• The Korean Journal of Food And Nutrition
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• v.8 no.3
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• pp.172-183
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• 1995

The nucleophilic substitution reactions of p-substituted benzyl bromide with l-substituted N,N-dimethylanilines in methanol and acetonitrile binary solvent mixture which is known to an isodielectric solvent system kinetically and the results are as follows. The positive charge is developed on the reaction center of the substrate and it means that the bond cleavage is preceded more than bond formation in the transition state on the analogy of Hammett px values. The bond form3tlon is not progressed in the case of electron donating substituent of substrate. However, the bond formation is much developed in the case of electron withdrawing substituent of substrate on the analogy of Hammett py values. The nucleophilic attacking ability is shown a highest at 80% (V/V) methanol content and the bond formation is well progressed at the same methanol composition on the result of a cross interaction coefficient, pxy. The result of transition state structure that is applicated to the potential energy surface model is in accord with the result that Is applicated to the reaction susceptibilities. The reaction Is subject to the polarity-polarizability term more than the hydrogen bond donor acidity term by application to the solvatochromic parameter eouation.

• Applied Chemistry for Engineering
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• v.5 no.6
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• pp.967-974
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• 1994

We studied the cure kinetics of the DGEBA(Diglycidyl ether of bisphenol A)/MDA(4, 4' -methylene dianiline)/MN(Malononitrile)/HQ(Hydroquinone) system by Barrett method and Integral method with dynamic runs of differential scanning calorimetry(DSC). Kinetic parameters such as activation energy and pre-exponential factor were obtained and reaction order was estimated roughly supposing that present system was adjusted to nth order reaction. The MN(Malononitrile) was introduced as a chain extender and HQ(Hydroquinone) as a reactive accelerator or catalyst.

• Carbon letters
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• v.12 no.4
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• pp.229-235
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• 2011

Isotactic polyacrylonitrile (PAN) with triad isotacticity of 0.53, which was determined by $^{13}C$ NMR, using dialkylmagnesium as an initiator, was successfully synthesized. Isothermal treatment of iso-PAN was conducted in air at 200, 220, 250 and $280^{\circ}C$. Structural evolutions and chemical changes were studied with Fourier transformation infrared and wide-angle X-ray diffraction during stabilization. A new parameter $CNF={I_{2240cm}}^{-1}/ ({I_{1595cm}}^{-1}+f^*{I_{1595cm}}^{-1})$ was defined to evaluate residual nitrile groups. Crystallinity and crystal size were calculated with X-ray diffraction dates. The results indicated that the nitrile groups had partly converted into a ladder structure as stabilization proceeded. The rate of reaction increased with treatment temperature; crystallinity and crystal size decreased proportionally to pyrolysis temperature. The iso-conversional method coupled with the Kissinger and Flynn-Wall-Ozawa methods were used to determine kinetic parameters via differential scanning calorimetry analysis with different heating rates. The active energy of the reaction was 171.1 and 169.1 kJ/mol, calculated with the two methods respectively and implied the sensitivity of the reaction with temperature.

• Korean Chemical Engineering Research
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• v.47 no.4
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• pp.410-417
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• 2009

Carbon dioxide was absorbed into GMA solution in a stirred flat cell using mesoporous catalyst Imidazole-CP-MS41, which was synthesized by CP-MCM41 with imidazole. Experiments were carried out at a batch-type absorber with different conditions, varying reaction temperature, concentration of GMA, solvent but maintaining 50 rpm of agitation speed and 2 g of catalyst. Absorption rate of $CO_2$ was used to obtain the kinetics based on the film theory using zwitterion mechanism with 2 elementary reaction and the kinetics were correlated with the solubility parameter of the solvents.

• Journal of Korea Water Resources Association
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• v.33 no.1
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• pp.73-85
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• 2000

A water quality model was developed for small stream at a upland agricultural watershed. A control volume method was employed to digest the severe variability of stream shape, water quality and discharge at small streams. We estimated optimum reaction coefficients and model structure using a random number generation technique. The index of agreement and coefficient of efficiency were introduced for the model calibration criterion. As the result, the reliability of model parameter estimation could be improved. The applicability of model was tested by a set of sampling results at Yongduckchun in Kimhae. The variability of water quality reaction coefficient was explored through the observed data and using the developed model. model.

• Applied Chemistry for Engineering
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• v.21 no.5
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• pp.586-589
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• 2010

In present work, oxidative addition reaction of 1,3-cycleohexandion (1,3-CHD) with ethyl vinyl ether (EVE) was attempted utilizing $Ag_2CO_3$/celite (SC) reagent. In order to optimize reaction conditions, we surveyed several solvents for the production of dihydrofuran with the (SC) system. The yield of the acetonitrile (AN), dimethyl sulfoxide (DMSO), benzene (BZ), and heptane (HT) are given 78, 40, 15, and 10%, respectively. Therefore, we studied the solvent effects on yields by using PM3 and ZINDO/1 parameter of semi-empirical method of HyperChem7.0 molecular modeling program.

• Journal of the Semiconductor & Display Technology
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• v.19 no.1
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• pp.29-35
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• 2020

The cure characteristics of three kinds of naphthalene type epoxy resins(NET-OH, NET-MA, NET-Epoxy) with a 2-methyl imidazole(2MI) catalyst were investigated for preparing sheet epoxy molding compound(SEMC) for wafer level package(WLP) applications, comparing with diglycidyl ether of bisphenol-A(DGEBA) and 1,6-naphthalenediol diglycidyl ether(NE-16) epoxy resin. The cure kinetics of these systems were analyzed by differential scanning calorimetry with an isothermal approach, and the kinetic parameters of all systems were reported in generalized kinetic equations with diffusion effects. The NET-OH epoxy resin represented an n-th order cure mechanism as like NE-16 and DGEBA epoxy resins, however, the NET-MA and NET-Epoxy resins showed an autocatalytic cure mechanism. The NET-OH and NET-Epoxy resins showed higher cure conversion rates than DGEBA and NE-16 epoxy resins, however, the lowest cure conversion rates can be seen in the NET-MA epoxy resin. Although the NETEpoxy and NET-MA epoxy resins represented higher cure reaction conversions comparing with DGEBA and NE-16 resins, the NET-OH showed the lowest cure reaction conversions. It can be figured out by kinetic parameter analysis that the lowest cure conversion rates of the NET-MA epoxy resin are caused by lower collision frequency factor, and the lowest cure reaction conversions of the NET-OH are due to the earlier network structures formation according to lowest critical cure conversion.

• Journal of Korean Society of Water and Wastewater
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• v.11 no.4
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• pp.126-132
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• 1997

Trihalomethanes (THMs) are formed during the chlorination of waters containing precusors compounds, most commonly humic substances, changes in pH, TOC, temperature, precusor source and concentration chlorine dosage, bromide level and reaction time directly influence trihalomethane formation potential (THMFP) and kinetics. A standard THMFP experiment was conducted for each water under the following conditions ; $20^{\circ}C$, pH 7.4, reaction time of 48hr, TOC 5.7mgC/L. A series of kinetic experiments was conducted for each water to provide THM formation under varying conditions of reaction time, pH, temperature and TOC, chlorine dosage. The resultant mutiple parameter powre function predicts a THM which allows direct calculation of THM, is $[THM]=0.00039(pH-2.81)[TOC][Cl_2]^{0.321}\;t^{0.266}\;T^{0.286}$ Characteristics of raw water in advanced drinking water treatment pilot plant were, TOC levels ran from 4.42~6.84mgC/L, pH 7.2~7.8, temperature $7.0{\sim}18.4^{\circ}C$, UV-254 absorbance $0.057{\sim}0.85cm^{-1}$, THM levels ranged from 0.031~0.049mgC/L.

• Korean Chemical Engineering Research
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• v.59 no.1
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• pp.138-151
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• 2021

The effect of a reactant ratio on the growth of a buoyancy-driven instability in an irreversible A+B→C reaction system is analyzed theoretically and numerically. Taking a non-stoichiometric reactant ratio into account, new linear stability equations are derived without the quasi-steady state assumption (QSSA) and solved analytically. It is found that the main parameters to explain the present system are the Damköhler number, the dimensionless density difference of chemical species and the ratio of reactants. The present initial grow rate analysis without QSSA shows that the system is initially unconditionally stable regardless of the parameter values; however, the previous initial growth rate analysis based on the QSSA predicted the system is unstable if the system is physically unstable. For time evolving cases, the present growth rates obtained from the spectral analysis and pseudo-spectral method support each other, but quite differently from that obtained under the conventional QSSA. Adopting the result of the linear stability analysis as an initial condition, fully nonlinear direct numerical simulations are conducted. Both the linear analysis and the nonlinear simulation show that the reactant ratio plays an important role in the onset and the growth of the instability motion.

• Proceedings of the Membrane Society of Korea Conference
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• 1996.10a
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• pp.92-93
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• 1996

PVA membrane was widely used in the dehydration pervaporation process. PVA membrane showed remakable selectivity towed water and an excellent film-forming polymer, with a good resistance to orgamic solvents but it has poor stability in aqueous mixtures. Generally the PVA is manufactured by the hydrolysis reaction from poly vinyl acetate(PVAc) and so the degree of PVA hydrolysis is a major parameter for properties of PVA membrane such as the crystallinity and polarity.