• Title/Summary/Keyword: Reaction model

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The Effect of Waste Catalysts and Kinetic Study on the CO2-Lignite Gasification Reaction (CO2-갈탄 가스화 반응에 미치는 폐촉매의 영향 및 반응속도론 연구)

  • Seo, Seok-Jin;Lee, So-Jung;Sohn, Jung Min
    • Clean Technology
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    • v.20 no.1
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    • pp.72-79
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    • 2014
  • In this study, we investigated reaction rate constant and activation energy of $CO_2$ lignite gasification by using waste catalysts (I, II, III) and $K_2CO_3$. The gasification experiments were conducted with the lignite which was mixed physically with the catalysts of 1 wt%, 5 wt%, 10 wt% by thermogravimetry with TGA at $800^{\circ}C$, $850^{\circ}C$ and $900^{\circ}C$. The experimental data was analyzed with kinetic models (VRM, SCM and MVRM). MVRM was the most suitable among the three models. It was confirmed that gasification rate increased with increasing temperature and the activation energies of $CO_2$ gasification of lignite with mixed waste catalysts were lower than that of lignite alone at all temperatures. Especially, 10 wt% of waste catalyst III showed the lowest activation energy, 92.37 kJ/mol, among all lignite-char with catalysts.

The well posedness of a parabolic double free boundary problem

  • Ham, Yoon-Mee
    • Journal of the Korean Mathematical Society
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    • v.32 no.3
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    • pp.389-399
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    • 1995
  • We consider the reaction-diffusion system of two-component model in one-dimensional space described by $$ (1) u_s = d_1 u_{xx} + f(u, \upsilon) \upsilon_t = d_2\upsilon_{xx} + \gammag(u, \upsilon) $$ where $d_1$ and $d_2$ are the diffusion rates of u and $\upsilon$, and $\gamma$ is the ration of reaction rates. It is interesting the case of that there are differences in the diffusion and reaction rates of u and $\upsilon$.

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Ab Initio Study on the Psoralen(I)

  • Kim, Ja-Hong;Kwon, O-Hyung
    • Journal of Photoscience
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    • v.12 no.3
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    • pp.185-186
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    • 2005
  • The electronic structure of photoskinsensitizing psoralens has been investigated by the ab initio calculations. The photocycloaddition reaction of 8-methoxypsoralen with thymine is studied as a model for the photosensitizing reaction of psoralen with DNA bases. The photocycloadduct was inferred to be a C4-cycloaddition product with the stereochemistry of Syn, H-H, Syn, H-T formed through [2+2] addition reaction between the 3,4-double bonds of 8-methoxypsoralen and 5,6-double bond of thymine base.

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A Study on Development of Reaction Rate Equation for Reactive Flow Simulation in Energetic Materials (고에너지 물질의 연소반응 해석을 위한 반응속도식 개발 및 정의에 관한 연구)

  • Kim, Bo-Hoon;Yoh, Jai-Ick
    • Journal of the Korean Society of Propulsion Engineers
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    • v.16 no.5
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    • pp.47-57
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    • 2012
  • A modified ignition and growth(I&G) model which is necessary to simulate the combustion phenomena of energetic materials and an analytical model determining the unknown parameters of the reaction rate equation are proposed. The modified I&G model sustains important physical implications with overcoming some problems of previous rate equations. This rate model consists of ignition term which represents the formation of the hotspot due to void collapse and growth term which means the shock to detonation transition phenomena. Also, the theoretical model is used to investigate the combustion characteristics of certain energetic materials before running Hydrocode by pre-determination of unknown parameter, $b,\;G,\;x,\;I$. The analytical model provides efficient and highly accurate results rather than previous method which simulated the unconfined-rate-stick via the numerical means.

A study on development of reaction rate equation for reactive flow simulation in energetic materials (고에너지 물질의 연소반응 해석을 위한 반응속도식 개발 및 정의에 관한 연구)

  • Kim, Bo-Hoon;Yoh, Jai-Ick
    • Proceedings of the Korean Society of Propulsion Engineers Conference
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    • 2012.05a
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    • pp.331-341
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    • 2012
  • A modified Ignition and Growth(I&G) model which is necessary to simulate the combustion phenomena of energetic materials and an analytical model determining the unknown parameters of the reaction rate equation are proposed. The modified I&G model sustains important physical implications with overcoming some problems of previous rate equations. This rate model consist of Ignition term which represent the formation of the hotspot due to void collapse and Growth term which means the shock to detonation transition phenomena. Also, the theoretical model is used to investigate the combustion characteristics of certain energetic materials before running Hydrocode by pre-determination of unknown parameter, b, G, x, I. The analytical model provides efficient and highly accurate results rather than previous method which simulated the unconfined-rate-stick via the numerical means.

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Application of Continuous Stirred Tank Reactor Model for Water Quality Control and Management in Wetland Treatment (습지의 수질관리를 위한 연속교반탱크반응기 모델의 적용)

  • Kim, Kyung-Sub;Ahn, Tae-Jin;Kim, Min-Su
    • Journal of Korea Water Resources Association
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    • v.41 no.3
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    • pp.243-249
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    • 2008
  • Continuous stirred tank reactor(CSTR) model which can be applied to control and management of the surface flow wetland is developed to simulate the water quality in this research. The model solution is obtained from the optimization model using the least-squares and 4th-order Runge-Kutta methods. The model is applied to simulate BOD and TSS in the wetland database of U.S. EPA, in which the hydraulic and water quality data are enough and the number of pond is just one for simple analysis of running results. The model is tested in two different cases, one constant volume case and another constant volume and flow rate case considering only reaction term, mass flux term and both reaction and mass flux terms respectively. It is found that the model simulates the real water quality very well with both reaction and mass flux terms rather than only reaction term and the settling velocity of TSS becomes $0.3{\sim}0.4\;m/d$. The model can be applied in wetlands treatment efficiently.

Optimal Excitation Trajectories for the Dynamic Parameter Identification of Industrial Robots by Using Combined Model (통합모델과 최적 경로설계를 통한 산업용 로봇 동적 매개변수 규명)

  • Park, K.J.
    • Journal of Power System Engineering
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    • v.12 no.2
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    • pp.55-61
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    • 2008
  • This paper discusses the advantages of using Fourier-based periodic excitation and of combining internal and external models in dynamic robot parameter identification. Internal models relate the joint torques or forces with the motion of the robot; external models relate the reaction forces and torques on the bedplate with the motion data. This combined model allows to combine joint torque/force and reaction torque/force measurements in one parameter estimation scheme. This combined model estimation will yield more accurate parameter estimates, and consequently better predictions of actuator torque, which is shown by means of a simulated experiment on a CRS A465 industrial robot.

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The Present Status of Development of Inductively Coupled Plasma Simulator based on Fluid Model (유체 모델을 기반으로 하는 유도 결합 플라즈마 시뮬레이터 개발 현황)

  • Kwon, D.C.;Yoon, N.S.
    • Journal of the Korean Vacuum Society
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    • v.18 no.3
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    • pp.151-163
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    • 2009
  • The domestic development status of Inductively Coupled Plasma (ICP) simulator which is based on fluid model is explained. As each part which composes the unified simulator, electron heating module, charged and neutral particle transport module, surface reaction module including a sheath model, and GUI (Graphic User Interface) with pre- and post-processors are described in order. Also, we present data base status of chemical reaction and physical collision, which has been applied to the recently developed simulator until now. Lastly, some future plans of development are suggested.

Study of Kinetics of Bromophenol Blue Fading in Alcohol-Water Binary Mixtures by SESMORTAC Model

  • Samiey, Babak;Alizadeh, Kamal;Mousavi, Mir Fazlolah;Alizadeh, Nader
    • Bulletin of the Korean Chemical Society
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    • v.26 no.3
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    • pp.384-392
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    • 2005
  • Solvent effects on the kinetics of bromophenol blue fading have been investigated within a temperature range in binary mixtures of methanol, ethanol, 1-propanol, ethylene glycol and 1,2-propanediol with water of varying solvent compositions up to 40% by weight of organic solvent component. Correlation of logk with reciprocal of the dielectric constant was linear. Finally a mechanism was proposed for the bromophenol blue fading upon SESMORTAC (study of effect of solvent mixture on the one-step reaction rates using the transition state theory and cage effect) model, by means of this model, the fundamental rate constants of the fading reaction in these solvent systems were calculated.

Electrochemical model for the simulation of solid oxide fuel cells (고체산화물연료전지의 시뮬레이션을 위한 전기화학모델)

  • Park, Joon-Guen;Lee, Shin-Ku;Bae, Joong-Myeon
    • 한국신재생에너지학회:학술대회논문집
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    • 2008.10a
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    • pp.63-66
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    • 2008
  • This study presents 0-dimensional model for solid oxide fuel cells(SOFCs). The physics of the cell and the simplifying assumptions are presented, and only hydrogen participates in the electrochemical reaction. The electrical potential is predicted using this model. The Butler-Volmer equation is used to describe the activation polarization and the exchange current density is changed according to the partial pressure of reactants and the temperature. The electrical conductivities of electrodes and an electrolyte are calculated for the ohmic polarization. Material characteristics and temperature affect those factors. Analysis of concentration polarization based on transport of gaseous species through porous electrodes is incorporated in this model. Both binary diffusion and Knudsen diffusion are considered as the diffusion mechanism. For validation, simulation results at this work are compared with our experimental results and numerical results by other researchers.

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