han) 한국정보과학회 2003 한국정보과학회 학술발표논문집 Vol.30 No.2Ⅱ
이제까지 Protein이나 RNA와 같은 분자의 구조는, 대부분 X-ray crystallography나 Nuclear Magnetic Resonance (NMR) 방법을 통해 분석이 이루어 졌다. 이 방법들은 실제 분자를 직접 원자레벨에서 분석하는 방법으로, 분자를 구성하는 모든 원자의 3차원 좌표 정보를 얻어 낼 수 있다. 원자의 3차원 좌표 정보는 분자의 전체적인 모양과 구조를 이해하는데 유용한 정보이다. 하지만, 분자의 구조를 좀 더 완벽히 이해하기 위해서는 원자 레벨의 좌표 정보 보다는 좀 더 높은 차원에서의 구조 정보가 필요하다. 특히 분자의 구조를 예측하거나, 분자들 사이에 결합 관계를 예측하기 위해서는, 원자 레벨의 정보만으로는 필요한 모든 정보를 얻을 수 없다. 이러한 경우, 분자의 2차원 또는 3차원 구조 요소 (structural elements)가 더욱 좋은 정보를 제공해 줄 수 있다. Protein 분자의 경우, 이미 3차원 좌표 정보를 이용해서, 2차원 구조 요소를 알아내는 자동화된 방법이 알려져 있다. 그러나 RNA의 경우 protein에 비해 알려진 결정 구조가 적기 때문에, 아직까지 2차원 구조 요소나 3차원 구조 요소를 알아내는 자동화된 방법이 알려져 있지 않다. 따라서, 이제까지는 RNA의 구조 요소를 알아내기 위해, 사람이 직접 RNA분자의 3차원 좌표 정보를 분석함으로써 많은 시간과 노력이 필요했다. 이 때문에, 우리는 RNA의 원자들의 3차원 좌표 정보를 이용해서, 2차원 구조 요소와 3차원 구조 요소 정보를 자동화된 방법으로 밝혀내는 알고리즘을 개발하였다. 우리는 분자를 구성하고 있는 원자들의 3차원 좌표 정보를 Protein data bank (PDB)에서 가져왔다. 우리의 알고리즘은 PDB file형태의 데이터라면 protein-RNA 복합체나 RNA 분자 모두에서 RNA의 2차원 구조 요소나 3차원 구조 요소를 얻어낼 수 있다. 우리의 연구는 RNA의 원자레벨의 3차원 좌표 정보를 이용해서 RNA의 구조 요소를 뽑아내는 첫 번째 시도로, 우리의 알고리즘을 통해 얻어진 구조 정보는 RNA의 구조 예측 연구나, protein-RNA complex의 결합 예측 연구에 많은 도움을 줄 수 있으리라 기대된다.
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파일럿규모 슬러리 기포탑에서 기포체류량의 축방향, 반경방향 분포
임대호 ( Dae Ho Lim ),장지화 ( Ji Hwa Jang ),강용 ( Yong Kang ),전기원 ( Ki Won Jun ) 한국화학공학회 2011 Korean Chemical Engineering Research(HWAHAK KONGHA Vol.49 No.2
Axial and radial distributions of bubble holdup were investigated in a slurry bubble column with pilot plant scale(D=1.0 m). Effects of gas velocity, surface tension of continuous liquid medium and solid fraction in the slurry phase on the axial and radial distributions of bubble holdup were examined. The bubble holdup decreased with increasing radial dimensionless distance from the center of the column, while it increased with increasing dimensionless distance in the axial direction from the distributor, in all the cases studied. The radial non-uniformity of bubble holdup increased with increasing gas velocity but decreasing surface tension of liquid medium, while it was not dependent upon the solid fraction in the slurry phase. The axial non-uniformity of bubble holdup increased with increasing gas velocity, but it does not change considerably with variations of liquid surface tension or solid fraction in the slurry phase. The axial and radial distributions of bubble holdup were well correlated in terms of operating variables within this experimental conditions.
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점성액체 기포탑에서 탑의 직경이 기포, wake 및 연속액상 체류량에 미치는 영향
임대호 ( Dae Ho Lim ),장지화 ( Ji Hwa Jang ),강용 ( Yong Kang ),전기원 ( Ki Won Jun ) 한국화학공학회 2011 Korean Chemical Engineering Research(HWAHAK KONGHA Vol.49 No.5
Holdup characteristics of bubble, wake and continuous liquid phases were investigated in bubble columns with viscous liquid media. Effects of column diameter(0.051, 0.076, 0.102 and 0.152 m ID), gas velocity(U(G)=0.02~0.16 m/s) and liquid viscosity(μL=0.001~0.050 Pa·s) of continuous liquid media on the holdups of bubble, wake and continuous liquid phases were discussed. The three phase such as bubble, wake and continuous liquid phases were classified successfully by adapting the dual electrical resistivity probe method. Compressed filtered air and water or aqueous solutions of CMC(Carboxy Methyl Cellulose) were used as a gas and a liquid phase, respectively. To detect the wake as well as bubble phases in the bubble column continuously, a data acquisition system(DT 2805 Lab Card) with personal computer was used. The analog signals obtained from the probe circuit were processed to produce the digital data, from which the wake phase was detected behind the multi-bubbles as well as single bubbles rising in the bubble columns. The holdup of bubble and wake phases decreased but that of continuous liquid media increased, with an increase in the column diameter or liquid viscosity. However, the holdup of bubble and wake phases increased but that of continuous media decreased with an increase in the gas velocity. The holdup ratio of wake to wake to bubble phase decreased with an increase in the column diameter or gas velocity, however, increased with an increase in the viscosity of continuous liquid media. The holdups of bubble, wake and continuous liquid media could be correlated in terms of operating variables within this experimental conditions as: εB=0.043D(-0.18)U(G)(0.56)μL(-0.13), εW=0.003D(-0.85)U(G)(0.46)μL(-0.10), εC=1.179D(0.09)U(G)(-0.13)μL(0.04).
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임대호 ( Dae Ho Lim ),장지화 ( Ji Hwa Jang ),강용 ( Yong Kang ),전기원 ( Ki Won Jun ) 한국화학공학회 2011 Korean Chemical Engineering Research(HWAHAK KONGHA Vol.49 No.5
Characteristics of bubble driven wakes were investigated in a simulated GTL process(0.102 m x 1.5 m in height) with viscous liquid medium. Effects of gas velocity(0.04~0.12 m/s) and liquid viscosity(0.001~0.050 Pa·s) on the wake characteristics such as rising velocity, frequency, size and holdup were determined by employing a resistivity probe method. The wake phase formed behind the rising multi-bubbles as well as single bubbles were detected effectively from the conductivity fluctuations measured by the probe. Compressed, filtered and regulated air and aqueous solutions of Carboxy Methyl Cellulose(CMC) were used as a dispersed gas phase and a continuous liquid medium, respectively. It was found that the rising velocity and size of wake phase increased with an increase in gas velocity or liquid viscosity. The holdup and frequency of wake phase increased with increasing gas velocity due to the increase of gas input into the process with increasing gas velocity. However, We values of holdup and frequency of wake phase decreased with increasing liquid viscosity, since the size of bubbles and thus that of wakes increased with increasing liquid viscosity. The ratio of wake holdup to that of gas phase, which was in the range of 0.25~0.48, increased with an increase in liquid viscosity but decreased with gas velocity. The wake characteristics were well correlated in terms of operating variables within this experimental conditions.
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임호 ( Ho Lim ),임현오 ( Hyun Oh Lim ),진해룡 ( Hae Ryoung Jin ),임대호 ( Dae Ho Lim ),강용 ( Yong Kang ) 한국화학공학회 2011 Korean Chemical Engineering Research(HWAHAK KONGHA Vol.49 No.6
삼상유동층에서 수력학적 유사성을 규모인자(scaling factor)를 이용하여 해석하였다. 규모인자는 직경이 다른 두 종류의 삼상유동층간의 기체, 액체, 그리고 고체입자의 체류량과 단위면적당 유효부피흐름속도를 기준으로 정의하였다. 두 종류 삼상유동층의 직경은 각각 0.102 m와 0.152 m이었다. 여과된 압축공기, 물 그리고 밀도가 2,500 kg/m3인 유리구슬을 각각 기체, 액체 그리고 유동고체입자로 사용하였다. 각 삼상유동층에서 각 상들의 체류량은 정압강하법에의해 결정하였다. 기체 및 액체의 유속 그리고 고체유동입자의 크기가 각 상들을 기준으로한 규모인자와 유효부피흐름 속도를 기준으로한 규모인자에 미치는 영향을 검토하였다. 직경이 다른 두 삼상유동층에서 기체 체류량의 편차는 기체와 액체의 유속이 증가함에 따라 감소하였으나 유동입자의 크기가 증가함에 따라 증가하였다. 직경이 다른 두 종류 삼상유동층에서 액체 체류량 편차는 기체와 액체 그리고 고체유동입자의 크기가 증가함에 따라 감소하였다. 두 종류 삼상유동층에서 고체입자 체류량 편차는 기체유속과 유동입자의 크기가 증가함에 따라 증가하였으나 액체의 유속이 증가함에 따라 감소하였다. 직경이 다른 두 종류 삼상유동층에서 유효부피흐름속도를 매개로 한 규모인자는 기체유속과 유동입자의 크기가 증가함에 따라 감소하였으나 액체의 유속이 증가함에 따라 증가하였다. 본 연구에서 정의된 규모인자는 삼상유동층 공정의 수력학적 유사성을 해석하는데 효과적으로 사용될 수 있었다. Hydrodynamic similarity was analyzed by employing scaling factor in three phase fluidized beds. The scaling factor was defined based on the holdups of gas, liquid and solid particles and effectivity volumetric flux of fluids between the two kinds of fluidized beds with different column diameter. The column diameter of one was 0.102 m and that of the other was 0.152 m. Filtered compressed air, tap water and glass bead of which density was 2,500 kg/m3 were used as gas, liquid and solid phases, respectively. The individual phase holdups in three phase fluidized beds were determined by means of static pressure drop method. Effects of gas and liquid velocities and particle size on the scaling factors based on the holdups of each phase and effective volumetric flux of fluids were examined. The deviation of gas holdup between the two kinds of three phase fluidized beds decreased with increasing gas or liquid velocity but increased with increasing fluidized particle size. The deviation of liquid holdup between the two fluidized beds decreased with increasing gas or liquid velocity or size of fluidized solid particles. The deviation of solid holdup between the two fluidized beds increased with increasing gas velocity or particle size, however, decreased with increasing liquid velocity. The deviation of effective volumetric flux of fluids between the two fluidized beds decreased with increasing gas velocity or particle size, but increased with increasing liquid velocity. The scaling factor, which was defined in this study, could be effectively used to analyze the hydrodynamic similarity in three phase fluidized processes.
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보문: 미립지공학·유동층·기후변화대응기술·연료전환기술 ; 삼상슬러리 기포탑에서 액상의 표면장력이 열전달 계수에 미치는 영향
임호 ( Ho Lim ),임대호 ( Dae Ho Lim ),진해룡 ( Hae Ryong Jin ),강용 ( Yong Kang ),정헌 ( Heon Jung ) 한국화학공학회 2012 Korean Chemical Engineering Research(HWAHAK KONGHA Vol.50 No.3
산업현장에서 자주 접하는 액상의 물성인 표면장력이 상대적으로 작은 액상으로 구성된 삼상슬러리 기포탑에서 총 괄 열전달 특성을 고찰하였다. 기포탑 내부의 열전달 현상은 기포탑 내부의 수직 열원과 기포탑 간의 열전달계를 구성 하여 고찰하였으며 열전달 계수는 정상상태에서 열원표면의 온도와 기포탑 내부의 평균 온도의 차를 측정하여 결정하 였다. 기체유속(UG), 슬러리 상에 포함된 고체입자의 분율(CS) 그리고 연속 액상의 표면장력(σ L)이 기포탑 내부의 총 괄 열전달 계수(h)에 미치는 영향을 규명하였다. 기포탑 내부 열원 표면과 기포탑 벌크영역 간의 온도차는 시간의 변 화에 따른 온도차 요동을 측정하여 그 평균값으로 결정하였다. 기포탑 내부 열원표면과 기포탑 벌크 영역 간의 온도차 요동은 연속 액상의 표면장력이 감소할수록 진폭이 감소하였으며 온도차의 평균값도 감소하였다. 내부 수직 열원과 기 포탑 간의 총괄 열전달 계수는 기체의 유속과 슬러리 상에 포함된 고체입자의 분율이 증가함에 따라 증가하였으며 연 속 액상의 표면장력이 증가함에 따라 감소하였다. 표면장력이 물보다 작은 연속 액상의 기포탑에서 측정된 총괄 열전 달 계수는 본 연구의 범위 내에서 실험변수와 무차원군의 상관식으로 나타낼 수 있었다. Characteristics of overall heat transfer were investigated in a three-phase slurry bubble column with relatively low surface tension media, which has been frequently encountered in the fields of industry. The heat transfer phenomena was examined in the system which was composed of a coaxial vertical heater and a proper of bubble column. The heat transfer coefficient was estimated from the measured mean value of temperature difference between the heater surface and the column proper at the steady state condition. Effects of gas velocity (UG), solid fraction in the slurry phase (CS) and surface tension (σ L) of continuous liquid media on the overall heat transfer coefficient (h) in the bubble column were determined. The mean value of temperature difference was estimated from the data of temperature difference fluctuations with a variation of time. The amplitude and mean value of temperature difference fluctuations with respect to the elasped time appeared to decrease with decreasing the surface tension of liquid phase. The overall heat transfer coefficient between the immersed heated and the bubble column increased with an increase in the gas velocity or solid fraction in the slurry phase, but it decreased with an increase in the surface tension of continuous liquid media, The overall heat coefficient in the slurry bubble column with relatively low surface tension media was well correlated in term of operating variables and dimensionless groups within this experimental conditions.
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삼상유동층에서 동력학적 기체유출 측정방법에 의한 큰 기포와 작은 기포의 체류량 특성 해석
임현오 ( Hyun Oh Lim ),임대호 ( Dae Ho Lim ),서명재 ( Myung Jae Seo ),강용 ( Yong Kang ),정헌 ( Heon Jung ),이호태 ( Ho Tae Lee ) 한국화학공학회 2011 Korean Chemical Engineering Research(HWAHAK KONGHA Vol.49 No.5
Phase holdup characteristics of relatively large and small bubbles were investigated in a three-phase(gas-liquid-solid) fluidized bed of which diameter was 0.105 m(ID) and 2.5 m in height, respectively. Effects of gas(0.01~0.07 m/s) and liquid velocities(0.01-0.07 m/s) and particle size(0.5-3.0x10(-3) m) on the holdups of relatively large and small bubbles were determined. The holdups of two kinds of bubbles in three phase fluidized beds were estimated by means of static pressure drop method with the knowledge of pressure drops corresponding to each kind of bubble, respectively, which were obtained by dynamic gas disengagement method. Dried and filtered air which was regulated by gas regulator, tap water and glass bead of which density was 2500kg/m3 were served as a gas, a liquid and a fluidized solid phase, respectively. The two kinds of bubbles in three-phase fluidized beds, relatively large and small bubbles, were effectively detected and distinguished by measuring the pressure drop variation after stopping the gas and liquid flow into the column as a step function: The increase slope of pressure drop with a variation of elapsed time was quite different from each other. It was found that the holdup of relatively large bubbles increased with increasing gas velocity but decreased with liquid velocity. However, the holdup showed a local minimum with a variation of size of fluidized solid particles. The holdup of relatively small bubbles increased with an increase in the gas velocity or solid particle size, while it decreased slightly with an increase in the liquid velocity. The holdups of two kinds of bubbles were well correlated in terms of operating variables within this experimental conditions, respectively.
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