• Bulletin of the Korean Chemical Society
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• 제30권2호
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• pp.429-434
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• 2009

The OH($X^2{\Pi},\;{\nu}$"=0, 1) internal state distributions from the reaction of electronically ground state oxygen atoms with HSi$Cl_3$ were measured using laser-induced fluorescence. The ground-state O$(^3P_J)$ atoms with kinetic energies above the reaction barrier were produced by photolysis of N$O_2$ at 355 nm. The OH product revealed strong vibrational population inversion, P(${\nu}$"=1)/P(${\nu}$"=0) = 4.0 ${\pm}$ 0.6, and rotational distributions in both vibrational states exhibit substantial rotational excitations to the limit of total available energy. However, no preferential populations in either of the two $\Lambda$ doublet states were observed from the micropopulations, which supports a mechanism involving a direct abstraction of hydrogen by the atomic oxygen. It was also found that the collision energy between O and HSi$Cl_3$ is effectively coupled into the excitation of the internal degrees of freedom of the OH product ($$ = 0.62, and $<\;f_{rot}>$ = 0.20). The dynamics appear consistent with expectations for the kinematically constrained reaction which supports the reaction type, heavy + light-heavy $\rightarrow$ heavy-light + heavy (H + LH′ $\rightarrow$ HL + H′). The dynamics of oxygen atom collision with HSi$Cl_3$ are discussed in comparison to those with Si$H_4$.

• 한국가스학회지
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• 제20권4호
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• pp.65-77
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• 2016

Fischer-Tropsch 반응기 내 복잡한 반응과 흐름을 상세히 모델링하는 것은 CFD 분야에 있어 도전적 과제이다. Fischer-Tropsch 반응은 여러 가지 탄소수를 가진 탄화수소들을 만들어내는데, 탄화수소에는 무수히 많은 이성질체가 존재하는 이유로 모든 화학종에 대해서 각각의 반응속도식을 도출해 적용하는 것은 어렵다. 이의 극복을 위해 기존 연구들에서 사용된 반응속도식 모델링 방법론들을 분석한 뒤, 화학종별 상세한 반응속도식 적용을 위해 non-Anderson-Schulz-Flory 방법론을 선정하여 상세 모델링을 진행하였다. 또한 반응 특성상 다상 흐름 형태를 띠는데, 다상 흐름 모델링의 경우 상간의 간섭이나 분산상의 분포 및 유동 형태 등에 따라 적합한 모델링 방법론이 다르다. 그러나 기존 연구들에서는 타당성에 대한 논의나 근거 제시 없이 각양각색의 내부 흐름 모델링 방법론이 사용되고 있다. 실험을 통해 내부 흐름 형태를 관찰한 뒤 유동 형태에 따른 모델링을 진행하는 것이 최선이나, 자원 여건상 어려움이 있어, 본 연구에서는 전통적인 유체역학 이론에 근거해 내부 흐름 형태를 먼저 추론하고 Mixture 모델 방법론을 선정하여 체계적인 CFD 모델링을 진행함으로써, 사용된 방법론에 대한 근거를 마련하고자 하였다. 10가지 실험조건에서 진행한 실험 결과와 본 연구의 시뮬레이션 결과를 비교하였으며, 이를 통해 본 연구가 제안하는 체계적 모델링 방법론의 타당성을 입증하였다.

• 한국정밀공학회:학술대회논문집
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• 한국정밀공학회 2013년도 춘계학술대회 논문집
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• pp.1515-1516
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• 2013

• 제어로봇시스템학회:학술대회논문집
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• 제어로봇시스템학회 1989년도 한국자동제어학술회의논문집; Seoul, Korea; 27-28 Oct. 1989
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• pp.395-398
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• 1989

A two dimensional pseudo-homogeneous model for the methanol reforming reaction was developed and its steady and dynamic states were studied by a computer simulation. The reactor tube diameter, the catalyst density in the fixed bed, the feed flow rate, the feed temperature and the external temperature were chosen to be adjusted to determine the length of the reactor. The dynamics of the reactor showed that the system was highly nonlinear and sensitive to the feed disturbances.

• 한국가시화정보학회:학술대회논문집
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• 한국가시화정보학회 2003년도 추계학술대회 논문집
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• pp.51-54
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• 2003

Fluid is an effective element in computer animation. Recently, the techniques from CFD have been actively applied to CG production. In this paper, we describe our fluid animation system which implements a variety of established simulation and rendering methods. We also explain our new techniques such as chemical reaction and hardware-assisted fluid animation that are being developed to enhance the features of our software system.

• Bulletin of the Korean Chemical Society
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• 제34권5호
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• pp.1454-1456
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• 2013

The fluctuations in concentrations of reactants dominate the long-time dynamics of the single (A + A ${\rightarrow}$ 0) and two species (A + B ${\rightarrow}$ 0) diffusion-influenced annihilation reactions. Although hierarchical Smoluchowski approaches can provide a systematic and flexible framework to deal with the fluctuation effects, their results are too complicated to be analytically solved. For the efficient numerical calculation of the complicated fluctuation effect terms, we show that the presented point particle approximation is not only practical but also quite accurate for most conditions in diffusion-influenced reaction systems.

• Bulletin of the Korean Chemical Society
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• 제12권6호
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• pp.692-698
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• 1991

The reaction path Smoluchowski equation approach developed in a recent work to calculate the rate constant for a diffusive multidimensional barrier crossing process is extended to incorporate the configuration-dependent diffusion matrix. The resulting formalism is then applied to the investigation of stilbene photoisomerization dynamics. Adapting a model two-dimensional potential and a model diffusion matrix proposed by Agmon and Kosloff [J. Phys. Chem.,91 (1987) 1988], we derive an eigenvalue equlation for the relaxation rate constant of the stilbene photoisomerization. This eigenvalue equation is solved numerically by using the finite element method. The advantages and limitations of the present method are discussed.

• Bulletin of the Korean Chemical Society
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• 제20권10호
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• pp.1136-1144
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• 1999

The collision-induced reaction of gas-phase atomic hydrogen with hydrogen atoms chemisorbed on a silicon (001)-(2×1) surface is studied by use of the classical trajectory approach. The model is based on reaction zone atoms interacting with a finite number of primary system silicon atoms, which then are coupled to the heat bath, i.e., the bulk solid phase. The potential energy of the Hads‥Hgas interaction is the primary driver of the reaction, and in all reactive collisions, there is an efficient flow of energy from this interaction to the Hads-Si bond. All reactive events occur on a subpicosecond scale, following the Eley-Rideal mechanism. These events occur in a localized region around the adatom site on the surface. The reaction probability shows the maximum near 700K as the gas temperature increases, but it is nearly independent of the surface temperature up to 700 K. Over the surface temperature range of 0-700 K and gas temperature range of 300 to 2500 K, the reaction probability lies at about 0.1. The reaction energy available for the product states is small, and most of this energy is carried away by the desorbing H2 in its translational and vibrational motions. The Langevin equation is used to consider energy exchange between the reaction zone and the bulk solid phase.

• Bulletin of the Korean Chemical Society
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• 제27권10호
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• pp.1659-1663
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• 2006

A many-body master equation is constructed by incorporating stochastic terms responsible for chemical reactions into the many-body Smoluchowski equation. Two forms of Langevin-type of memory equations describing the time evolution of dynamical variables under the influence of time-independent perturbation with an arbitrary intensity are derived. One form is convenient in obtaining the dynamics approaching the steady-state attained by the perturbation and the other in describing the fluctuation dynamics at the steady-state and consequently in obtaining the linear response of the system at the steady-state to time-dependent perturbation. In both cases, the kinetics of statistical averages of variables is found to be obtained by analyzing the dynamics of time-correlation functions of the variables.

• 대한전기학회:학술대회논문집
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• 대한전기학회 2008년도 학술대회 논문집 정보 및 제어부문
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• pp.325-326
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• 2008

서비스 로봇은 인간과 상호 교감을 하기 때문에 감성기반 인터렉션을 가지고 있어야 한다. 그리고 로봇이 인지하는 상황과 환경이 같을지라도 감정 기반 행동 결정 모델의 출력이 달라질수 있도록 한다. 이는 설계하고자 하는 감정 기반 행동 결정 모델의 특성을 변화함으써 해결하고자 하며, 감정 모델의 특성은 성격을 의미한다. 따라서 사람과 같이 성격을 달리함으로써 로봇이 감정을 느끼고 이에 따른 반응을 행동으로 옮길 때, 성격을 반영한 결과를 보이게 된다. 본 논문에서 제안하는 감정 엔진 모델은 reaction dynamics와 internal dynamics, emotional dynamics, behavior dynamics, 성격 등의 다섯 가지 요소로 구성되어 있다. 모든 dynamics는 성격에 영향을 받아 결과를 출력한다. 실험을 위하여 시뮬레이터를 구현하여 성능을 검증하고, 실제 로봇에 적용하기 위하여 3D 캐릭터기반의 헤드 로봇 시스템을 사용하였다.