• 제목/요약/키워드: Reaction Dynamics

검색결과 391건 처리시간 0.029초

원자-라디칼 반응 동력학의 교차 빔 연구 (A Crossed Beam Study of Atom-Radical Reaction Dynamics)

  • Ju Seon-Gyu;Gwon Lee-Gyeong;Lee Ho-Jae;Choe Jong-Ho
    • 한국대기환경학회:학술대회논문집
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    • 한국대기환경학회 2003년도 춘계학술대회 논문집
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    • pp.163-164
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    • 2003
  • Reaction dynamics plays an essential role in understanding the microscopic mechanism of elementary chemical processes at the molecular level. Detailed studies of the reactions of atomic species such as hydrogen and second-row atoms with small closed-shell molecules have provided important insights into hydrocarbon synthesis, combustion, interstellar space and atmospheric chemistry. Despite its mechanistic significance, however, the investigations of atom-radical reaction dynamics are quite scarce in comparison to the extensive studies of atom-molecule reactions. (omitted)

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First Passage Time between Ends of a Polymer Chain

  • 성재영
    • 대한화학회지
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    • 제51권3호
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    • pp.227-231
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    • 2007
  • 윌렘스키-픽스만(Wilehemski-Fixmann)의 사슬고분자 내 화학반응동력학 이론을 반응 그룹들 간의 배제효과를 고려하여 개선하였다. 가우스 체인 양극단 반응 모델의 반응 동력학에 대한 해석적인 표현을 얻어 이를 브라운 동력학 모의 실험결과와 비교하였다. 비교결과 본 이론의 예측이 기존 이론들의 예측 보다 모의실험 결과와 더 잘 일치하였다.

Sliding Mode Control of Spacecraft with Actuator Dynamics

  • Cheon, Yee-Jin
    • Transactions on Control, Automation and Systems Engineering
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    • 제4권2호
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    • pp.169-175
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    • 2002
  • A sliding mode control of spacecraft attitude tracking with actuator, especially reaction wheel, is presented. The sliding mode controller is derived based on quaternion parameterization for the kinematic equations of motion. The reaction wheel dynamic equations represented by wheel input voltage are presented. The input voltage to wheel is calculated from the sliding mode controller and reaction wheel dynamics. The global asymptotic stability is shown using a Lyapunov analysis. In addition the robustness analysis is performed for nonlinear system with parameter variations and disturbances. It is shown that the controller ensures control objectives for the spacecraft with reaction wheels.

Sliding Mode Control of Spacecraft with Actuator Dynamics

  • Cheon, Yee-Jin;Keum, Jung-Hoon;Eunsup Sim
    • 제어로봇시스템학회:학술대회논문집
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    • 제어로봇시스템학회 2001년도 ICCAS
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    • pp.92.1-92
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    • 2001
  • Sliding mode control of spacecraft attitude tracking with actuator, especially reaction wheel, is presented. The sliding mode controller is derived based on quaternion parameterization for the kinematic equations of motion. The reaction wheel dynamic equations represented by wheel input voltage are presented. The input voltage to wheel is calculated from the sliding mode controller and reaction wheel dynamics. The global asymptotic stability is shown using a Lyapunov analysis. In addition the robustness analysis is taken for nonlinear system with parameter variations and disturbances. It is shown that the controller ensures control objectives for the spacecraft with reaction wheels.

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계산기에 의한 회전형전자증폭기의 동특성 및 감자작용 영향에 관한 해석적 연구 (Analytical Study of the Machine Dynamics of the Amplidyne Under the Demagnetization Effect)

  • 장세훈
    • 전기의세계
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    • 제22권1호
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    • pp.9-19
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    • 1973
  • This paper is for the supplementary studies of the theoretical treaties on the machine dynamics of the amplidyne generator under the influencies of the armature reaction. The author has already shown the time-domain expression of the dynamic relations of the machine with balanced control winding, under this operating condition. In this paper, analytical and experimental studies of a test machine are intended to supplement the theories derived in the previous work, entitled "On the dynamics and the demagnetization effect of the amplidyne generator with auxiliary feedback compensating winding". FACOM 230 digital computer is incorporated for processing of a series of experimental data. The machine dynamics are then numerically analyzed with the aid of the computer. The virtual machine responses to stepwise inputs are compared with the computer output to confirm the influence of the armature reaction effect on to the machine dynamics. dynamics.

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Photo-induced inter-protein interaction changes in the time domain; a blue light sensor protein PixD

  • Terazima, Masahide
    • Rapid Communication in Photoscience
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    • 제4권1호
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    • pp.1-8
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    • 2015
  • For understanding molecular mechanisms of photochemical reactions, in particular reactions of proteins with biological functions, it is important to elucidate both the initial reactions from the photoexcited states and the series of subsequent chemical reactions, e.g., conformation, intermolecular interactions (hydrogen bonding, hydrophobic interactions), and inter-protein interactions (oligomer formation, dissociation reactions). Although time-resolved detection of such dynamics is essential, these dynamics have been very difficult to track by traditional spectroscopic techniques. Here, relatively new approaches for probing the dynamics of protein photochemical reactions using time-resolved transient grating (TG) are reviewed. By using this method, a variety of spectrally silent dynamics can be detected and such data provide a valuable description about the reaction scheme. Herein, a blue light sensor protein TePixD is the exemplar. The initial photochemistry for TePixD occurs around the chromophore and is detected readily by light absorption, but subsequent reactions are spectrally silent. The TG experiments revealed conformational changes and changes in inter-protein interactions, which are essential for TePixD function. The TG experiments also showed the importance of fluctuations of the intermediates as the driving force of the reaction. This technique is complementary to optical absorption detection methods. The TG signal contains a variety of unique information, which is difficult to obtain by other methods. The advantages and methods for signal analyses are described in detail in this review.

Reaction Dynamics of CH3 + HBr → CH4 + Br at 150-1000 K

  • Ree, Jongbaik;Kim, Yoo Hang;Shin, Hyung Kyu
    • Bulletin of the Korean Chemical Society
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    • 제34권8호
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    • pp.2473-2479
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    • 2013
  • The kinetics of the radical-polar molecule reaction $CH_3+HBr{\rightarrow}CH_4+Br$ has been studied at temperatures between 150 and 1000 K using classical dynamics procedures. Potential energy surfaces constructed using analytical forms of inter- and intramolecular interaction energies show a shallow well and barrier in the entrance channel, which affect the collision dynamics at low temperatures. Different collision models are used to distinguish the reaction occurring at low- and high-temperature regions. The reaction proceeds rapidly via a complex-mode mechanism below room temperature showing strong negative temperature dependence, where the effects of molecular attraction, H-atom tunneling and recrossing of collision complexes are found to be important. The temperature dependence of the rate constant between 400 and 1000 K is positive, the values increasing in accordance with the increase of the mean speed of collision. The rate constant varies from $7.6{\times}10^{-12}$ at 150 K to $3.7{\times}10^{-12}$ at 1000 K via a minimum value of $2.5{\times}10^{-12}\;cm^3\;molecule^{-1}\;s^{-1}$ at 400 K.

Canonical Sampling Method for Initial Conditions for Reactive Flux Calculations Using Nose-Hoover Chains

  • Lee, Song-Hi;Pak, Young-Shang
    • Bulletin of the Korean Chemical Society
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    • 제25권4호
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    • pp.533-538
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    • 2004
  • Canonical sampling method has been presented to generate the initial conditions for reactive flux studies of organic reactions in water. Velocity Verlet version of Nose-Hoover chain dynamics algorithm has been employed to sample the initial conditions according to canonical distribution. The unstable normal mode of a transition state has been introduced to define a dividing plane separating reactant and product regions in reaction processes. This method has been implemented and tested for the case iels-Alder reaction of methyl vinyl ketone (MVK) and cyclopentadiene (CPD) in water, providing a reliable tool for further reactive flux molecular dynamics studies in condensed media.

Construction of an Improved Tandem Time-of-flight Mass Spectrometer for Photodissociation of Ions Generated by Matrix-assisted Laser Desorption Ionization (MALDI)

  • Moon, Jeong-Hee;Yoon, So-Hee;Kim, Myung-Soo
    • Bulletin of the Korean Chemical Society
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    • 제26권5호
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    • pp.763-768
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    • 2005
  • An improved tandem time-of-flight (TOF) mass spectrometer for the photodissociation (PD) study of ions generated by matrix-assisted laser desorption ionization (MALDI), MALDI-TOF-PD-TOF, has been designed and constructed. Recording a full spectrum with better than unit mass resolution even in low mass range has been achieved without reflectron voltage stepping which was needed in the previous version. Other aspects of the improvement, such as those in the data system which now allow 10-100 times faster spectral acquisition than with the previous instrument, are described. Rationale for the ideas which have led to the improvements is presented also.

Reaction Dynamics of Continuous Time Random Walker in Heterogeneous Environment

  • 성재영
    • 대한화학회지
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    • 제50권4호
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    • pp.277-280
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    • 2006
  • 연속시간 무작위 운동자의 반응이 없을 경우 동력학과 반응이 있는 경우 반응 동력학과의 정확한 상관관계를 보고하였다. 이 상관 관계는 연속시간 무작위 운동자가 그 공간적 위치와 운동의 방향에 따라 다른 운동 성질을 가지는 경우에도 성립한다. 이 결과의 적용범위는 무작위 운동자가 한번에 일정한 거리만 움직이는 경우뿐 아니라 보다 일반적인 경우에도 적용할 수 있으며, 일차원 계와 더불어 등방성을 가지는 다차원 계에도 적용할 수 있다.