• Title/Summary/Keyword: Kinetic mechanism

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Kinetic modeling analysis for the decolorization of dyes using a mixed adsorbent

  • Ravikumar, K.;Son, Young-A
    • Textile Coloration and Finishing
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    • v.18 no.5 s.90
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    • pp.42-47
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    • 2006
  • A mixed adsorbent prepared by pyrolysing a mixture of carbon and flyash in 1:1 ratio was tested for its deceleration ability for three different classes of dyes namely, Astrazone Blue FRR(Basic Blue 69), Teflon flue ANL(Acid Blue 125) and Verofix Red(Reactive Red 3GL). Kinetic analyses were carried out at the optimum conditions obtained by the author in the previous studies. The data was fitted with three kinetic model equations. The results showed that the dye uptake mechanism followed the second-order rate expression.

Analysis of Flame Generated Turbulence for a Turbulent Premixed Flame with Zone Conditional Averaging (영역분할조건평균법을 이용한 난류예혼합화염내 난류운동에너지 생성에 관한 연구)

  • Im, Yong Hoon;Huh, Kang Yul
    • Journal of the Korean Society of Combustion
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    • v.8 no.4
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    • pp.15-23
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    • 2003
  • The zone conditional two-fluid equations are derived and validated against DNS database of a premixed turbulent flame. The conditional statistics of major flow variables are investigated to understand the mechanism of flame generated turbulence. The flow field in burned zone shows substantially increased turbulent kinetic energy, which is highly anisotropic due to reaction kinematics across thin f1amelets. The transverse component may be larger than the axial component for a distributed pdf of the flamelet orientation angle, while the opposite occurs due to redistribution of turbulent kinetic energy and flamelet orientation normal to the flow at the end of a flame brush. The major source or sink terms of turbulent kinetic energy are the interfacial transfer by the mean reaction rate and the work terms by fluctuating pressure and velocity on a flame surface. Ad hoc modeling of some interfacial terms may be required for further application of the two-fluid model in turbulent combustion simulations.

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Kinetic Study of Milk Gellation by the Electrical Resistance Measurement

  • LEE Keun Tai
    • Korean Journal of Fisheries and Aquatic Sciences
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    • v.22 no.6
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    • pp.391-396
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    • 1990
  • Changes in electric resistance was measured to carry out the kinetic analysis of milk gellation upon addition of rennet. Using pasteurized milk and commercial rennin, kinetic properties were investigated during milk gellation in terms of initial hydrolysis and coagulation steps. Specially designed reactor with two platinum electrodes was used throughout the experiments. As a function of either milk concentrations or reaction temperatures, gel time exhibited directly proportional relations: on the contrary, gel time was inversely pro-portional to enzyme concentration. Activation energies for enzymatic degradation and cogulation were 16.3, 4.6 and 34, 8.6 Kcal/mol, repectively. This simple analytical method proved to be very effective to characterize the mechanism of milk gellation. Moreover, unlike other methods, this method reguired simple apparatus and short time of analysis.

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Suicidal Inhibition Kinetics of MAO by Tranylcypromine Enantiomers (Tranylcypromine 광학이성질체에 의한 MAO 자살억제의 반응속도론)

  • Kang, Gun-Il;Choi, Myung-Hee
    • YAKHAK HOEJI
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    • v.33 no.1
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    • pp.64-71
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    • 1989
  • Since time-dependent inactivation of MAO was found to be complete in a few minutes when high concentration ratios of tranylcypromine to MAO were used, a method to obtain kinetic parameters was sought suitable to the conditions in which concentrations of tranylcypromine analogs did not exceed that of MAO. For the purpose, kinetic equations were derived and the method applied to the kinetic studies of tranylcypromine enantiomers. It was found that (E)-(+)-2-phenylcyclopropylamine inhibited MAO by the mechanism following bimolecular reaction scheme with $\tilde{K}_i$ of $2.0\;{\times}\;10^6M^{-1}min^{-1}$. Whereas, MAO-inhibitory pattern of the (-)-enantiomer was to be interpreted by suicide inhibition scheme and measured $k_{in}\;and\;\tilde{K}'$ were $0.457\;min^{-1}\;and\;$5.4{\mu}M$, respectively.

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Theoretical and Experimental Studies on the Kinetics of Cation Redistribution Processes in Complex Oxides

  • Shi, Jianmin;Becker, Klaus-Dieter
    • Journal of the Korean Ceramic Society
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    • v.47 no.1
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    • pp.39-46
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    • 2010
  • The kinetics of cation reequilibration have been studied theoretically and experimentally in complex oxides after an external perturbation of equilibrium by temperature jumps. A general kinetic model for cation redistribution amongst non-equivalent sites in complex oxides is derived based on a local homogeneous point defect mechanism involving cation vacancies. Temperature-jump optical relaxation spectroscopy has been established to investigate cation kinetic processes in spinels and olivines. The kinetic model satisfactorily describes the experimental absorbance relaxation kinetics in cobalt containing olivines and in nickel containing spinels. It is found that the kinetics of cation redistribution in complex oxides shows a strong temperature- and composition-dependence. Activation energies for cation redistribution in Co-Mg olivines are found to range between 200 and 220 kJ/mol whereas an energy barrier of about 230 kJ/mol is observed in the case of nickel gallate spinel.

Kinetic and Equilibrium Study of Lead (II) Removal by Functionalized Multiwalled Carbon Nanotubes with Isatin Derivative from Aqueous Solutions

  • Tahermansouri, Hasan;Beheshti, Marzieh
    • Bulletin of the Korean Chemical Society
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    • v.34 no.11
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    • pp.3391-3398
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    • 2013
  • The carboxylated multiwall carbon nanotubes (MWCNT-COOH) and functionalized with isatin derivative (MWCNT-isatin) have been used as efficient adsorbents for the removal of lead (Pb) from aqueous solutions. The influence of variables including pH, concentration of the lead, amount of adsorbents and contact time was investigated by the batch method. The adsorption of the lead ions from aqueous solution by modified MWCNTs was studied kinetically using different kinetic models. The kinetic data were fitted with pseudo-first-order, pseudo-second-order, and intra-particle diffusion models. The sorption process with MWCNT-COOH and MWCNT-isatin was well described by pseudo-second-order and pseudo-first-order kinetics, respectively which it was agreed well with the experimental data. Also, it involved the particle-diffusion mechanism. The values of regression coefficient of various adsorption isotherm models like Langmuir, Freundlich and Tempkin to obtain the characteristic parameters of each model have been carried out. The Langmuir isotherm was found to best represent the measured sorption data for both adsorbent.

The Studies on Substituent and Kinetic Solvent Isotope Effect in Solvolyses of Phenyl Chloroformates

  • 구인선;이지선;양기열;강금덕;이익춘
    • Bulletin of the Korean Chemical Society
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    • v.20 no.5
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    • pp.573-576
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    • 1999
  • The rate constants and kinetic solvent isotope effects (KSIE, KMeOH/kMeOD) for solvolyses of para-substituted phenylchloroformates in CH3OH, CH3OD, H2O, D2O, 50% D2O-CH3OD were determined at 15.0 and 25.0℃ using conductometric method. Kinetic solvent isotope effects for the solvolyses of para-substituted phenyl chloroformates were 2.39-2.51, 2.21-2.28, and 1.67-1.69 for methanol, 50% aqueous methanol, and water, respectively. The slopes of Hammett plot for solvolysis of para-substituted phenyl chloroformates in methanol, 50% aqueous methanol, and water were 1.49, 1.17 and 0.89, respectively. The Hammett type plot of KSIE, log (KSIE) versus p, can be a useful mechanistic tool for solvolytic reactions. The slopes of such straight lines for para-substituted phenyl chloroformates are almost zero in methanol, 50% aqueous methanol, and water. It was shown that the reaction proceeds via an associative SN2 and/or general base catalysis addition-elimination (SAN) mechanism based on activation parameters, Hammett p values, and slopes of Hammett type plot of KS-IE.

MODELLING STUDY OF THE EFFECT OF CHEMICAL ADDITIVES ON SOOT PRECURSORS REDUCTION

  • Park, J.K.
    • International Journal of Automotive Technology
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    • v.7 no.4
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    • pp.501-508
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    • 2006
  • The effect of chemical additives, such as dimethyl ether(DME), ethanol, carbon disulfide on the soot formation were examined numerically. ill this study, the Frenklach soot mechanism was used as a base mechanism to predict the soot formation in the ethane flame. The combination of Westbrook's DME mechanism, Marinov's ethanol mechanism, and chemical kinetic mechanism for hydrogen sulfide and carbon disulfide flames was made with the base mechanism because the DME, ethanol, $CS_2$ additives are added into the ethane fuel. CHEMKIN code was used as a numerical analysis software to simulate the effect of chemical additives on reduction of the polycyclic aromatic hydrocarbons(PAH's) which are soot precursors. From the numerical results it is observed that addition of DME, ethanol and $CS_2$ into ethane fuel can reduce PAH species significantly. That means theses additives can reduce soot formation significantly. Results also strongly suggest suppression of soot formation by these additives to be mainly a chemical effect. Hand OH radicals may be the key species to the reduction of PAH species for additives.

Kinetic Study on SNAr Reaction of 1-Y-Substituted-phenoxy-2,4-dinitrobenzenes with Hydroxide Ion: Effect of Substituent Y on Reactivity and Reaction Mechanism

  • Kang, Tae-Ah;Cho, Hyo-Jin;Um, Ik-Hwan
    • Bulletin of the Korean Chemical Society
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    • v.35 no.7
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    • pp.2135-2138
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    • 2014
  • A kinetic study is reported for the SNAr reaction of 1-Y-substituted-phenoxy-2,4-dinitrobenzenes (1a-1h) with OH- in 80 mol % $H_2O$/20 mol % DMSO at $25.0{\pm}0.1^{\circ}C$. The second-order rate constant ($k_{OH^-}$) increases as the substituent Y in the leaving group changes from an electron-donating group (EDG) to an electronwithdrawing group (EWG). The Br${\o}$nsted-type plot for the reactions of 1a-1h is linear with ${\beta}_{lg}$ = -0.16, indicating that the reactivity of substrates 1a-1h is little affected by the leaving-group basicity. A linear Br${\o}$nsted-type plot with ${\beta}_{lg}=-0.3{\pm}0.1$ is typical for reactions reported previously to proceed through a stepwise mechanism in which formation of a Meisenheimer complex is the rate-determining step (RDS). The Hammett plot correlated with ${\sigma}_Y{^{\circ}}$ constants results in a much better correlation than that correlated with ${\sigma}_Y{^-}$constants, implyng that no negative charge is developing on the O atom of the leaving group (or expulsion of the leaving group is not advanced at all in the TS). This excludes a possibility that the $S_NAr$ reaction of 1a-1h with $OH^-$ proceeds through a concerted mechanism or via a stepwise pathway with expulsion of the leaving group being the RDS. Thus, the current reactions have been concluded to proceed through a stepwise mechanism in which expulsion of the leaving group occurs rapidly after the RDS.

Utilization of Cotton Stalks-Biomass Waste in the Production of Carbon Adsorbents by KOH Activation for Removal of Dye-Contaminated Water

  • Fathy, Nady A.;Girgis, Badie S.;Khalil, Lila B.;Farah, Joseph Y.
    • Carbon letters
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    • v.11 no.3
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    • pp.224-234
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    • 2010
  • Four activated carbons were produced by two-stage process as followings; semi-carbonization of indigenous biomass waste, i.e. cotton stalks, followed by chemical activation with KOH under various activation temperatures and chemical ratios of KOH to semi-carbonized cotton stalks (CCS). The surface area, total pore volume and average pore diameter were evaluated by $N_2$-adsorption at 77 K. The surface morphology and oxygen functional groups were determined by SEM and FTIR, respectively. Batch equilibrium and kinetic studies were carried out by using a basic dye, methylene blue as a probe molecule to evaluate the adsorption capacity and mechanism over the produced carbons. The obtained activated carbon (CCS-1K800) exhibited highly microporous structure with high surface area of 950 $m^2/g$, total pore volume of 0.423 $cm^3/g$ and average pore diameter of 17.8 ${\AA}$. The isotherm data fitted well to the Langmuir isotherm with monolayer adsorption capacity of 222 mg/g for CCS-1K800. The kinetic data obtained at different concentrations were analyzed using a pseudo-first-order, pseudo-second-order and intraparticle diffusion equations. The pseudo-second-order model fitted better for kinetic removal of MB dye. The results indicate that such laboratory carbons could be employed as low cost alternative to commercial carbons in wastewater treatment.