• Proceedings of the Korea Air Pollution Research Association Conference
• /
• 2003.05b
• /
• pp.163-164
• /
• 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)

• Journal of the Korean Chemical Society
• /
• v.51 no.3
• /
• pp.227-231
• /
• 2007

We improve Wilehemski-Fixmann theory for intrachain reaction dynamics of a polymer chain by taking into account excluded volume effects between reactive groups in the polymerchain. An approximate analytic expression for the intra-chain reaction dynamics is obtained for Gaussian chain model and compared to Brownian dynamics simulation results. The results of the present theory are in a better agreement to Brownian dynamics simulation results than those calculated by previously reported theories.

• Transactions on Control, Automation and Systems Engineering
• /
• v.4 no.2
• /
• pp.169-175
• /
• 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.

• 제어로봇시스템학회:학술대회논문집
• /
• 2001.10a
• /
• pp.92.1-92
• /
• 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.

• 전기의세계
• /
• v.22 no.1
• /
• pp.9-19
• /
• 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.

• Rapid Communication in Photoscience
• /
• v.4 no.1
• /
• pp.1-8
• /
• 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.

• Bulletin of the Korean Chemical Society
• /
• v.34 no.8
• /
• pp.2473-2479
• /
• 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.

• Bulletin of the Korean Chemical Society
• /
• v.25 no.4
• /
• pp.533-538
• /
• 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.

• Bulletin of the Korean Chemical Society
• /
• v.26 no.5
• /
• pp.763-768
• /
• 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.

• Journal of the Korean Chemical Society
• /
• v.50 no.4
• /
• pp.277-280
• /
• 2006

We report an exact relation between the survival probability, the revisit time distribution, and the reaction-free propagator of the continuous time random walker. The relation holds even for such a general case where the random walker has a distinct jump dynamics at each lattice site, which may be dependent also on the direction of the jump. The application range of the obtained relation is not limited to the nearest neighbor hopping in the bulk lattice either. The result is applicable to a higher dimensional system with the spherical symmetry as well as it is to the one-dimensional system.