• Title/Summary/Keyword: Reaction rate model

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Computer Simulation of Liquid-Fuelled Combustor in Hot Vitiated-Air Stream (고온.저산소 농도영역중의 분무연소해석)

  • 김태한;최병륜
    • Transactions of the Korean Society of Mechanical Engineers
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    • v.17 no.12
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    • pp.3187-3195
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    • 1993
  • Combustion of liquid-fuelled combustion in a high-temperature vitiated-air stream was studied. The mathematical formulation comprise the application of Eulerian conservation equation to the gas phase and Lagrangian equation of droplet motion. The latter is coupled with a droplet-tracking technique (PSI-CELL Model) which regard the droplet phase as a source of mass, momentum, and energy to the gaseous phase. Reaction rate is determined by taking into account the Arrhenius reaction rate based on a single-step reaction mechanism. The calculated profiles show somewhat uncertainess at the upstream, but bases data for designing the combustor followed by 2-phase flow were obtained.

A Study on the Model of Sulfidation Kinetics Using Seashell Wastes (패각 폐기물을 이용한 황화반응 모델에 관한 연구)

  • Kim Young-Sik
    • Journal of Environmental Health Sciences
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    • v.30 no.5 s.81
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    • pp.395-401
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    • 2004
  • In this study, lots of methods have been studing to utilize energy and decrease contaminated effluents. There has been great progress on IGCC (Integrated gasification combined cycle) to reduce thermal energy losses. The following results have been conducted from desulfurization experiments using waste shell to remove $H_{2}S$. Unreacted core model ior desulfuriration rate prediction of sorbent was indicated. These were linear relationship between time and conversion. So co-current diffusion resistance was conducted reaction rate controlling step. The sulfidation rate is likely to be controlled primarily by countercurrent diffusion through the product layer of calcium sulfide(CaS) formed. Maximum desulfurization capacity was observed at 0.631 mm for lime, oyster and hard-shelled mussel. The kinetics of the sorption of $H_{2}S$ by CaO is sensitive to the reaction temperature and particle size at $800^{\circ}C$, and the reaction rate of oyster was faster than the calcined limestone at $700^{\circ}C$.

Kinetic Study on the Polycondensation Reaction of Bis-hydroxyethyl Naphthalate (Bis-hydroxyethyl Naphthalate의 축중합 반응에 관한 속도론적 연구)

  • 이성진;정성일
    • Polymer(Korea)
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    • v.26 no.4
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    • pp.422-430
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    • 2002
  • The kinetics of polycondensation of bishydroxyethyl naphthalate has been studied in the range of 241 -$260^{\circ}C$ using antimony trioxide catalyst. The reaction was performed in a batch reactor and the concentration of reaction mixture was measured with HPLC. The activation energy values of forward and reverse reaction determined from molecular species model were found to be 19.7 and 31.4 kcal/mole, respectively, and the equilibrium constants were in the range of 1.4-2.0, which were larger than that of polycondensation of PET and varied to some degree with temperature. It was confirmed by applying the Flory's distribution function that the reaction rate of the hyroxyethyl group does not depend on the molecular size. By applying functional group model, we observed that there was few difference between the activation energy of the forward reaction and that of reverse reaction, therefore the equilibrium constant has almost constant value of 1.4. The rate constants obtained from functional group model was about 3-4 times larger than that from molecular species model, which showed that both model explains the reaction system well. Although the molecular species model should predict the concentration of as many as ten molecules, it fits for the experimental results well.

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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A Lagrangian Based Scalar PDF Method for Turbulent Combustion Models

  • Moon, Hee-Jang;Borghi, Roland
    • Journal of Mechanical Science and Technology
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    • v.18 no.8
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    • pp.1470-1478
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    • 2004
  • In this paper, a new 'presumed' Probability Density Function (PDF) approach coupled with a Lagrangian tracking method is proposed for turbulent combustion modeling. The test and the investigation of the model are conducted by comparing the model results with DNS data for a premixed flame subjected in a decaying turbulent field. The newly constructed PDF, which incorporates the instantaneous chemical reaction term, demonstrates consistent improvement over conventional assumed PDF models. It has been found that the time evolution of the mean scalar, the variance and the mean reaction rate are strongly influenced by a parameter deduced by a Lagrangian equation which takes into account explicitly the local reaction rate. Tests have been performed for a moderate Damkohler number, and it is expected the model may cover a broader range of Damkohler number. The comparison with the DNS data demonstrates that the proposed model may be promising and affordable for implementation in a moment-equation solver.

Study of Kinetics of Bromophenol Blue Fading in the Presence of SDS, DTAB and Triton X-100 by Classical Model

  • Samiey, Babak;Alizadeh, Kamal;Moghaddasi, Mohammad Ali;Mousavi, Mir Fazlolah;Alzadeh, Nader
    • Bulletin of the Korean Chemical Society
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    • v.25 no.5
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    • pp.726-736
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    • 2004
  • In this paper, kinetics of reaction between Bromophenol blue (BPB) and $OH^-$, called fading, has been studied through a spectrophotometric method in the presence of nonionic Triton X-100 (TX-100), anionic sodium dodecyl sulfate (SDS) and cationic dodecyl trimethylammonium bromide (DTAB) surfactants. The influence of changes in the surfactant concentration on the observed rate constant was investigated. The results are treated quantitatively by pseudophase ion-exchange (PPIE) model and a new simple model called "classical model". The binding constants of BPB molecules to the micelles and free molecules of surfactants, their stoichiometric ratios and thermodynamic parameters of binding have been evaluated. It was found that SDS has nearly no effect on the fading rate up to 10 mM, whereas TX-100 and DTAB interact with BPB which reduce the reaction rate. By the use of fading reaction of BPB, the binding constants of SDS molecules to TX-100 micelles and their Langmuir and Freundlich adsorption isotherms were obtained and when mixtures of DTAB and TX-100 were used, no interaction was observed between these two surfactants.

Effects of Additional Bubbling on RH Vacuum Degassing Process with Water Model Experiment (수모델을 사용한 RH 진공 탈가스장치에서의 추가 버블링 효과)

  • Jang, Young-Hwan;Kim, Young-Tae;Yi, Kyung-Woo
    • Korean Journal of Metals and Materials
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    • v.48 no.5
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    • pp.424-429
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    • 2010
  • In the RH process, it is possible to obtain quicker processing times by enhancing the decarburization rates at a low carbon range of steel melt through Ar gas injection into the vacuum vessel. The RH decarburization reaction was simulated through a dissolved oxygen removal reaction by injecting nitrogen into a 1/8 scale RH water model system. The gas nozzles for the N$_{2}$ injection into the vacuum vessel were located at the lowest level of the vessel's outer wall. The nitrogen bubbling in the vacuum vessel resulted in an increase in the reaction rate constant, which rose in accordance with an increase in the bubbling flow rate and number of nozzles used. However, there was almost no variation in the reaction rate constant, which depended on the horizontal positions of the bubbling nozzles.

The Treatment of Flue SO$_2$ Gas by Cu Powder (I) (구리 분말을 이용한 $SO_2$ 배기가스의 처리(I))

  • 정국삼;김학성;신창섭
    • Journal of the Korean Society of Safety
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    • v.1 no.1
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    • pp.27-32
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    • 1986
  • To remove sulfur dioxide from flue gas by the method of metal oxide, copper powder of average diameter $2.4\mu\textrm{m}$and $51\mu\textrm{m}$ were used in a fixed bed reactor over a, temperature range of $300^{\circ}C-500^{\circ}C$. Copper oxide reacts with sulfur dioxide producing cupric sulfate and it can be regenerated from the latter by using hydrogen or methane. Experimental results showed that the reaction rate was increased by the increase of reaction temperature in the range of $300^{\circ}C-422^{\circ}C$ and the removal efficiency of sulfur dioxide was high in case of small size copper particle. However the removal efficiency was decreased at higher temperature due to decomposition of cupric sulfate. The rate controlling step of this reaction was chemical reaction and deactivating catalysts model can be applied to this reaction. The rate constants for this reaction and deactivation are as follows : k=8,367exp(-10,298/RT) Kd=2.23exp(-8,485/RT)

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A Characterization of Pervaporation-facilitated Esterification Reaction with non-perfect Separation (비완전 막분리시 투과증발 막촉진 에스터화 반응 거동 연구)

  • C. K Yeom;F. U. Baig
    • Membrane Journal
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    • v.13 no.4
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    • pp.268-282
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    • 2003
  • Pervaporation-facilitated esterification with slow reaction regime was characterized by using a practical model based on non-perfect separation through membrane. A non-perfect separation in which the membrane is not perfectly permselective to water was applied to the model. Thus, membrane selectivity and membrane capability to remove water were included in the simulation model to explain how they influence the membrane-facilitated reaction process and improve the reactor performance. It was shown by simulation that in the reaction systems with non-perfect separation, reaction completion can hardly be achievable when any reactant at initial molar ratio=1 or the less abundant reactant at initial molar ratio>1 permeates through membrane, and the permeation of ester accelerates the forward reaction md increase reaction conversion at any instant through removal of product species like water. The volume change causes concentrating both reactants and products that affect the reaction with time in opposite ways; reactant-concentrating effect is dominant during the initial stage of reaction, increasing the reaction rate, and then concentrating product influences more reaction by decreasing the reaction rate.