• 제목/요약/키워드: Reaction Dynamics

검색결과 389건 처리시간 0.028초

Experimental Planning for Realistic Force Feedback in a Bicycle Simulator

  • Hun, Yang-Gi;Soo, Kwon-Dong
    • 제어로봇시스템학회:학술대회논문집
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    • 제어로봇시스템학회 2001년도 ICCAS
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    • pp.117.5-117
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    • 2001
  • This paper presents the key idea of handlebar reaction force and pedal resistance force generation in creating life-like feeling in KAIST bicycle simulator. Also, it provides methods to evaluate its reality level with given reaction force profile. In KAIST bicycle simulator, the pedal resistance force and the handlebar reaction force are calculated using the bicycle dynamic model. With the information handlebar angle, rider´s pedaling torque and road profile transmitted from the handlebar system, the pedal system and the visual part, the bicycle dynamics engine calculates the handlebar reaction force and the pedal velocity. The handlebar system and the pedal resistance system generate reaction force and resistance force transmitted from dynamics engine. However to make more realistic riding feeling ...

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The Link Between Stereoselectivity and Spin Selectivity in Intermolecular and Intramolecular Photochemical Reactions

  • Griesbeck, Axel G.
    • Journal of Photoscience
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    • 제10권1호
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    • pp.49-60
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    • 2003
  • How stereo selectivity in singlet and triplet photocycloaddition and photocyclization reactions, respectively, is linked to spin selectivity and how this link affects our understanding of photochemical reaction mechanisms, is described in this review. As illustrative examples, the Paterno-Buchi reaction and the Norrish-Yang cyclization are described with emphasis on triplet biradical structure and dynamics.

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Molecular Modeling and its Experimental Verification for the Catalytic Mechanism of Candida antarctica Lipase B

  • Kwon, Cheong-Hoon;Shin, Dae-Young;Lee, Jong-Ho;Kim, Seung-Wook;Kang, Jeong-Won
    • Journal of Microbiology and Biotechnology
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    • 제17권7호
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    • pp.1098-1105
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    • 2007
  • Quantum mechanical and molecular dynamics simulation analysis has been performed on the model system for CALB (Candida antarctica lipase B) with esters to study the reaction mechanism and conformational preference of catalytic hydrolysis and the esterification reaction. Using quantum mechanical analysis, the ping-pong bi-bi mechanism was applied and energies and 3-dimensional binding configurations of the whole reaction pathways were calculated. Further molecular dynamics simulation analysis was performed on the basis of the transition state obtained from quantum mechanical study to observe the effect of structures of the substrates. Calculation results using substrates of different chain length and chiral configurations were compared for conformational preference. The calculated results showed very small influence on chain length, whereas chiral conformation showed big differences. Calculated results from molecular modeling studies have been compared qualitatively with the experimental data using racemic mixtures of (${\pm}$)-cis-4-acetamido-cyclopent-2-ene-1-ethyl acetate as substrates.

TWO-DIMENSIONAL SIMULATION OF HYDROGEN IODIDE DECOMPOSITION REACTION USING FLUENT CODE FOR HYDROGEN PRODUCTION USING NUCLEAR TECHNOLOGY

  • CHOI, JUNG-SIK;SHIN, YOUNG-JOON;LEE, KI-YOUNG;CHOI, JAE-HYUK
    • Nuclear Engineering and Technology
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    • 제47권4호
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    • pp.424-433
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    • 2015
  • The operating characteristics of hydrogen iodide (HI) decomposition for hydrogen production were investigated using the commercial computational fluid dynamics code, and various factors, such as hydrogen production, heat of reaction, and temperature distribution, were studied to compare device performance with that expected for device development. Hydrogen production increased with an increase of the surface-to-volume (STV) ratio. With an increase of hydrogen production, the reaction heat increased. The internal pressure and velocity of the HI decomposer were estimated through pressure drop and reducing velocity from the preheating zone. The mass of $H_2O$ was independent of the STV ratio, whereas that of HI decreased with increasing STV ratio.

25kW급 평판형 메탄-수증기 개질기 열유동 전산해석 (Computational Fluid Dynamics Analysis of 25kW Plate Type Methane-steam Reformer)

  • 신동훈;서혜경;임희천;이상득
    • 한국신재생에너지학회:학술대회논문집
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    • 한국신재생에너지학회 2006년도 춘계학술대회
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    • pp.103-106
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    • 2006
  • The Plate reformer consisting of combustion chamber and reforming chamber for 25 kW MCFC stack has been operated and computational fluid dynamics was applied to estimate reactions and thermal fluid behavior in the reformer. The methane air 2-stage reaction was assumed in the combustion chamber, and three step steam reforming reactions were included in the calculation. Flow uniformity, reaction rate and species distribution, and temperature distribution were analyzed. In particular, temperature distribution was compared with the measurements to show good agreement in the combustion chamber, however, inappropriate agreement in the reformer chamber

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용융탄산염 연료전지용 평판형 개질기 열유동 전산유체역학 해석 (Computational Fluid Dynamics Analysis of Plate Type Reformer for MCFC)

  • 신동훈;서혜경;임희천;이상득
    • 한국수소및신에너지학회논문집
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    • 제17권4호
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    • pp.403-408
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    • 2006
  • The plate reformer consisting of combustion chamber and reforming chamber for 25 kW MCFC stack has been operated and computational fluid dynamics was applied to estimate reactions and thermal fluid behavior in the reformer. The methane air 2-stage reaction was assumed in the combustion chamber, and three step steam reforming reactions were included in the calculation. Flow uniformity, reaction rate and species distribution, and temperature distribution were analyzed. In particular, temperature distribution was compared with the measurements to show good agreement in the combustion chamber, however, inappropriate agreement in the reformer chamber.

작은 반응 매질에서 일어나는 촉매 반응 속도에 관한 연구 (Kinetics of Catalytic Reactions Occurring in a Small Reaction Volume)

  • 김중한;성재영
    • 대한화학회지
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    • 제52권3호
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    • pp.217-222
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    • 2008
  • 본 논문에서는 반응 매질의 부피가 촉매 반응 속도에 미치는 영향을 조사하였다. 단순하지만 정확한 모델에 대한 연구로부터 촉매 반응의 반응 속도 계수는 매질의 부피가 줄어들 수록 증가함을 알게 되었다. 평균 반응속도 상수(average reaction rate constant)는 Collins-Kimball 속도 상수의 일반화 된 형태로 얻어졌는데, 속도 상수는 부피의 효과를 보정해주는 인자를 포함하고 있다. 조사한 모델의 반응물 농도는 전통적 화학 반응론에서 예측되는 지수함수적 감소와는 상당한 차이를 보이는데 이는 기존 화학 반응속도론에서는 무시되는 반응분자 공간 분포의 비평형 확산운동(non-equilibrium diffusive dynamics)의 효과 때문이다. 반응 매질의 부피 가 유한한 점을 고려하면, 반응 시간이 충분히 오래 지났을 때, 기존의 확산지배 반응에서는 예측 되는 않는 지수 함수적 농도 감소가 얻어지는데, 그 속도 상수 역시 반응매질 크기에 의존한다.

Design and Control of a Firefight Cannon Manipulator Applying Sliding Mode Control

  • Vu, Mai The;Choi, Hyeung-Sik;Kang, Hyeon-Seung;Bae, Jae-Hyeon;Joo, Moon-G.;Joo, Yeong-do
    • Journal of Advanced Marine Engineering and Technology
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    • 제39권5호
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    • pp.554-562
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    • 2015
  • This paper describes an analysis of an architecture and control system of a firefighting cannon manipulator (FCM) composed of two joint axes and one water-shooting actuator. Because the orienting FCM motion is disturbed by the reaction force from water shooting, the water shooting force has been modeled for robust control. The dynamics model of the manipulator has been set up including the external force of water-shooting reaction on the manipulator. A PD Controller and Sliding Mode Controller have been designed and their performance been tested through simulation to track a desired trajectory under the disturbance of a water-shooting reaction. The simulation shows that the performance of the Sliding Mode Controller is better than that of the PD controller.

Spinning Detonation 파의 3차원 수치 해석 (Three-Dimensional Numerical Analysis of Spinning Detonation Wave)

  • 조덕래;최정열;원수희
    • 한국연소학회:학술대회논문집
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    • 한국연소학회 2006년도 제32회 KOSCO SYMPOSIUM 논문집
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    • pp.205-212
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    • 2006
  • Three-dimensional numerical study was carried out for the investigation of the detonation wave structures propagating in tubes. Fluid dynamics equations and conservation equation of reaction progress variable were analyzed by a MUSCL-type TVD scheme and four stage Runge-Kutta time integration. Chemical reaction was modeled by using a simplified one-step irreversible kinetics model. The variable gas properties between unburned and burned states were considered by using variable specific heat ratio formulation. The unsteady computational results in three-dimension show the detailed mechanisms of rectangular and diagonal mode of detonation wave instabilities resulting same cell length but different cell width in smoked-foil record. The results for the small reaction constant shows the spinning mode of three-dimensional detonation wave dynamics, which was rarely observed in the previous numerical simulation of the detonation waves.

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Quasi-classical Trajectory Calculation of the Chemical Reactions Ba+C6H5Br, m-C6H4CH3Br

  • Xia, Wenwen;Liu, Yonglu;Zhong, Haiyang;Yao, Li
    • Bulletin of the Korean Chemical Society
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    • 제33권2호
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    • pp.589-596
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    • 2012
  • In this paper, the reactive dynamics properties of the reactions Ba + $C_6H_5Br$ and Ba + m-$C_6H_4CH_3Br$ were studied by means of the quasi-classical trajectory method based on the London-Eyring-Polanyi-Sato potential energy surfaces. The vibrational distributions, reaction cross sections, rotational alignments of the products BaBr all were obtained. The peak values of the vibrational distributions are located at $\nu$ = 0 for the reactions Ba + $C_6H_5Br$ and Ba + m-$C_6H_4CH_3Br$ when the collision energies are 1.09 and 1.10 eV, respectively. The reaction cross sections increase with the increasing collision energy, which changes from 0.6 to 1.5 eV. The product rotational alignments deviate from -0.5 and firstly increase and then decrease while the collision energy is increasing, just like that of Heavy+Light-Light system.