• Title/Summary/Keyword: 분자모사

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Comparison of FDDO and DSMC Methods in the Analysis of Expanding Rarefied Flows (팽창희박류의 분석에 있어서 FDDO와 직접모사법의 비교)

  • Chung C. H.
    • Journal of computational fluids engineering
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    • v.1 no.1
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    • pp.142-149
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    • 1996
  • 이차원 노즐을 통하여 저밀도 환경으로 팽창하는 희박류의 분석에 있어서 불연속좌표법과 결합된 유한차분법(finite-difference method coupled with the discrete-ordinate method, FDDO)과 직접모사법(direct-simulation Monte-Carlo method, DSMC)이 비교되었다. FDDO를 이용한 분석에서는 충돌적분모델을 도입하여 간단해진 볼츠만식(Boltzmann equation)이 불연속좌표법을 이용하여 물리적 공간에서는 연속이나 분자속도 공간에서는 불연속좌표로 표시되는 편미분방정식군으로 변환되어 유한차분법에의하여 수치해석 되었다. 직접모사법에서는 분자모델로 가변강구모델(variable hard sphere model, VHS)이, 충돌샘플링모델로는 비시계수법(no time counter method, NTC)이 채택되었다. 전혀 다른 두 가지 방법에 의한 노즐 내부에서의 유체흐름 해석결과는 매우 잘 일치하였으며, 노즐 외부의 plume 영역에서는 FDDO에 의한 해석결과가 직접모사법에 의한 해석결과에 비하여 약간 느린 팽창을 보였다.

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터보분자펌프 파괴장치 구축

  • Kim, Wan-Jung;Choe, Gyeong-Min;Nam, Seung-Hwan;Jeong, Wan-Seop;Im, Jong-Yeon
    • Proceedings of the Korean Vacuum Society Conference
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    • 2013.02a
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    • pp.247-247
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    • 2013
  • 첨단 산업의 급속한 팽창에 기인한 대용량, 고진공 성능의 진공시스템 수요가 증대되고 있다. 이로써 고진공 펌프 국산화의 일환으로 터보분자 펌프 개발이 진행중에 있으며 터보분자 펌프의 특성평가시스템을 자체적으로 설계/제작하였다. 특성평가의 하나로 극한조건 조성, 실제 공정 모사 조건의 기계적 안정성, 공정 대응 내구성의 신뢰성을 단기간에 확보하기 위한것으로 파괴장치가 설계/제작 되었다. 본 연구에서는 400 L/s의 터보분자 펌프를 이용하였고, 다양한 공정 모사 조건하에서 torque, pressure, power, vibration, temperature 등의 특성 변화를 관찰하여 파괴장치의 검증과 신뢰성 확인 및 database를 확보하고자 한다.

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Application of Molecular Simulation in Reverse Osmosis Membrane Research (역삼투압 분리막 연구에서의 분자 전산모사 응용)

  • Lee, Tae Kyung;Nam, Sang Yong
    • Applied Chemistry for Engineering
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    • v.33 no.6
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    • pp.551-556
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    • 2022
  • The desalinated water obtained by the water treatment process based on the membrane is attracting a lot of attention as a promising technology that can solve the global water shortage problem. Reverse osmosis membrane-based desalination, one of the most widely used desalination processes, is a technology that desalinates abundant seawater on Earth, thus having great potential in the desalination industry. To improve the performance of the desalination process, it is necessary to understand the reverse osmosis mechanism of the membrane at the atomic/molecular level. In this review, we introduce molecular simulation, which plays an important role in material research today, and the roles of computational simulation at the atomic/molecular level in the development of reverse osmosis membranes.

Simulation of Design Factor Effects on Performance of Vacuum System (진공시스템 성능에 대한 설계인자 영향 전산모사)

  • Kim, Hyung-Taek;Jeong, Kwang-Pil
    • Journal of the Korean Vacuum Society
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    • v.16 no.6
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    • pp.405-413
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    • 2007
  • Effect of design factors on the performance of vacuum system was simulated for optimum design of system. In this investigation, the feasibility of modelling mechanism for $VacSim^{Multi}$ simulator was proposed. Simulation results of pumping design factor showed the possibilities of simulation fore-study for the detailed design factors. Simulation of roughing pump presented the expected pumping behaviors based on the specifications of commercial pump. Application of booster pump exhibited the high pumping efficiency for middle vacuum range. Combinations of optimum backing pump for diffusion and turbo vacuum system were obtained. And, the characteristics of process application of both systems were also acquired.

Detailed Analysis of Thrust Plume and Satellite Base Region Interaction (인공위성 플룸과 기저면의 상호 작용에 관한 해석)

  • Kim, Jae-Gang;Kwon, Oh-Joon;Lee, Kyun-Ho;Kim, Su-Kyum;Yu, Myoung-Jong
    • Journal of the Korean Society for Aeronautical & Space Sciences
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    • v.36 no.11
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    • pp.1056-1062
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    • 2008
  • The interaction between thrust plume and satellite base region was investigated by using direct simulate Monte-Carlo calculations. For the accurate simulation of N2 and H2 collisions and rotation-translation transition, a variable soft-sphere model and a recent rotational relaxation model of N2 and H2 were used. For the investigation of the interaction between thrust plume and base region, the number density distribution for each species, translational and rotational temperature distributions, heat flux, and pressure were examined by direct simulation of Monte-Carlo calculations. It was found that most of the surface properties are affected by H2 collisions and a strong non-equilibrium state is observed at the base region. It was demonstrated that an accurate model is needed to simulate H2 collisions and the rotation-translation transition. The results by the present calculation are more accurate than previous direct simulation Monte-Carlo calculations because more accurate rotational relaxation models were used in simulating the inelastic collisions.

Development of Turbo Molecular Pump Vacuum Facility for High Altitude Space Environment Test (고고도 우주환경모사용 터보분자펌프 진공설비 구축)

  • Huh, Hwan-Il;Kim, Min-Jae;Kim, Sung-Su
    • Proceedings of the Korean Society of Propulsion Engineers Conference
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    • 2011.11a
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    • pp.827-829
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    • 2011
  • Vacuum facility is required for high altitude space environment test to develop satellites or space launch vehicles. We, at Chungnam, National University, developed turbo molecular pump vacuum test facility up to $1.0{\times}10-6$ torr to simulate 200 km altitude environment. In this paper, we present some preliminary vacuum performance test results.

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고체역학에서의 분자동역학 연구

  • 김성엽;전석기;임세영
    • Journal of the KSME
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    • v.44 no.3
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    • pp.46-54
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    • 2004
  • 이 글에서는 독자의 이해를 돕기 위해, 비교적 쉽게 전산모사 할 수 있는 균열진동해석, 나노압입 해석, 나노리소그래피 해석 등 세 가지에 대한 분자동역학 해석 결과를 소개한다.

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Development of Molecular Dynamics Model for Water Electrolysis Ionomer (수전해용 이오노머 분자동역학 모델 개발)

  • Kang, Hoseong;Park, Chi Hoon;Lee, Chang Hyun
    • Membrane Journal
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    • v.30 no.6
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    • pp.433-442
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    • 2020
  • In this study, in order to build a molecular dynamics simulation model of ionomer for water electrolysis, an ionomer model that reflects the characteristics of a water electrolysis system in which excess water molecules exist was compared to an ionomer built according to the conventional simulation method of the fuel cells membrane. The final ionomer MD models have a strong phase separation and water channel that is one of the important characteristics of the perfluorinated ionomer, and are stable and water-insoluble under excessive water and high temperature conditions. In the ionomer MD models built in this study, the excess water molecules decrease an ion conductivity due to the dilution of ions, but increase a hydrogen diffusivity. Therefore, it is necessary to design the molecular structure of ionomers for water electrolysis in experimental studies as well as molecular dynamics studies according to the characteristics of the water electrolysis system reported in this study.