• Bulletin of the Korean Chemical Society
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• v.13 no.3
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• pp.259-265
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• 1992

Cyclic voltammetric behavior of symmetric (dimethyl, diheptyl, dioctyl, dibenzyl) and asymmetric (methyloctyl, methyldodecyl, methylbenzyl) viologens was investigated in homogeneous aqueous solution and sodium dodecyl sulfate (SDS) micellar media. In SDS-free 0.1 M NaCl solutions, the reduction potential is less negative as the chain length of alkyl substituent is longer. This is due to the stabilization of the reduced cationic radical and neutral form of viologen by adsorption on electrode surface. The adsorbed species show the "aging-effect". With the exceptions of methyldodecyl viologen and methylbenzyl viologen, the viologens show strong tendency of conproportionation reaction between viologen dications and neutral forms. In cases of methyldodecyl viologen and methylbenzyl viologen, the conproportionation reaction is kinetically disfavored, though it is thermodynamically favorable. SDS micelles dissolve the adsorbed species and the viologens exhibit two reversible redox processes in SDS micellar solutions. The reduction potentials of viologens in SDS micellar solutions depend little on the length of alkyl chain. Benzyl-substituted viologens are more easily reduced than the alkyl substituted viologens, presumably due to electron-withdrawing character of benzyl group.

• Transactions of the Korean Society of Mechanical Engineers B
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• v.35 no.1
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• pp.75-82
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• 2011

The numerical analysis of the reduction of reaction mechanism for the ignition of dimethyl ether (DME) was performed. On the basis of a detailed reaction mechanism involving 79 species and 351 reactions, the peak molar concentration and sensitivity analysis were conducted in a homogeneous reactor model. The reduced reaction mechanism involving 44 species and 166 reactions at the threshold value $7.5{\times}10^{-5}$ of the molar peak concentration was established by comparing the ignition delays the reduced mechanism with those the detailed mechanism. The predicted results of the reduced mechanism applied to the single-zone homogeneous charge compression ignition (HCCI) engine model were in agreement with those of the detailed mechanism. Therefore, this reduced mechanism can be used to accurately simulate the ignition and combustion process of compression ignition engine using DME fuel.

• Korean Chemical Engineering Research
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• v.52 no.3
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• pp.395-401
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• 2014

In this work, the reaction characteristics for the non-catalytic esterification of palm fatty acid distillate were analyzed. The esterification reaction was assumed as the pseudo homogeneous $2^{nd}$ order reversible reaction and 'reaction effectiveness factor (${\eta}$)' was used to take accounts into evaporation and reaction of water and methanol, which take place simultaneously in the liquid phase. The nonlinear programming was used to derive appropriate kinetic parameters, the reaction rate constant and mass transfer coefficient, minimizing the error between experimental data and the numerical values. Based on these parameters, the apparent activation energy was calculated to be 43.98 kJ/mol.

• Journal of Korea Foundry Society
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• v.33 no.3
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• pp.122-126
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• 2013

Recently, heat-resistant aluminum alloy has been re-focused as a downsizing materials for the internal combustion engines. Heat-resistant Al alloy development and many researches are still ongoing for the purpose of improving thermal stability, high-temperature mechanical strength and fatigue properties. The conventional principle of heat-resistant Al alloy is the precipitation of intermetallic compounds by adding a variety of elements is generally used to improve the mechanical properties of Al alloys. Heat resistant aluminum alloys have been produced by CrW homogeneous solid solution to overcome the limit of conventional heat resistant aluminum alloy. From EPMA, it is found that CrW homogeneous soild solution phases with the size of $50-100{\mu}m$ have been dispersed uniformly, and there is no reaction between aluminum and CrW alloy. In addition, after maintaining at high temperature of 573 K, there is no growth of hardening phase, nor desolved, but CrW still exists as a homogeneous solid solution.

• Bulletin of the Korean Chemical Society
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• v.8 no.1
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• pp.49-50
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• 1987

• Journal of Environmental Science International
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• v.17 no.2
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• pp.211-224
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• 2008

Characteristics of the esterification reaction between free fatty acid in rice bran oil and methanol was investigated in the presence of catalysts, such as PTS(p-toluene sulfonic acid), Amberlyst 15 dry and SCX(silica gel based strong cation exchange resin). While reaction temperature was kept constant at $65^{\circ}C$, initial feed content of free fatty acid was varied from 100% to 1% by addition of pure free fatty acid which was previously made from rice bran oil. Also, the effect of mole ratio of methanol to fatty acid on the final conversion was examined. When esterification of pure free fatty acid was catalyzed by several acids, final conversions were increased in order of Amberlyst 15 dry, SCX and PTS. Using PTS catalyst, initially the reaction proceeded in homogeneous 2nd oder reaction mechanism. However, phase of reaction mixture changed from homogeneous to heterogeneous along the reaction time and then reaction rate was retarded by mass transfer resistance of methanol. Final conversion of free fatty acid in reaction mixture was depended on initial feed content of free fatty acid, and had maximum value at 30% of initial feed free fatty acid content for all kinds of catalysts used. And the final conversion was increased with mole ratio of methanol by the improvement of reaction rate. When initial feed free fatty acid content below 10% and the reaction was catalyzed by PTS, concentration of free fatty acid in reaction mixture was increased in the middle of reaction time by hydrolysis of triglyceride in reaction mixture. Also, if silica gel was added into the reaction mixture which had initial feed free fatty acid content below 50%, final conversion was increased by the adsorption of moisture produced. The SCX catalyst made the esterification reaction of free fatty acid to progress like in case of PTS catalyst. However, when initial feed free fatty acid content below 10%, concentration of free fatty acid in. reaction mixture was decreased monotonically and not increased in the middle of reaction time on the contrary to the case of PTS. Thus, SCX catalyst accomplished more high value of final conversion than PTS catalyst for the initial feed fatty acid content range from 50% to 5% In case of initial feed free fatty acid content of 1% and mole ratio of methanol was 2, concentration of free fatty acid in reaction mixture increased over the initial feed free fatty acid content for all kind of catalysts used. Although SCX catalyst was added into reaction mixture which had 1% of initial feed fatty acid content, final conversion was hardly raised by mole ratio of methanol.

• Journal of the Korean Society for Heat Treatment
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• v.36 no.1
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• pp.33-39
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• 2023

In this study, the effect of mixing condition of raw material powders possessing various particle size and particle size distribution on thermite reaction efficiency was investigated. When fine raw powders are used, rather the reaction yield tends to decrease due to agglomeration. In contrast, coarse raw powders make deteriorate the contact area between raw material powders containing Al reducing agent. To ensure the optimal thermite reaction efficiency, it is required to optimize a mixture condition of raw material powders prior to thermite reaction. From the current experiment, the maximum thermite reaction efficiency is 77%, which came from Nb₂O₅ + NiO +Al mixtures with size distribution from 9.25 to 22.63 ㎛.

• Bulletin of the Korean Chemical Society
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• v.24 no.6
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• pp.797-801
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• 2003

One of the largest challenges for quantum chemistry today is to obtain accurate results for large complex molecular systems, and a variety of approaches have been proposed recently toward this goal. We have developed the ONIOM method, an onion skin-like multi-level method, combining different levels of quantum chemical methods as well as molecular mechanics method. We have been applying the method to many different large systems, including thermochemistry, homogeneous catalysis, stereoselectivity in organic synthesis, solution chemistry, fullerenes and nanochemistry, and biomolecular systems. The method has recently been combined with the polarizable continuum model (ONIOM-PCM), and was also extended for molecular dynamics simulation of solution (ONIOM-XS). In the present article the recent progress in various applications of ONIOM and other electronic structure methods to problems of homogeneous catalyses and nanochemistry is reviewed. Topics include 1. bond energies in large molecular systems, 2. organometallic reactions and homogeneous catalysis, 3. structure, reactivity and bond energies of large organic molecules including fullerenes and nanotubes, and 4. biomolecular structure and enzymatic reaction mechanisms.

• 한국연소학회:학술대회논문집
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• 2000.05a
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• pp.152-161
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• 2000

The catalytically stabilized combustion of $CH_4$-air mixture on platinum catalyst was investigated numerically using a 2-D boundary layer model with detailed heterogeneous and homogeneous chemistries. The actual surface site density of monolith coated with platinum was decided by the comparison with experimental data. The comparisons were made between results for cases where only heterogeneous chemistry was allowed and both heterogeneous and homogeneous chemistries were allowed. It was found that the homogeneous reaction in the monolith had little effect on the change of temperature profile, methane conversion rate and light off location. The contributions of each reactions related with CO formation were discussed on the surface. The effects of operation conditions such as equivalence ratio, temperature, velocity and pressure at the entrance were studied. In thermal combustor, CO and NOx was produced less than 1 ppm at the exit and the production of $N_{2}O$ was more dominant than that of NO.

• Journal of the Korean Ceramic Society
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• v.33 no.6
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• pp.693-699
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• 1996

YIG precursor powder was obtained by homogeneous precipitation in chloride salt solution by thermal decom-position of urea. It was found that ferric ions precipitated prior to yttrium ions. The precipitate was minute and spherical in shape. The precipitate formed consisted of the mixture of amorphous and ferric oxyhydroxide. Crystallization of YIG was proceeded by solid state reaction of intermediate YFeO3 and Fe2O3 in the temperature range of 85$0^{\circ}C$ to 140$0^{\circ}C$. Single phase of YIG was obtained by heat-treatment of the powder at 140$0^{\circ}C$ for 6 hrs in air. The powder calcined was molded into pellets and sintered in air. The maximum density of 4,92 g/cm3(95.1% of theoretical density) was obtainable for the pellet sintered at 145$0^{\circ}C$ using the powder calcined at 90$0^{\circ}C$.