• Title/Summary/Keyword: Chemical reaction kinetics

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Kinetics and Thermodynamic Studies on the Reaction of Cysteine with Cinnamaldehyde

  • Kim, Tae-Rin;Yun, Se-Joon;Park, Byung-Bin
    • Bulletin of the Korean Chemical Society
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    • v.7 no.1
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    • pp.25-29
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    • 1986
  • The reaction of cysteine with cinnamaldehyde have been studied kinetically and thermodynamically. It was found that the reaction proceeds in two steps; formation of the monoadduct by a Michael type addition followed by the nucleophilic attack of the second cysteine to the carbonyl carbon of the monoadduct to afford the thiazolidine derivative. A reaction profile for the reaction of cysteine with cinnamaldehyde was constructed based on the thermodynamic parameters analyzed for the forward and the reverse reactions. It was assumed that the second step of this reaction accompanies an intermediate, a Schiff base.

Adsorption Kinetics of Carrier-Free Yttrium-90 on Membrane Filters (막여과지에 대한 이트륨-90의 흡착 반응속도에 관한 연구)

  • Won Mok Jae
    • Journal of the Korean Chemical Society
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    • v.16 no.1
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    • pp.1-5
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    • 1972
  • The adsorption kinetics on a membrane filter have been studied by an introduction of acid or alkali in yttrium-90 solution. The change of the adsorption in the filtration process was determined by the filtrate activities with using a microsyringe filter holder connected with a syringe. The over all reaction rate obeyed a reversible first order reaction, and the rate constants thus obtained, showed the values of $k_1$ = 0.12 $sec^{-1}$ and $k_1'$ = 0.039 $sec^{-1}$. As a result of the present studies, it would be reasonable that the rate determining step of the adsorption reaction was the hydrolysis reaction of the adsorbed yttrium ions.

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Reversible Excited-State Proton Transfer: Effect of the Switching of Interaction Potential by Reaction

  • Lee, Jin-uk;Uhm, Je-sik;Lee, Woo-Jin;Lee, Sang-youb;Sung, Jae-young
    • Bulletin of the Korean Chemical Society
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    • v.27 no.2
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    • pp.197-202
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    • 2006
  • In the reaction A + B $^\rightarrow_\leftarrow$ C, where A and B are ionic reactants having opposite charges, a B molecule approaching an A will experience a switching of the interaction potential when the A molecule is captured by one of the other B molecules in the medium. In the reversible case, the former B molecule still has a chance to react with the A, so that one needs to take into account the switched interaction between the reactant B and the product C as well as that between the reactants to treat the kinetics accurately. It is shown that this kind of interaction potential switching affects the relaxation kinetics in an intriguing way as observed in a recent experiment on an excited-state proton transfer reaction.

A Kinetic Study of Biphenyl Type Epoxy-Xylok Resin System with Different Kinds of Catalysts

  • 한승;김환근;윤호규;문탁진
    • Bulletin of the Korean Chemical Society
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    • v.18 no.11
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    • pp.1199-1203
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    • 1997
  • The investigation of cure kinetics of biphenyl epoxy (4,4-diglycidyloxy-3,3,5,5-tetramethyl biphenyl)-xylok resin system with four different catalysts was performed by differential scanning calorimeter using an isothermal approach. All kinetic parameters of the curing reaction including the reaction order, activation energy and rate constant were calculated and reported. The results indicate that the curing reaction of the formulations using triphenylphosphine (TPP) and 1-benzyl-2-methylimidazole (1B2MI) as a catalyst proceeds through a first order kinetic mechanism, whereas that of the formulations using diazabicyloundecene (DBU) and tetraphenyl phosphonium tetraphenyl borate (TPP-TPB) proceeds by an autocatalytic kinetic mechanism. To describe the cure reaction in the latter stage, we have used the semiempirical relationship proposed by Chern and Poehlein. By combining an nth order kinetic model or an autocatalytic model with a diffusion factor, it is possible to predict the cure kinetics of each catalytic system over the whole range of conversion.

Fault detection of chemical process using observer scheme (Observer를 이용한 화학공정의 이상감지)

  • 최용진;오영석;윤인섭
    • 제어로봇시스템학회:학술대회논문집
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    • 1993.10a
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    • pp.589-594
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    • 1993
  • This paper presents a fault detection strategy that discriminates the faulty sensor and that detects the component fault using a bank of observers for the system in which sensor fault and component fault can occur simultaneously. Observers as many as the number of measurements are designed, and each observer uses measurements excluding sequentially one measurement, to estimate the state variables. The faulty sensor can be found out by comparing each state variable from different observer. Next, component fault can be detected by using measurements from the sensors excluding the faulty sensor. The suggested strategy is applied to a nonisothermal, series reaction with unknown reaction kinetics in a CSTR. This strategy is found out to perform well even in the case that the sensor and component fault occur simultaneously. Since each observer is designed to be independent of reaction kinetics, this strategy is not affected by the model uncertainty and nonlinearity of the reaction kinetics.

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Study of Kinetics of Bromophenol Blue Fading in Alcohol-Water Binary Mixtures by SESMORTAC Model

  • Samiey, Babak;Alizadeh, Kamal;Mousavi, Mir Fazlolah;Alizadeh, Nader
    • Bulletin of the Korean Chemical Society
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    • v.26 no.3
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    • pp.384-392
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    • 2005
  • Solvent effects on the kinetics of bromophenol blue fading have been investigated within a temperature range in binary mixtures of methanol, ethanol, 1-propanol, ethylene glycol and 1,2-propanediol with water of varying solvent compositions up to 40% by weight of organic solvent component. Correlation of logk with reciprocal of the dielectric constant was linear. Finally a mechanism was proposed for the bromophenol blue fading upon SESMORTAC (study of effect of solvent mixture on the one-step reaction rates using the transition state theory and cage effect) model, by means of this model, the fundamental rate constants of the fading reaction in these solvent systems were calculated.

Kinetics and Mechanism of Electron Transfer Reaction: Oxidation of Sulfanilic Acid by N-Chloro-p-Toluene Sulfonamide in Acid Perchlorate Medium

  • Sailani, Riya;Bhasin, Meneka;Khandelwal, C.L.;Sharma, P.D.
    • Bulletin of the Korean Chemical Society
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    • v.35 no.1
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    • pp.111-116
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    • 2014
  • The kinetics and mechanism of oxidation of sulfanilic acid by N-chloro-p-toluene sulfonamide (chloramine-T) have been studied in acid medium. The species of chloramine-T were analysed on the basis of experimental observations and predominantly reactive species was taken into account for proposition of most plausible reaction mechanism. The derived rate law (1) conforms to such a mechanism. $$-\frac{d[CAT]}{dt}=\frac{kK_1[RNHCl][SA]}{K_1+[H^+]}$$ (1) All kinetic parameters were evaluated. Activation parameters such as energy and entropy of activation were calculated to be $(61.67{\pm}0.47)kJmol^{-1}$ and $(-62.71{\pm}2.48)kJmol^{-1}$ respectively employing Eyring equation.

Fiber-optic biosensor for the detection of organophosphorus compounds in a contaminated water (Part II : The signal analysis and simulation) (오염수 내의 유기인 화합물의 측정을 위한 광섬유 바이오센서 (제 2 부 : 신호분석 및 수치모사))

  • Choi, Jeong-Woo;Min, Jun-Hong;Lee, Won-Hong
    • Journal of Sensor Science and Technology
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    • v.3 no.2
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    • pp.16-23
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    • 1994
  • Developed fiber-optic biosensor for the detection of organophosphorus compounds in a contaminated water needs the analysis of an enzyme kinetics and the transport phenomena in the reaction part to analyze the sensor signal and to design the sensor. The enzyme inhibition kinetics was investigated and the reactor model was proposed to design the reaction part in the proposed sensor. Since the acetylcholinesterase was inhibited by the organophosphorus compounds, experiments for enzyme inhibition reaction were performed from 0 to 2 ppm to be detected by the developed sensor, and irreversible enzyme inhibition kinetics was proposed. The reactor parts were divided into the two phases, i.e. bulk phase and immobilized enzyme layer, to analyze the flow and diffusion. Sensor signal was able to be analyzed based on the total reactor model established by linking the enzyme reaction kinetics. Based on the proposed model, the effects of loading enzyme amount and enzyme layer thickness on the magnitude of readout signal were simulated.

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Reaction Kinetics between a Cycloaliphatic Diisocyanate(H12MDI) and n-Hexanol (환상지방족 Isocyanate(H12MDI)와 n-Hexanol의 반응속도론)

  • Kim, Taehoon;park, Sungyurb;Park, Sunghoon
    • Applied Chemistry for Engineering
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    • v.9 no.7
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    • pp.1079-1084
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    • 1998
  • Reaction kinetics between 4,4'-dihexyl methane diisocyanate($H_{12}MDI$) and n-hexanol in toluene with dibutyltin dilaurate(DBTDL) as catalyst was studied by experimental measurements and mathematical modeling. Experiments were carried out at various temperatures, catalyst concentrations and [NCO]/[OH] ratios, and the reaction kinetics were described by two second-order reactions, the one between NCO and OH leading to urethane and the other between urethane and NCO leading to allophanate. The rate constants were estimated by the Runge-Kutta 4th-order method. Experiments and mathematical simulations showed a good agreement for various experimental conditions. The [allophanate]/[urethane] ratios at 90% conversion of initial NCO were estimated to be over 20% for most conditions employed in the present study, indicating that allophanate formation might significantly affect the properties of urethane polymers.

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Steam Gasification Kinetics of Sawdust Char at High Temperature (톱밥 촤의 고온 수증기 가스화 특성)

  • Roh, Seon Ah;Yun, Jin Han;Keel, Sang In;Min, Tai Jin;Lee, Jung Kyu
    • Korean Chemical Engineering Research
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    • v.52 no.6
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    • pp.821-825
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    • 2014
  • Steam gasification of sawdust char was performed in a thermobalance reactor at high temperature. Gasification temperature was changed from $850^{\circ}C$ to $1400^{\circ}C$ and steam partial pressure was 0.3, 0.5 and 0.7 atm. Three models of gas-solid reaction were applied to the reaction kinetics analysis and modified volumetric model was an appropriate model. Reaction control regime and diffusion control regime were distinct depending on the temperature. Apparent activation energy and pre-exponential factors for both of the regimes were evaluated and the effects of steam partial pressure were examined. $H_2$ concentration in the produced gas was two times higher than that of CO due to the gasification accompanying by the water gas shift reaction.