• Title/Summary/Keyword: Equilibrium reaction

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Intramolecular Esterification by Lipase Powder in Microaqueous Cycohexane (미소 수용 Cyclohexange 중에서 분말 Lipase에 의한 분자내 에스테르화반응)

  • 이민규;감삼규
    • Journal of Life Science
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    • v.5 no.4
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    • pp.155-161
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    • 1995
  • The effects of substrate concentration, enzyme concentration, reaction temperature, and water content were investigated in intramolecular esterification. This study used cyclohexane as organic solvent, power lipase as enzyme, and benzyl alcohol and octanoic acid as substrate. The initial reaction rate was found to be proportional to enzyme concentration; followed Michaelis-Menten equation for octanoic acid; and was inhibited by benzyl alcohol . The observed initial reaction rate first increased, then decreased with increasing reaction temperature, giving rise to the maximum rate at 20$\circ$. The drop in the reaction rate at higher temperature was to partition equilibrium change of substrate between organic solvent and hydration layer of enzyme molecule in addition to the deactivation by enzyme denaturation. Water layer surrounding enzyme molecule seemed to activate in organic solvent and the realistic reaction was done in the water layer. In the enzymatic reaction in organic solvent, the initial reaction rate was influenced by partition quilibrium of substrate, so the optimum condition of substrate concentration, enzyme concentration, reaction temperature, and water content would give a good design tool.

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Numerical Study of Chemical Performance of 30 tonf -class LRE Nozzle of KARI

  • Kang, Ki-Ha;Lee, Dae-Sung;Cho, Deok-Rae;Choi, H.S.;Choi, J.Y.
    • Proceedings of the Korean Society of Propulsion Engineers Conference
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    • 2008.03a
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    • pp.448-451
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    • 2008
  • Three methods of nozzle flow analysis, frozen-equilibrium, shifting-equilibrium and non-equilibrium approaches, were used to rocket nozzle flow, those were coupled with the methods of computational fluid dynamics code. For a design of high temperature rocket nozzle, chemical equilibrium analysis which shares the same numerical characteristics with frozen flow analysis can be an efficient design tool for predicting maximum thermodynamic performance of the nozzle. Frozen fluid analysis presents the minimum performance of the nozzle because of no consideration for the energy recovery. On the other hand, the case of chemical-equilibrium analysis is able to forecast the maximum performance of the nozzle due to consideration for the energy recovery that is produced for the fast reaction velocity compared with velocity of moving fluid. In this study, using the chemical equilibrium flow analysis code that is combined the modified frozen-equilibrium and the chemical-equilibrium. In order to understand the thermochemical characteristic components and the accompanying energy recovery, shifting-equilibrium flow analysis was carried out for the 30 $ton_f$-class KARI liquid rocket engine nozzle together with frozen flow. The performance evaluation based on the 30 $ton_f$-class KARI LRE nozzle flow analyses will provide an understanding of the thermochemical process in the nozzle and performances of nozzle.

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PATTERN FORMATION IN A GENERAL DEGN-HARRISON REACTION MODEL

  • Zhou, Jun
    • Bulletin of the Korean Mathematical Society
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    • v.54 no.2
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    • pp.655-666
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    • 2017
  • In this paper, we study the pattern formation to a general Degn-Harrison reaction model. We show Turing instability happens by analyzing the stability of the unique positive equilibrium with respect to the PDE model and the corresponding ODE model, which indicate the existence of the non-constant steady state solutions. We also show the existence periodic solutions of the PDE model and the ODE model by using Hopf bifurcation theory. Numerical simulations are presented to verify and illustrate the theoretical results.

A GRAPHICAL ALGORITHM FOR CALCULATING THE RANKS OF COMPLEX REACTION NETWORKS

  • Choo, S.M.;Lee, N.Y.
    • Journal of applied mathematics & informatics
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    • v.30 no.5_6
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    • pp.787-792
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    • 2012
  • We present a graphical algorithm and theorems for calculating the ranks of reaction networks. The ranks are needed to study behaviors of the networks from their structures. This approach can graphically simplify complex networks for the calculation. We show an example of a large network for the practical advantage.

Numerical Modeling of Anodic Reaction of Carbon-Rich Fuel at Solid Oxide Fuel Cell (탄소연료를 이용하는 고체 산화물 연료전지의 연료극 반응 수치해석)

  • Lim, Ho;Kim, Jong-Pil;Song, Ju-Hun;Chang, Young-June;Jeon, Chung-Hwan
    • Journal of Energy Engineering
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    • v.19 no.3
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    • pp.188-194
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    • 2010
  • Direct Carbon Fuel Cell(DCFC), unlike gas turbines or engines, is a kind of fuel cell which directly generates electricity by electrochemical reaction from a carbon fuel. The advantages of DCFC are higher efficiency and lower emission in comparison with existing power generation facilities. In this study, the effects of CO and $CO_2$ on theoretical potential are examined using the thermodynamic equilibrium method, and the dependence of product on operating temperature is examined via two dimensional CFD method. As a result, when the reaction of CO production (Boudouard reaction) considered, theoretical potential is higher than that in only $CO_2$ reactions, and its value increases as temperature increases. Two dimensional results of computational fluid dynamics(CFD) confirm that the Boudouard reaction becomes more important to be considered as temperature increases and inert gas affects the equilibrium composition of the Boudouard reaction.

A Review of Kinetic Model for Production of Highgrade Steel : Part. 2. Complex Reaction Model and Single Reaction Model (고급강 제조 반응 모델의 검토 : Part. 2. 종합 모델 및 단일 반응 모델)

  • Kim, Jeong-In;Kim, Sun-Joong
    • Resources Recycling
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    • v.30 no.1
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    • pp.14-25
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    • 2021
  • As a demand of high-end steel raises, the importance of secondary refinement process also increases. However, the content of each component in molten steel, slag and inclusions change with the time, meaning the secondary refinement process is not an equilibrium state. Furthermore, many reactions occur between molten steel, slag, inclusion, refractory and alloying element during secondary refinement process. In order to consider the above complex reactions with non-equilibrium state, a few researchers developed kinetic models in secondary refinement process based on the experimental numerical equations. It is important to analyze and review to the previously reported models to develop a precise model. Therefore, in present study, the complex reaction models based on kinetic in secondary refinement process were analyzed, reviewed, and introduced. Moreover, the single reaction models also introduced which would be applied to the complex reaction models.

Daytime and Nighttime Photochemical Reactions of the Pure Oxygen System (순수 산소계의 주간 및 야간 광화학반응)

  • Kwnag Sik Yun
    • Journal of the Korean Chemical Society
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    • v.13 no.4
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    • pp.249-261
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    • 1969
  • Studies of photochemical reactions of the pure oxygen atmosphere are made using reaction rate constants and atmospheric data available in the latest literature. The daytime and nighttime variations in atomic oxygen and ozone are computed, based on three different conditions: 1) photochemical equilibrium, 2) direct integrations of the rate equations with modifications and approximation to the equations, and 3) by numerical integrations. The departure from the photochemical equilibrium concentrations during day and nighttime are discussed by comparing the results obtaind from the three conditions.

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Mechanism of Peroxide-supported Hydroxylation by Cytochrome P-450 : Its Formation Pattern of the Active Intermediate (Hydroperoxide 의존성 반응에서의 Cytochrome P-450의 산화활성종 형성양식)

  • 문전옥;김기헌
    • YAKHAK HOEJI
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    • v.37 no.1
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    • pp.95-99
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    • 1993
  • Peroxidase activity of cytochrome P-450 was examined using N, N-dimethylaniline (NDA) as a substrate and cumene hydroperoxide (CHP) as an oxidant. The initial rates of the N-demethylation for varied concentrations of NDA (0.05-0.5 mM) by P-450 at different fixed concentrations of CHP (0.02-0.2 mM) were determined. The results suggest that P-450 proceeds its peroxidative reaction by the rapid equilibrium random bi bi mechanism to form a ternary complex with substrate and oxidant as an active intermediate.

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Interactions between Hydrodesulfurization of Thiophene and Hydrodenitrogenation of Pyridine and the Kinetic Analysis (수첨탈황과 탈질반응에서 Thiophene과 Pyridine의 상호영향과 그 속도론적 해석)

  • 박종희;한창훈;김경림
    • Journal of Korean Society for Atmospheric Environment
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    • v.4 no.1
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    • pp.13-22
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    • 1988
  • Interactions between hydrodesulfurization of thiophene and hydrodenitrogenation of pyridine and the kinetic analysis were studied over $Ni-W/\gamma-Al_2O_3$ catalysts and this study was made at temperatures ranging from 473-673 K and at total pressures ranging from 10-25 $\times 10^5$ Pa. Hydrodesulfurization of thiophene was inhibited by presence of pyridine at all temperatures studied, and the rate of pyridine hydrodenitrogenation was slower than that of thiophene hydrodesulfurization in the operating conditions. Pyridine hydrodenitrogenation was also inhibited by the presence of thiophene at low temperatures but was enhanced by the thiophene at temperatures higher than 613K. Thiophene reaction rate was determined by multiple linear regression analysis using Langmuir-Hinshelwood-Hougen-Watson model and the result was given to be $r = kP_T^p_H/(1+K_Tp_T+K_Pp_P)^2$. At each temperature, reaction rate constants and absorption equilibrium equilibrium constants were determined and the activation energy was 12.98 kcal/gmol from Arrhenius plot.

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Reaction Mechanism of Transglycosylation of Stevioside in the Attrition Coupled Reaction System Using Raw Starch as a Glycosyl Donor (생전분을 당공여체로 한 분쇄마찰매체 함유 효소반응계에서의 Stevioside의 당전이 반응 기작)

  • Baek, Seung-Gul;Park, Dong-Chan;Huh, Tae-Lin;Lee, Yong-Hyun
    • Microbiology and Biotechnology Letters
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    • v.22 no.3
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    • pp.252-258
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    • 1994
  • Transglycosylation of stevioside in the attrition coupled heterogeneous reaction system using raw starch as a glycosyl donor has significant advantages over conventional reaction systems using liquefied starch as a donor. The transglycosylation of stevioside under the presence of organic solvent showed that transglycosylation reaction occurs via two steps ; initially from raw starch to cyclodextrin(CD), and then followed by transglycosylation of produced CD. Comparison of the transglycosylation efficiency of c$\alpha $-, $\beta $, $\gamma $-CDs indicated that $\alpha $-, $\beta $-CD are mainly utilized as a glycosyl donor for following reaction. The reaction mechanism of transglycosylation between stevioside and CD proceeded according to random sequential bireactant mechanism. The equilibrium constant of transglycosylation reaction of cyclodextrin glucanotransferase wase also evaluated. The structure of transglycosylated stevioside was confirmed by TLC, and it was found that glycosyl group(G$_{1}, $ ~ G$_{4}$-glycosidic bond.

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