• 제목/요약/키워드: molecular method

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터보 분자 펌프(Turbomolecular pump)내의 자유 분자 유동에 관한 수치 해석적 연구 (A Numerical Study of a Free Molecular Flow in the Turbomolecular Pump)

  • 황영규;허중식
    • 설비공학논문집
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    • 제8권2호
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    • pp.219-229
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    • 1996
  • In the free molecular flow range, the pumping performance of a turbomolecular pump has been predicted by calculation of the transmission probability employing the integral method and the test particle Monte-Carlo method. The velocities of molecules incident upon a moving blade are given by the random numbers, which are sampled from the Maxwell molecular velocity distribution function. The present results agree quantitatively with the previous known numerical results. For a multi-stage pump, the velocity profile of molecules between two blade rows is not Maxwell distribution. In this case, the Monte-Carlo method is employed to calculate the overall transmission probability for the entire set of blade rows. When the results of the approximate method combining the single stage solutions are compared with those of the Monte-Carlo method for the pump having six rows at C=0.6, the approximate method overestimates as much as 36% in the maximum compression ratio and 19% in the maximum pumping speed than does the Mote-Carlo method.

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분자영상 방사성추적자의 생산에 사용되는 방사성동위 원소 표지방법 (Radiolabeling Methods Used for Preparation of Molecular Probes)

  • 최연성
    • 대한핵의학회지
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    • 제38권2호
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    • pp.121-130
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    • 2004
  • Molecular imaging visualizes cellular processes at a molecular or genetic level in living subjects, and diverse molecular probes are used for this purpose. Radiolabeling methods as well as radioisotopes are very important in preparation of molecular probes, because they can affect the biodistribution in tissues and the excretion route. In this review, the molecular probes are divided into small organic molecules and macromolecules such as peptides and proteins, and their commonly used radiolabeling methods are described.

분자 압축 탈수방법을 이용한 인삼분말의 품질특성 (Quality Characteristics of Ginseng Powder using Molecular Press Dehydration Method)

  • 이현석;권기현;정진웅
    • Journal of Biosystems Engineering
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    • 제34권3호
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    • pp.155-160
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    • 2009
  • This study was attempted to quality characteristics of ginseng powder using molecular press dehydration(MD) method. Ginseng powder was dried using maltodextrin as dehydrating agents, and the quality of the ginseng powder was compared with that of freeze-drying and hot air-drying samples in terms of colors, moisture contents and grain size. The colors of ginseng powder using MD-drying and freeze-drying was better than hot air-dried ginseng powder. The moisture contents of ginseng powder using MD-drying was 9.49%, while freeze-drying was 4.14% and hot air-drying 11.71% after 72ball mill times. The grain size of ginseng powder using MD-drying and freeze-drying was better than hot air-drying ginseng powder. These results suggest that drying of ginseng powder using molecular press dehydration method is very efficient, because minimal cell destruction may be achieved.

A Method for Determining Molecular Weights of Block Copolymers by Gel Permeation Chromatography

  • Sohn, Jeong-In;Ree, Tai-Kyue
    • Bulletin of the Korean Chemical Society
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    • 제5권4호
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    • pp.140-145
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    • 1984
  • A theory is given for determining the molecular weights of block copolymers from the experimental elution volume in GPC. Interaction effect between a sample of block copolymer and a column packing material as well as the size effect are separately considered for the first time applying the partial exclusion mechanism proposed by Dawkins. The molecular weight determination shows 6${\%}$ standard-deviation from the molecular weights measured by an osmometric method for eight block copolymers, which is much more improved result than other methods, e.g., the universal plot method (13 ${\%}$) and the Runyon's method (12 ${\%}$). The reason which explains the better result is that our theory takes into account the interaction effect correctly.

분자동역학을 이용한 공구형상에 따른 미소절삭현상에 관한 연구 (A Study on the Microcutting for Configuration of Tools using Molecular Dynamics)

  • 문찬홍;김정두
    • 한국정밀공학회지
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    • 제12권4호
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    • pp.135-142
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    • 1995
  • Recently, the analysis of microcutting with submicrometer depth of cut is tried to get a more high quality surface product, but to get a valuable result another method instead of conventional finite element method must be considered because finite element method is impossible for a very small focused region and mesh size. As the alternative method, Molecular Dynamics or Statics is suggested and accepted in the field of microcutting, indentation and crack propagation. In this paper using Molecular Dynamics simulation, the phenomena of microcutting with subnanometer chip thickness is studied and the cutting mechanism for tool edge configuration is evaluated. As the result of simulation the atomistic chip formation is achieved.

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Molecular Modeling of Complexation Behavior of p-tert-Butylcalix[5]arene Derivative toward Butylammonium Ions

  • Choe, Jong-In;Chang, Suk-Kyu
    • Bulletin of the Korean Chemical Society
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    • 제23권1호
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    • pp.48-52
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    • 2002
  • Using several molecular modeling programs we have performed computer simulations to investigate the complexation behaviors of an ester derivative of p-tert-butylcalix[5]arene (1e) toward a variety of butylammonium ions. Semi-empirical AM1 method was used for calculating the binding energies and the formation enthalpies. MM and CVFF forcefields for molecular mechanics calculations were adapted to express the complexation energies of the host. Molecular dynamics were performed to the calculated complex systems to simulate the ionophoric behavior of the host-guest complexes. The absolute Gibbs free energies of the host (1e) complexed with four kinds of butylammonium ions have been calculated using the Finite Difference Thermodynamic Integration (FDTI) method in Discover. Calculation results show that the trend in complex formation is n-$BuNH_3^+$ > iso-$BuNH_3^+$ >> sec-$BuNH_3^+$ > tert-$BuNH_3^+$, which is in good agreement with the experimental results.

분자동역학법에 의한 기액계면 분자의 운동특성에 관한 고찰 (A Study on the Characteristics of Molecular Motions on a Liquid-Vapor Interface by a Molecular Dynamics Method)

  • 김혜민;박권하;최현규;최순호
    • Journal of Advanced Marine Engineering and Technology
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    • 제29권1호
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    • pp.34-41
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    • 2005
  • An experimental study of molecular motions on a liquid-vapor interface is limited due to micro-scale characteristics of a system with an angstrom or a nanometer size Therefore, in recent, many studies for micro-scale systems have been conducted by a computer simulation because it is free from experimental limitations. In this study, through the molecular dynamic (MD) method. molecular behavior was clarified on a liquid-vapor interface and a criterion to distinguish between liquid and vapor was suggested by a potential energy and the number of neighboring molecules. At an interface. the potential energy of a molecule was increased but the number of neighboring molecules was decreased when the molecule moved into a vapor region from a liquid region, and vice versa.

회전날개주위 분자천이유동의 수치해석방법에 관한 연구 (A Study of the numerical method on the molecular transition flow for the rotating blades)

  • 허중식;황영규;박종윤
    • 한국진공학회지
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    • 제8권2호
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    • pp.83-92
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    • 1999
  • Pumping performance of a disk-type molecular drag pump for a hybrid molecular pump is numerically analyzed by the direct simulation onte-Carlo method. The flows in pumping channels are three-dimensional (3D) in a molecular transition regime. The main difficulty in modeling a 3D case comes from the rotating frame of reference. Thus, trajectories of particles ar no longer straight lines. In the present study, trajectories of particles are calculated by integrating a system of differential equations including the Coriolis and centrifugal forces. The null-collisions. The present numerical results molecular model is used for calculation of molecular collisions. The present numerical results significantly disagree with the previously known ones. This indicates that an actual pumping passage is very limited to a narrow region due to the significant backstreaming of molecules from the outlet.

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Aminopyrine 분자화합물의 흡수에 관한 연구 (Studies on the absorption of molecular compounds of aminopyrine)

  • 한세호
    • 약학회지
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    • 제13권4호
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    • pp.125-138
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    • 1969
  • The absorptions of aminopyrine, molecular compounds of aminopyrine and mixed compounds of aminopyrine were studies in the small intestine of rats (in situ). The molecular compounds of aminopyrine were more absorbed than aminopyrine and mixed compounds of aminopyrine were less absorbed than aminopyrine in small intestine of rats. The appearent permeability coefficients and the absorption velocity constants of the molecular compound of aminopyrine-barbital were highest and the orders of decreasing in values of permeability coefficients and the absorption velocity constants of the other molecular compounds are as follows: Aminopyrine-secobarbital, Aminopyrine-phenobarbital Aminopyrine-amobarbital, Aminopyrine-cyclobarbital Aminopyrine-allobarbital. The orders of decreasing in values of the appearent permeability coefficients and the absorption velocity constants of the mixed compounds of aminopyrine are as follows: Aminopyrine secobarbital, Aminopyrine allobarbital Aminopyrine cyclobarbital, Aminopyrine amobarbital Aminopyrine phenobarbital, Aminopyrine barbital. The relative absorption rates of aminopyrine, molecular compounds of aminopyrine and the mixed compounds of aminopyrine by the goldfish method and the partition coefficients were correlative to the values of circulation method.

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