• Title/Summary/Keyword: Reaction model

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A Study on Simulation of Desulfurization in a Continuous Fluidized Bed Using Natural Manganese Ore (천연망간광석을 이용한 연속식 유동층 반응기에서 탈황모사에 관한 연구)

  • Hong, Sung Chang
    • Korean Chemical Engineering Research
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    • v.43 no.2
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    • pp.278-285
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    • 2005
  • In the present work, a reaction of sulfur removal and simulation of desulfurization based on the grain model and two-phase theory were studied using natural manganese ore (NMO) as a sorbent in a continuous fluidized bed reactor. The effect of desulfurization was investigated through the grain model considered the change of pore structure as a function of desulfurization time, particle size of NMO, and diffusion velocity of $SO_2$ in the pores. Among these parameters, the diffusion of $SO_2$ in the pores of NMO was the most important factor. Moreover, the reaction of sulfur removal and desulfurization in a continuous fluidized bed reactor using NMO as a sorbent could be well predict through the grain model and two-phase theory, respectively.

Prediction of Reaction Performance of Pentafluoropropene Hydrogenation for Environmentally Friendly Refrigerant Production (친환경 냉매 제조를 위한 오불화프로펜 수소화반응에 대한 예측)

  • Yun, Mi Hee;Yoo, Kye Sang
    • Applied Chemistry for Engineering
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    • v.27 no.6
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    • pp.573-576
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    • 2016
  • In this study, hydrogenation of 1,2,3,3,3-pentafluoropropene was performed to produce R-1234yf as an environmentally friendly refrigerant. Palladium based carbon was prepared as a catalyst in the hydrogenation reaction. The effect of reaction conditions including the weight hourly space velocity (WHSV), reaction temperature and ratio of hydrogen and reactants on the catalytic performance was investigated. Under the identical reaction conditions, the effect of WHSV on the main product selectivity was insignificant, but a high reaction temperature was essential for the good product selectivity. A high product selectivity was also obtained when the ratio of hydrogen and reactants kept less than 1.5. Moreover, a correlation model involving the statistical approach to predict product yields was developed.

Transesterification of Dimethyl Terephthalate with Diethylene Glycol (Dimethyl terephthalate와 diethylene glycol의 에스테르 교환 반응)

  • Kim, Gunhyung;Cho, Minjeong;Jeon, Yeonghwan;Han, Myungwan;Kang, Kyungsuk
    • Korean Chemical Engineering Research
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    • v.53 no.2
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    • pp.253-261
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    • 2015
  • The kinetics of the transesterification of dimethyl terephthalate (DMT) with diethylene glycol (DEG) was studied in a batch reactor. bis-hydroxyethoxytethyl-terephthalate (BHEET), which is polyester polyol monomer, can be produced by the transesterification reaction. Zinc acetate was used as a catalyst. Previous kinetic studies was carried out in a semi-batch reactor where generated methanol was removed so that reverse reactions were not considered in the kinetic expressions, resulting in inaccuracy of the kinetic model. Mathematical models of a batch reactor for the tranesterification reaction, which took the reverse reaction into account, were developed and used to characterize the reaction kinetics and the composition distribution of the reaction products. More accurate models than previous ones were obtained and found to have a good agreement between model predictions and experimental data. Effect of process variables on the esterification reaction was investigated based on the experimental and simulation results.

Analysis of a Hydrogen Generation Membrane Reactor (수소 생산용 막반응기의 해석)

  • Kim Hyung Gyu;Suh Jung Chul;Baek Young Soon
    • Journal of the Korean Institute of Gas
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    • v.8 no.3 s.24
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    • pp.16-23
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    • 2004
  • A membrane reactor concept, which combines the typical characteristics of chemical reaction with separation process, has been analyzed and simulated in this study. The advantages of the use of a membrane reactor include chemical equilibrium shift towards higher reactant conversion and purer product than the traditional reactors. A membrane reactor model which incorporates a catalytic reaction zone and a separation membrane is proposed. The water-gas shift reaction to produce hydrogen was chosen as a model reaction to be investigated. The membrane reactor is divided into smaller parts by number of n and each part (named cell), which contains both reaction and product separation function is modeled. One of the membrane outlet streams is connected to the next cell, which is repeated up to the last cell. The simulation results can be used for various purposes including decision of optimum operating condition and membrane reactor design.

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BAYESIAN ESTIMATION PROCEDURES IN MULTIPROCESS DISCOUNT NORMAL MODEL

  • Sohn, Joong-Kweon;Kang, Sang-Gil;Kim, Heon-Joo
    • Journal of the Korean Data and Information Science Society
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    • v.6 no.2
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    • pp.29-39
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    • 1995
  • A model used in the past may be altered at will in modeling for the future. For this situation, the multiprocess dynamic model provides a general framework. In this paper we consider the multiprocess discount normal model with parameters having a time dependent non-linear structure. This model has nice properties such as insensitivity to outliers and quick reaction to abrupt changes of pattern.

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Maillard Reaction in an Intermediate Moisture Model Food System (중간수분식품 모델계에서의 마이야르 반응에 관한연구)

  • Kim, Yun-Ji;Choi, Hyeong-Taeg;Yu, Ju-Hyun;Oh, Doo-Hwan
    • Korean Journal of Food Science and Technology
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    • v.19 no.2
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    • pp.113-118
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    • 1987
  • An intermediate moisture model food system was used to investigate the effects of water activity (Aw), temperature, pH and polyethyleneglycol (PEG) on the Maillard reaction. The initial molar ratio of glucose to lysine was varied from one half to four. The maximum Maillard reaction was obtained from an initial glucose/lysine molar ratio of approximately three. The rate of Maillard reaction showed a maximum in the range of water activity of a normal intermediate moisture food. 'the model food system was prepared to hold water activity range of 0.47-0.84 and the samples were held at various temperatures. The maximum browning rate occurred at an Aw value of approximately 0.89 at $40^{\circ}C$ and $60^{\circ}C$, 0.74 at $30^{\circ}C$ and 0.67 at $20^{\circ}C$, respectively. The Arrhenius activiation energies for nonenzymatic browning pigment production were 18.03, 15.18 and 9.90 Kcal/mole for the sample with Aw 0.84, 0.74 and 0.67. When the pH of the model system was increased, a significant increase in the browning reaction was observed. On the inhibitive effects of PEG, the higher degree of polymerization, the more inhibition of browning reaction.

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Antioxidant Activity of Panax Ginseng Browning Products (고려인삼(高麗人蓼) 갈변물질(褐變物質)의 항산화효과(抗酸化效果))

  • Kim, Sang-Dal;Do, Jae-Ho;Oh, Hoon-Il
    • Applied Biological Chemistry
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    • v.24 no.3
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    • pp.161-166
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    • 1981
  • Products of ginseng browning reaction were investigated to determine the nature of their antioxidant activity using a model system, White Ginseng and Red Ginseng extracts. In the simulated ginseng model system, the brown color was intensified with an increase in the length of reaction time and the antioxidant activity initially increased in proportion the length of reaction time for up to 17 hrs and then leveled off thereafter. Pararell results were obtained manufacturing of Red Ginseng, Comparison of the antioxidant activity of the inner and outer solutions after dialysis of browning solution showed that the outer solution had a stronger antioxidant activity than the inner one. For further analyses, browning reaction products were fractionated into three peaks on Amberlite CG-120 type I ionexchange resin and designated as fractions I, II and III in order of elution. Partial characterization of the fractions revealed that floe most intense brown fraction (Fraction II) had the strongest antioxidant activity and also exhibited reducing power for Somogyi-Nelson reagents and ninhydrin positive reaction. Both the browning reaction products and Red Ginseng extracts were found to possess potent reactivity with ${\alpha}$,${\alpha}'$-diphenyl-${\beta}$-picrylhydrazyl, whereas White Ginseng extracts showed negligible reactivity.

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Characteristics of Equilibrium, Kinetics, and Thermodynamics for Adsorption of Acid Black 1 Dye by Coal-based Activated Carbon (석탄계 활성탄에 의한 Acid Black 1 염료의 흡착에 있어서 평형, 동력학, 및 열역학적 특성)

  • Lee, Jong-Jib
    • Clean Technology
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    • v.27 no.3
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    • pp.261-268
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    • 2021
  • Equilibrium, kinetics, and thermodynamics of adsorption of acid black 1 (AB1) by coal-based granular activated carbon (CGAC) were investigated with the adsorption variables of initial concentration of dye, contact time, temperature, and pH. The adsorption reaction of AB1 by activated carbon was caused by electrostatic attraction between the surface (H+) of activated carbon and the sulfite ions (SO3-) and nitrite ions (NO2-) possessed by AB1, and the degree of reaction was highest at pH 3 (97.7%). The isothermal data of AB1 were best fitted with Freundlich isotherm model. From the calculated separation factor (1/n) of Freundlich, it was confirmed that adsorption of AB1 by activated carbon could be very effective. The heat of adsorption in the Temkin model suggested a physical adsorption process (< 20 J mol-1). The kinetic experiment favored the pseudo second order model, and the equilibrium adsorption amount estimated from the model agreed to that given by the experiments (error < 9.73% ). Intraparticle diffusion was a rate controlling step in this adsorption process. From the activation energy and enthalpy change, it was confirmed that the adsorption reaction is an endothermic reaction proceeding with physical adsorption. The entropy change was positive because of an active reaction at the solid-liquid interface during adsorption of AB1 on the activated carbon surface. The free energy change indicated that the spontaneity of the adsorption reaction increased as the temperature increased.

A simulation study on synthesis gas process optimization for FT(Fischer-Tropsh) synthesis (FT(Fischer-Tropsh) 합성유 제조를 위한 합성가스 공정 최적화 연구)

  • Kim, Yong-Heon;Lee, Won-Su;Lee, Heoung-Yeoun;Koo, Kee-Young;Song, In-Kyu
    • 한국신재생에너지학회:학술대회논문집
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    • 2009.06a
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    • pp.888-888
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    • 2009
  • A simulation study on SCR (Steam Carbon dioxide Reforming) process in gas-to-liquid (natural gas to Fischer-Tropsch synthetic fuel) process was carried out in order to find optimum reaction conditions for GTL (gas-to-liquid) process reaction. Optimum SCR operating conditions for synthesis gas to FT (Fischer-Tropsch) process were determined by changing reaction variables such as feed temperature and pressure. During the simulation, overall synthesis process was assumed to proceed under steady-state conditions. It was also assumed that physical properties of reaction medium were governed by RKS (Redlich-Kwong-Soave) equation. SCR process was considered as reaction models for synthesis gas in GTL proess. The effect of temperature and pressure on SCR process $H_2$/CO ratio and the effect of reaction pressure on SCR reaction were mainly examined. Simulation results were also compared to experimental results to confirm the reliability of simulation model. Simulation results were reasonably well matched with experimental results.

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Computational Study of Intermetallic Reaction Propagation in Nanoscale Boron/Titanium Metallic Multilayers (보론/티타늄 나노박막다층 내 이종금속간 화학반응 전파특성 해석연구)

  • Kim, Kyoungjin;Park, Joong-Youn
    • Journal of the Korean Society of Propulsion Engineers
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    • v.21 no.3
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    • pp.10-17
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    • 2017
  • The analytical modeling has been established on the self-propagation of intermetallic reaction in the spanwise direction of highly reactive boron and titanium nanoscale multilayers. Assuming that the reaction obeys Arrhenius kinetics, two-dimensional computations are carried out for heat and atomic species diffusion with exothermic reaction model in order to simulate the self-propagation of intermetallic reaction. The effects of bimetallic layer thickness and thickness ratio on the reaction propagation speed are tested and discussed in addition to the assessment of pre-mixing zone effects.