• Title/Summary/Keyword: 분자모사

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Turbomolecular Pump 내 Rotor-Stator의 형상 변화에 따른 유동의 수치적 해석

  • Kim, In-Chan
    • Proceedings of the Korean Vacuum Society Conference
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    • 2012.08a
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    • pp.98-98
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    • 2012
  • 최고진공도 10-10 mbar, 배기속도 2500 L/s를 구현할 대용량 복합 분자펌프(TMP) 설계를 위한 3차원 유동해석을 실시하였다. 진공도가 10-5 mbar 이상이 되는 고진공도에서는 Knudsen 수가 102~107에 이르러 분자간 충돌을 거의 무시할 수 있게 되며, 이때의 유체해석 방법으로서는 통상 희박기체 해석법으로 많이 쓰이는 Direct Simulation Monte Carlo (DSMC) 방법이나 Continuum fluid에 대한 Navier-Stokes 해석보다, 충돌이 없는 분자의 자유운동을 모사하는 Monte Carlo 방법이 더 적합할 수 있다. 본 연구에서는 다단계 rotor와 stator로 구성되는 복합분자 내 유동장에 Monte Carlo 해석법을 적용하여 유동해석을 실시하였다. 해석 방법의 타당성을 확인하기 위해 동일한 형상에 대해 Navier-Stokes 해석과 DSMC 해석을 병행하였다. 각각의 수치적 해석에서 공통적으로, TMP의 성능에 지배적인 영향을 미치는 설계변수는 rotor-stator의 날개각임이 확인되었고, 이 설계변수들의 최적값을 다양한 3차원 유동해석을 통해 도출하였다. 해석결과는 펌프설계에 적용되어 펌프 성능시험결과를 통해 확증된다.

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Molecular Dynamics Study of [C10mim][Br] Aggregation (분자동역학을 이용한 [C10mim][Br] 의 응집에 관한 연구)

  • Yoon, Hong-Min;Lee, Joon-Sang
    • Transactions of the Korean Society of Mechanical Engineers B
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    • v.36 no.8
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    • pp.873-876
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    • 2012
  • Ionic liquids (ILs) existing in the liquid ion form under standard conditions show a unique properties. 1-10-Alkyl-3-methyl-imidazolium bromide ([C10mim][Br]) is one of the ILs that shows amphiphilic characteristics under specific conditions. This property enables it to function as a surfactant, and therefore, it finds applications in a wide range of areas. In this study, we tried to predict the behavior, especially the aggregation aspect, of [C10mim][Br] in an aqueous solution using molecular dynamics (MD) simulations. The canonical (NVT) ensemble was used to relax the system and trace the trajectory of atoms. Several case studies were simulated and the interaction among [C10mim]+, [Br]-, and water was analyzed using the radial distribution function of each atom. The density distribution function was also used for the structural analysis of the entire system. We used the Large-scale Atomic/Molecular Massively Parallel Simulator (LAMMPS) code for the present MD simulations.

Molecular Simulation Studies for Penetrable-Sphere Model : I. Equation of State (침투성 구형 모델에 관한 분자 전산 연구: I. 상태 방정식)

  • Kim, Chun-Ho;Suh, Soong-Hyuck
    • Polymer(Korea)
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    • v.35 no.4
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    • pp.325-331
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    • 2011
  • Molecular simulations via the molecular dynamics method have been carried out to an equation of state of penetrable-sphere model fluids over a wide range of packing fraction ${\phi}$ and finite repulsive energy ${\varepsilon}^*$. The resulting simulation data are compared to theoretical predictions from the two limiting cases of high- and low-penetrability approximations available in the literature. A good agreement between theoretical and simulation results is observed ill the case of ${\varepsilon}^*$ <3.0. However, for the highly repulsive energy systems of ${\varepsilon}^*{\geqq}3.0$, where the potential energy barrier is more than two times higher than the particle kinetic energy, a poor agreement is found due to the clustering formation and the non-continuum size effects in the dense systems of ${\phi}{\geqq}0.7$ and ${\varepsilon}^*$=6.0.

Preparation of Quaternary Energetic Composites by Crystallization and Their Thermal Decomposition Characteristics (결정화에 의한 4성분계 에너지 복합체 제조 및 열분해 특성)

  • Kim, Byoung-Soo;Kim, Jae-Kyeong;Ahn, Ik-Sung;Kim, Hyoun-Soo;Koo, Kee-Kahb
    • Applied Chemistry for Engineering
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    • v.30 no.2
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    • pp.178-185
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    • 2019
  • Three spherical quaternary composites composed of metal/metal oxide/high explosive/oxidizer were prepared by a crystallization/agglomeration process. From the characteristics of composites by thermogravimetric analysis (TGA) and differential scanning calorimetry (DSC), the shortening of the decomposition zone of high explosives in the quaternary composite was observed, which may be attributed to the autocatalytic reaction caused by $ClO_2$ or HCl which are ammonium perchlorate (AP) degradation products. The activation energy analysis showed that the activation energy abruptly decreases at the end of the decomposition zone of high explosives, and it was considered to be caused by $HNO_2$ which is common in decomposition products of high explosives. The activation energy predicted from complex pyrolysis results by the distributed activation energy model (DAEM) showed much better in accuracy than those by model-fitting methods such as Kissinger-Akahira-Sunose and Flynn-Wall-Ozawa models.

Molecular Dynamics Simulation Design and Implementation for Nozzles and Turbines (노즐과 터빈에 대한 분자동력학 시뮬레이션 설계 및 구현)

  • Kim, Su-Hee
    • The Journal of the Korea institute of electronic communication sciences
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    • v.14 no.1
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    • pp.147-154
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    • 2019
  • In this research, a molecular dynamics system was designed and developed to calculate trajectories of molecules in nozzles and turbin blades. The Lennard-Jones potential model was used to approximate the interaction between a pair of molecules and the Verlet integration is used as a numerical method to integrate Newton's equations of motion. To compute Lennard-Jones potential functions, for the number of molecules N, the computation complexity $O(N^2)$ for interactions of all pairs of molecules is reduced to O(N) by using cutoff radius $r_c$. This was implemented to save CPU times.

Space Business and Applications of Vacuum Technology (우주개발과 진공기술의 응용)

  • Lee, Sang-Hoon;Seo, Hee-Jun;Yoo, Seong-Yeon
    • Journal of the Korean Vacuum Society
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    • v.17 no.4
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    • pp.270-277
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    • 2008
  • Vacuum is any air or gas pressure less than a prevailing pressure in an environmental or, specifically, any pressure lower than the atmospheric pressure and is used by a wide variety of scientists and engineering - including clean environment, thermal insulation, very long mean free path, plasma, space simulation[1]. The space environment is characterized by such a severe condition as high vacuum, and very low and high temperature. Since a satellite will be exposed to such a space environment as soon as it goes into its orbit, space environmental test should be carried out to verify the performance of the satellite on the ground under the space environmental conditions. A general and widely used method to simulate the space environment is using a thermal vacuum chamber which consists of vacuum vessel and thermally controlled shroud. As indicated by name of vacuum chamber, the vacuum technology is applied to design and manufacture of the thermal vacuum chamber. This paper describe the vacuum technology which is applied to space business.