• Title/Summary/Keyword: Reaction Kinetics Model

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시멘트/슬래그/Fe(II) 시스템에 의한 NAPL TCE의 분해 특성

  • 박정현;강완협;황인성;박주양
    • Proceedings of the Korean Society of Soil and Groundwater Environment Conference
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    • 2004.04a
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    • pp.218-222
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    • 2004
  • Batch slurry experiments were conducted to develop cement/slag/Fe(II) system that could treat hazardous liquid wastes containing halogenated organic solvents. Portland cement in combination with Fe(II) was reported to reductively dechlorinate chlorinated organics in a modified solidification/stabilization process. TCE (trichloroethylene) was used a model halogenated organic solvent. The objectives of this study were to assess the feasibility of using cement and steel converter slag amended with Fe(II) as a low cost abiotic reductive dechlorination and to investigate the kinetics of TCE dechlorination over a wide range of TCE concentration. From the result of screening experiments, cement/slag/Fe(II) system was identified as a potentially effective system to treat halogenated organic solvent. Kinetic studies were carried out to further investigate degradation reaction of TCE NAPL (Non Aqueous Phase Liquids) in cement/slag/Fe(II) systems by using batch slurry reactors. Degradation rate of TCE solution in this system can be explained by pseudo-first-order rate law because the prediction with the rate law is in good agreement with the observed data.

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Dissociation of the Pyridazine Molecular Ion

  • Yim, Min Kyoung;Jung, Sun Hwa;Choe, Joong Chul
    • Bulletin of the Korean Chemical Society
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    • v.35 no.3
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    • pp.721-724
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    • 2014
  • We have explored the potential energy surface for the dissociation of the pyridazine molecular ion using G3 model calculations. The pathways have been obtained for the formation of five possible $C_4H_4^{+{\bullet}}$ isomers by the loss of $N_2$ and the consecutive $H^{\bullet}$ loss. It is predicted that the methylenecyclopropene radical cation is the predominant product in the loss of $N_2$, which is formed via the allenylcarbene radical cation, and $CH_2=C-C{\equiv}CH^+$ is the predominant product in the consecutive $H^{\bullet}$ loss.

Loss of HCN from the Pyrazine Molecular Ion: A Theoretical Study

  • Jung, Sun-Hwa;Yim, Min-Kyoung;Choe, Joong-Chul
    • Bulletin of the Korean Chemical Society
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    • v.32 no.7
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    • pp.2301-2305
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    • 2011
  • The potential energy surface (PES) for the loss of HCN or HNC from the pyrazine molecular ion was determined based on quantum chemical calculations using the G3//B3LYP method. Four possible dissociation pathways to form four $C_3H_3N^{+{{\bullet}}$ isomers were examined. A Rice-Ramsperger-Kassel-Marcus quasi-equilibrium theory model calculation was performed to predict the dissociation rate constant and the product branching ratio on the basis of the obtained PES. The resultant rate constant for the HCN loss agreed with the previous experimental result. The kinetic analysis predicted that the formation of $CH=CHN{\equiv}CH^{+{\bullet}}+HCN$ was predominant, which occurred by three consecutive steps, a C-C bond cleavage to form a linear intermediate, a rearrangement to form an H-bridged intermediate, and elimination of HCN.

Biomechanical Measuring Techniques for Evaluation of Workload (작업부하 평가를 위한 생체역학적 측정방법)

  • Kim, Jung-Yong;Park, Ji-Soo;Cho, Young-Jin
    • Journal of the Ergonomics Society of Korea
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    • v.29 no.4
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    • pp.445-453
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    • 2010
  • It is necessary to quantitatively evaluate the workload of workers in order to improve the level of safety and efficiency as well as to prevent workers from musculoskeletal disorders. The purpose of this study is to introduce biomechanical methods that are largely used to quantitatively evaluate workload. The biomechanical methods use kinematics and kinetics to analyze the movement and force of biomechanical body. Motion analysis, joint angle measurement, ground reaction force, mathematical model, and electromyography (EMG) were introduced as a tool or device for biomechanical evaluation. In this study, the special feature of each method was emphasized and important tips for field measurement were summarized. The information and technique disclosed in this summary can be used to evaluate and design the workplace better by effectively control the workload of field workers.

A Numerical Study on the Effectiveness Factor of Ni Catalyst Pellets for Steam-Methane Reforming (수증기-메탄개질용 Ni 촉매의 유용도에 관한 수치적 연구)

  • Choi, Chong-Gun;Nam, Jin-Hyun;Shin, Dong-Hoon;Jung, Tae-Yong;Kim, Young-Gyu
    • 한국신재생에너지학회:학술대회논문집
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    • 2007.11a
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    • pp.63-66
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    • 2007
  • Reformers which produce hydrogen from natural gas are essential for the operation of residential PEM fuel cells. For this purpose, steam-methane reforming reactions with Ni catalysts is primarily utilized. Commercial Ni catalysts are generally made to have porous pellet shapes in which Ni catalyst particles are uniformly dispersed over Alumina support structures. This study numerically investigates the reduction of catalyst effectiveness due to the mass transport resistances posed by porous structures of spherical catalyst pellets. The multi-component diffusion through porous media and the accurate kinetics of reforming reaction is fully considered in the numerical model. The preliminary results on the variation of the effectiveness factor according to different operation conditions are presented, which is planned to be used to develop correlations in future studies.

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Dielectric Changes During the Curing of Epoxy Resin Based on the Diglcidyl Ether of Bisphenol A (DGEBA) with Diamine

  • 김홍경;차국헌
    • Bulletin of the Korean Chemical Society
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    • v.20 no.11
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    • pp.1329-1334
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    • 1999
  • The curing characteristics of diglycidyl ether of bisphenol A (DGEBA) with diaminodiphenylmethane (DDM) as a curing agent were studied using differential scanning calorimetry (DSC), rheometrics mechanical spectrometry (RMS), and dielectric analysis (DEA). The isothermal curing kinetics measured by DSC were well represented with the generalized auto-catalytic reaction model. With the temperature sweep, the inverse relationship between complex viscosity measured by RMS and ionic conductivity obtained from DEA was established indicating that the mobility of free ions represented by the ionic conductivity in DEA measurement and the chain segment motion as revealed by the complex viscosity measured from RMS are equivalent. From isothermal curing measurements at several different temperatures, the ionic conductivity contribution was shown to be dominant in the dielectric loss factor at the early stage of cure. The contribution of the dipole relaxation in dielectric loss factor became larger as the curing further proceeded. The critical degrees of cure, at which the dipolar contribution in the dielectric loss factor starts to appear, increases as isothermal curing temperature is increased. The dielectric relaxation time at the same degree of cure was shorter for a sample cured at higher curing temperature.

The Kinetic Study of Carbon Deposition in CO2 Reforming of CH4 (메탄의 이산화탄소 개질반응의 탄소퇴적속도에 관한 연구)

  • Lee, Dong-Kyu;Lee, Sung-Hee;Hwang, Kap-Sung;Kwon, Young-Du
    • Applied Chemistry for Engineering
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    • v.16 no.3
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    • pp.337-341
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    • 2005
  • This paper reports the study on coking rate and carbon formation route as a function of reaction temperature using the Ni catalysts in the $CO_2$ reforming of methane. In this paper, carbon deposition on catalysts and its kinetics during reforming reaction were studied by using a thermogravimetric analyzer. Kinetic studies show that reaction orders of carbon formation obtained 1.33 ($CH_4$) and -0.52 ($CO_2$) by experiments on partial pressure of reactant gas, respectively. On the basis of model equation, the kinetic parameters for the coking reaction at different temperatures indicated that methane decomposition dominated carbon formation at lower temperatures ($<600^{\circ}C$), while $CH_4$decomposition and Boudouard reactions become significant for coking in the temperature range of $600{\sim}700^{\circ}C$.

Dynamic Modeling of Gasification Reactions in Entrained Coal Gasifier (석탄 가스화 반응의 동적 거동 전산 모사)

  • Chi, Jun-Hwa;Oh, Min;Kim, Si-Moon;Kim, Mi-Young;Lee, Joong-Won;Kim, Ui-Sik
    • Journal of Hydrogen and New Energy
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    • v.22 no.3
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    • pp.386-401
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    • 2011
  • Mathematical models for various steps in coal gasification reactions were developed and applied to investigate the effects of operation parameters on dynamic behavior of gasification process. Chemical reactions considered in these models were pyrolysis, volatile combustion, water shift reaction, steam-methane reformation, and char gasification. Kinetics of heterogeneous reactions between char and gaseous agents was based on Random pore model. Momentum balance and Stokes' law were used to estimate the residence time of solid particles (char) in an up-flow reactor. The effects of operation parameters on syngas composition, reaction temperature, carbon conversion were verified. Parameters considered here for this purpose were $O_2$-to-coal mass ratio, pressure of reactor, composition of coal, diameter of char particle. On the basis of these parametric studies some quantitative parameter-response relationships were established from both dynamic and steady-state point of view. Without depending on steady state approximation, the present model can describe both transient and long-time limit behavior of the gasification system and accordingly serve as a proto-type dynamic simulator of coal gasification process. Incorporation of heat transfer through heterogenous boundaries, slag formation and steam generation is under progress and additional refinement of mathematical models to reflect the actual design of commercial gasifiers will be made in the near futureK.

Application of Response Surface Methodology (RSM) on Adsorption of Cs Ion in Aqueous Solution with Zeolite X Synthesized from Coal Fly Ash (석탄비산재로 합성한 제올라이트 X에 의한 수중의 Cs 이온 흡착에 반응표면분석법 적용)

  • Lee, Chang-Han;Lee, Min-Gyu
    • Clean Technology
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    • v.23 no.4
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    • pp.413-420
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    • 2017
  • The batch experiments and response surface methodology (RSM) have been applied to the investigation of the Cs adsorption with zeolite X synthesized using coal fly ash generated from the thermal power plant. Regression equation formulated for Cs adsorption was represented as a function of response variables. The model was highly relevant because the decision coefficient ($r^2$) was 0.9630. It was confirmed from the statistical results that the removal efficiency of Cs was affected by the order of experimental factors as pH > Cs concentration > temperature. The adsorption kinetics were more accurately represented by a pseudo second-order model. The maximum adsorption capacity calculated from the Langmuir isotherm model was $151.52mg\;g^{-1}$ at 293 K. Also, according to the thermodynamic parameters calculated from Vant Hoff equation, it could be confirmed that the adsorption reaction was an endothermic reaction and a spontaneous process.

Behavior of Retrogradation Retardation in Rice Starch Paste by Raw Wheat Flour Addition (생밀가루 첨가에 따른 쌀전분 페이스트의 노화지연 연구)

  • Bae, In Young;Lee, Jun Woo;Kim, Hong Sul;Kim, Kyung Mi;Han, Gwi Jung;Kim, Myung Hwan;Jun, Soo Jin;Lee, Hyeon Gyu
    • Korean Journal of Food Science and Technology
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    • v.47 no.6
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    • pp.797-800
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    • 2015
  • The effect of raw wheat flour on starch retrogradation retardation was investigated in a rice starch paste model. Specifically, in terms of amylase activity present in the wheat flour, the retardation effect was investigated depending on reaction temperature (40, 60, and $80^{\circ}C$), incubation time (0, 20, 40, and 60 min), and wheat flour addition levels (0-10%). An increase in wheat flour concentration resulted in a rapid decrease in the elastic modulus (G') as the incubation time increased. The G' changes of the rice starch pastes were furthermore fitted by the first order reaction for the reaction rate estimation on the temperature basis. The experimental reaction rate of the paste sample incubated with 10% wheat flour at $40^{\circ}C$ exhibited good agreement with the predicted value. This result implied that the first order reaction kinetics could be suitable to predict the changes in the G' as a function of incubation temperature and wheat flour concentration.