• Title/Summary/Keyword: 화학반응식

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Kinetic Studies on the Mechanism of Hydrolysis of Styryldiphenylphosphine Oxide (Styryldiphenylphosphine Oxide의 가수분해 반응 메카니즘에 관한 반응속도론적 연구)

  • Kim, Tae Rin;Shin, Gap Cheol;Pyun, Sang Yong;Lee, Seok Hee
    • Journal of the Korean Chemical Society
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    • v.44 no.5
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    • pp.429-434
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    • 2000
  • The rate constants for the hydrolysis of styryldiphossphine oxide(SDPO) were deter-mined by ultraviolet visible spectrophotometric method and rate equation which can be applied over wide pH ranges was obtained. On the basis of pH-rate profile, hydrolysis product analysis, general base catalysis and substituent effect, a plausible hydrolysis mechanism is proposed : Below pH 4.5, the hydrolysis reaction is pro-ceeded by the attack of water to carbocation after protonaticentration of hydroxide ion.

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Hydrolysis Mechanism of N-(benzoyl)-C-(N-methylanilino)imidoylchloride Derivatives (N-(benzoyl)-C-(N-methylanilino)imidoylchloride 유도체의 가수분해 반응메카니즘)

  • Kwon Ki-Sung;Lee Yong-Gu;Sung Nack-Do;Kim Chon-Suk
    • Journal of the Korean Chemical Society
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    • v.37 no.6
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    • pp.618-625
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    • 1993
  • Rate constants of hydrolysis of N-(benzoyl)-C-(N-methylanilino)imidoylchlorides were determined by UV spectrophotometry in 50% (v/v) aqueous methanol at 25$^{\circ}C$. On the basis of rate equation, substituent effect, solvent effect, salt effect, thermodynamic parameters and hydrolysis product analysis, it may be concluded that the hydrolysis of N-(benzoyl)-C-(N-methylanilino)imidoylchlorides proceed through $S_N$1 mechanism via azocarbonium ion intermediate in the range of from pH 3.0 to pH 10.0, while above pH 10.0 and below pH 3.0 the hydrolysis proceeds through nucleophilic addition-elimination (A$d_{N-E}$) mechanism.

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Chloride Ion Effects on Anodic Dissolution of Copper in Aqueous NaCl Solutions under Argon Atmosphere (아르곤 분위기의 NaCl 수용액에서 구리의 산화 용해반응에 미치는 염화이온의 영향)

  • Chon, Jung-Kyoon;Kim, Youn-Kyoo
    • Journal of the Korean Electrochemical Society
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    • v.11 no.3
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    • pp.159-164
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    • 2008
  • We investigated chloride ion effects on anodic dissolution of copper using potentiodynamic method, cyclic voltammtery, chronoamperometry and chronocoulometry. The anodic dissolution reaction of copper in NaCl solution under argon atmosphere is $Cu+2Cl^{-}{\rightleftharpoons}{CuCl_2}^{-}+e^-$ and chloride ion adsorption process in copper surface can be explained by Temkin isotherm.

MULTI-SCALE SIMULATION FOR DESIGN OF A CATALYTIC MULTI-TUBULAR REACTOR (다관식 촉매 반응기 설계를 위한 multi-scale simulation)

  • Shin Sang-Baek;Im Ye-Hoon;Ha Kyoung-Su;Urban Zbigniew;Han Sang-Phil
    • 한국전산유체공학회:학술대회논문집
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    • 2005.10a
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    • pp.49-53
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    • 2005
  • This paper presents a multi-scale hybrid simulation for the design of a catalytic multi-tubular reactor with high performance. The multi-tubular reactor consists of shell and a large number of tubes in which various catalytic chemical reactions occur. To consider fluid dynamics in the shell-side and kinetics in the tube-side at the same time, commercial CFD package and process simulation tool are coupled. This hybrid approach allowed us to predict many kinds of meaningful results such as tube center temperature profile, heat transfer coefficients on the tube wall, temperature rise of cooling medium, pressure drop through shell and tube side, concentration profile of each chemical species along the tube, and so on., and to achieve the optimal reactor design.

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Supercritical water oxidation of Dimethyl methylphosphonate(DMMP) (Dimethyl methylphosphonate(DMMP)의 초임계수 산화반응)

  • Lee, Hae-Wan;Ryu, Sam-Gon;Lee, Jong-Chol;Hong, Deasik
    • Korean Chemical Engineering Research
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    • v.44 no.6
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    • pp.636-643
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    • 2006
  • Supercritical water oxidation of DMMP using continuous flow reactor was studied at temperature ranging from 440 to $540^{\circ}C$ and a fixed pressure of 242 bar. The range of residence times in the reactor was from 10 to 26 s, and oxygen excess value varied from -40 to 200%. Destruction efficiencies (DE) of DMMP were greater than 99.7% at $540^{\circ}C$, and increased as the DMMP concentrations were increased. DE of DMMP were significantly affected by oxygen concentration under stoichiometric amount, but showed little difference over stoichiometric amount. On the basis of 30 data with conversions greater than 85%, kinetic correlations for the DE of DMMP were developed. The pre-exponential factor was $(1.10{\pm}0.76){\times}10^6$, and the activation energy was $90.66{\pm}3.87kJ/mol$, and the reaction orders for DMMP and oxygen were $1.02{\pm}0.03$, $0.32{\pm}0.03$, respectively. The model predictions agreed well with the experimental data.

Predictionof Average Drop Size in Turbulently Agitated Oil-in-Oil Dispersions (난류교반되는 오일/오일 분산계의 평균입자경 예측)

  • 이성재
    • The Korean Journal of Rheology
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    • v.10 no.1
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    • pp.1-6
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    • 1998
  • 액체와 액체를 교반할 경우 혹은 두가지 이상의 상이 함께 반응하는 화학공정의 경 우에서는 비상용성인 액체들을 난류조건하에 분산시켜 섞이게 한다. 부산계로 구성된 중합 반응기의 경우 분산입자의 크기는 최종제품의 생산성 및 품질에 큰 영향을 미치게 되므로 분산입자의 크기를 예측하는 것은 대단히 중요하다. 이러한 분산계에서 분산입자의 크기는 분산입자가 겪는 유동장에 의해 결정된다. 오일/오일 분산계로 이루어진 고분자 유탁액의 난류교반시 유동장은 종종 점성전단 부영역에 속하게 되는데 이경우의 분산입자의 크기를 예측하는 모델에 대한 연구는 별로 이루어지지않았다. 본연구에서는 오일/오일 분산계의 고 분자 유탁액에 대한 분산입자의 크기를 예측하는 모델식을 유체동력학적인 이론을 배경으로 하여 개발하였다. 개발한 모델식을 난류교반을 겪은 오일/오일 분산계를 거쳐 생산된 제품 인 내충격성 폴리스티렌으로 검증하여 모델식의 타당성을 입증하였다.

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Numerical Study on the Reacting Flow Field abound Rectangular Cross Section Bluff Body (사각 둔각물체 주위의 반응유동장에 대한 수치적 연구)

  • Lee, Jung-Ran;Lee, Eui-Ju
    • Fire Science and Engineering
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    • v.27 no.6
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    • pp.64-69
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    • 2013
  • The Numerical simulation was performed on the flow field around the two-dimensional rectangular bluff body in order to simulate an engine nacelle fire and to complement the previous experimental results of the bluff body stabilized flames. Fire Dynamic Simulator (FDS) based on the Direct Numerical Simulation (DNS) was employed to clarify the characteristics of reacting flow around bluff body. The overall reaction was considered and the constant for reaction was determined from flame extinction limits of experimental results. The air used atmosphere and the fuel used methane. For both fuel ejection configurations against an oxidizer stream, the flame stability and flame mode were affected mainly by vortex structure near bluff body. In the coflow configuration, air velocity at the flame extinction limit are increased with fuel velocity, which is comparable to the experiment results. Comparing with the isothermal flow field, the reacting flow produces a weak and small recirculation zone, which is result in the reductions of density and momentum due to temperature increase by reaction in the wake zone.

Analysis of the Burning Rate of Solid Propellant Accounting for the Evaporation on the Surface (표면 증발을 고려한 고체추진제의 연소율 해석)

  • 이창진
    • Journal of the Korean Society of Propulsion Engineers
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    • v.3 no.1
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    • pp.41-47
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    • 1999
  • The burning rate of solid propellant is one of the key parameter associated with the dynamic characteristics of combustion and the combustion performances. In the AP propellants, the evaporation on the reacting surface as well as the decomposition of the propellant is of great importance in determining the overall burning rate. In this study, a theoretical analysis was conducted to obtain the expression for burning rate in the steady state combustion with the energy and species equations in the condensed phase when the radiative heat flux partially contributes to the total heat transfer to the propellant surface.

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Numerical Analysis of Enzyme Kinetics for Undergraduate Education in Engineering (공학분야 학부교육용 효소반응속도식의 수치해석)

  • Kim, Jae-Seok;Kim, Jae-Yoon;Lee, Jae-Heung
    • The Journal of Korean Institute for Practical Engineering Education
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    • v.2 no.1
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    • pp.35-41
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    • 2010
  • An enzyme-catalized reaction is usually characterized by a very large increase in the rate and high specificity. Kinetics of simple enzyme-catalized reactions are often referred to as Michelis-Menten kinetics. A chemical that interferes with an enzyme's activity is called inhibitor. There are two types of enzyme inhibitions (viz. reversible and irreversible). If an inhibitor attaches to the enzyme with weak bonds, such as hydrogen bonds, the inhibition is usually reversible. Many enzyme reactions are also inhibited reversibly by their corresponding products. The rate of substrate disappearance together with the rate of product formation may be written by nonlinear differential equations. In the present study, numerical analyses of simple enzyme kinetics and inhibited enzyme kinetics are reported for the purpose of undergraduate education in engineering.

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Hydrolysis Mechanism of N-(benzenesulfonyl)-C-(N-methylanilino)imidoyl Chloride Derivatives (N-(benzenesulfonyl)-C-(N-methylanilino)imidoyl Chloride 유도체의 가수분해 반응 메카니즘)

  • Kwon, Ki-Sung;Song, Yun-Yi
    • Journal of the Korean Chemical Society
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    • v.39 no.8
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    • pp.650-656
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    • 1995
  • Rate Constants of hydrolysis of N-(benzenesulfonyl)-C-(N-methylanilino)imidoyl chlorides were determined by UV spectrophotometry in 50% (v/v) aqueous methanol at 25$^{\circ}C.$ On the basis of rate equation, substituent effect, solvent effect, salt effect, thermodynamic parameters and hydrolysis product analysis, it may be concluded that the hydrolysis of N-(benzenesulfonyl)-C-(N-methylanilino)imidoyl chlorides proceed through $S_N1$ mechanism via azocarbonium ion intermediate below pH 9.0, while aebove pH 10.0 the hydrolysis proceeds through nucleophilic addition-elimination ($Ad_{N-E}$) mechanism.

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