• Korean Chemical Engineering Research
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• v.56 no.3
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• pp.404-409
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• 2018

The integration of organic and inorganic building blocks into hierarchical porous architectures makes potentially desirable catalytic material in many catalytic applications due to their combination of dissimilar components and well-constructed reactant transport path. In this study, we prepared the hierarchical porous $Co_3O_4@graphene$ 3D gel by hydrothermal method to achieve high catalytic performance in PET glycolysis reaction. Obtained $Co_3O_4@graphene$ 3D gel consisted of interconnected networks of $Co_3O_4$ and graphene sheets, providing large number of accessible active sites for efficient catalytic reaction. These structural merits from synergistic effect of $Co_3O_4$ and graphene gave a high performance in the PET degradation reaction giving high conversion yield of BHET, fast degradation rate of PET, and remarkable stability.

• Transactions of the Korean Society of Automotive Engineers
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• v.7 no.5
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• pp.107-120
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• 1999

Catalytic converters are the most fascinating and complicated chemical reactors. They are most often operated in the transient state with respect to composition, flow rate, temperature, etc. The mathermatical model developed in this work accounts for simultaneous heat and mass transfer, chemical reaction, and multi dimensional flow characteristics to analyze the light-off performance of monolithic catalytic converter with comparable mass flow rate. To validate the mathematical model, comparison between experimental and numerical results has been performed. The numerical results show a good agreement with experimental data. It is forund that inflow rate shows major effect on the characteristics of termal response of catalytic converter.

• Clean Technology
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• v.19 no.1
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• pp.65-72
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• 2013

In this study, we investigated the activity of Pd and Cu co-incorporated on mesoporous silica support such as MCM-41 and SBA-15 for catalytic nitrate reduction in water. In pure hydrogen flow, nitrate concentration was gradually decreased with the reaction time, but nitrogen selectivity was too low due to very high pH of reaction medium after the reaction. In order to acquire high nitrogen selectivity, we utilized carbon dioxide as a pH buffer, which resulted in higher nitrogen selectivity (about 40%). For the above reaction conditions, Pd-Cu/MCM-41 showed better performance than Pd-Cu/SBA-15. The physicochemical properties of both catalysts were investigated to figure out the relationship between the characteristics of the catalysts and the catalytic activity on the catalytic nitrate reduction by $N_2$ adsoprtion-desorption, X-ray diffraction (XRD), $H_2$-temperature programmed reduction, X-ray photoelectron spectroscopy (XPS) techniques.

• Transactions of the Korean hydrogen and new energy society
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• v.22 no.6
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• pp.905-912
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• 2011

In this study, the novel concept catalytic reactor was designed for water-gas shift reaction (WGS) under high pressure. The novel concept catalytic reactor was composed of an autoclave, the catalyst, and liquid water. Cu-ZnO/$Al_2O_3$ as the low temperature shift catalyst was used for WGS reaction. WGS in the novel concept catalytic reactor was carried out at the ranges of 150~$250^{\circ}C$ and 30~50 atm. The liquid water was filled at the bottom of the autoclave catalytic reactor and the catalyst of pellet type was located at the gas-liquid water interface. It was concluded that WGS reaction occurred over the surface of catalysts partially wetted with liquid water. The conversion of CO for WGS was also controlled with changing content of Cu and ZnO used as the catalytic active components. Meanwhile, the catalyst of honey comb type coated with Cu-ZnO/$Al_2O_3$ was used in order to increase the contact area between wet-surface of catalyst and the reactants of gas phase. It was confirmed from these experiments that $H_2$/CO ratio of the simulated coal gas increased from 0.5 to 0.8 by WGS at gas-liquid water interface over the wet surface of honey comb type catalyst at $250^{\circ}C$ and 50 atm.

• Journal of the Korean Applied Science and Technology
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• v.7 no.1
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• pp.71-76
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• 1990

Transesterification reactions (methyl methacrylate with monoethanolamine, methyl methacrylate with n-butyl alcohol, dimethylphthalate with ethylene glycol, dimethyl phthalate with monoethanolamine) were kinetically investigated in the presense of various metal acetate catalysts at $110^{\circ}C$. The amount of reactants was measured by gas and liquid chromatography, and the reaction rates also measured from the amount of reaction products and reactants upon each catalyst. The transesterification reactions were carried out under the first order conditions respect to the concentration of reactants, respectively. The overall reaction order was 2nd, Maximum reaction rates were appeared at the range of 1.4 to 1.6 in electronegativity of metal ions and maximum catalytic activities were obserbed at the range of 1.5 to 1,8 in instability constant of metal acetates.

• Transactions of the Korean Society of Mechanical Engineers B
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• v.23 no.7
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• pp.841-855
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• 1999

In the present work, the effect of a flow maldistribution on the thermal and conversion response of 8 monolith catalytic converter is Investigated. To achieve this goal, a combined chemical reaction and multi-dimensional fluid dynamic mathematical model has been developed. The present results show that flow uniformity within the monolith brick has 8 great impact on light-off performance of the catalytic converter. In the case of lower flow uniformity, large portions of the monolith remain cold due to locally concentrated high velocities and CO, HC are unconverted during warm-up period, which loads to retardation of light-off. It has been also found that the heat-up pattern of the monolith ill similar to the flow distribution profile, In the early stage of the reaction. It may be concluded that flow maldistribution can cause a significant retardation of the light-off and hence can eventually worsen tho conversion efficiency of automotive catalytic converter.

• Bulletin of the Korean Chemical Society
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• v.22 no.7
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• pp.669-672
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• 2001

Pseudo-first-order rate constants have been measured spectrophotometrically for the title reactions. The plot of kobs vs the concentration of alkali metal ethoxides is linear for the reactions performed in the presence of complexing age nt, 18-crown-6 ether, but curved upwardly for the corresponding reactions performed in the absence of the complexing agent, indicating that the alkali metal ions studied in this study behave as a catalyst. The catalytic effect was found to increase in the order Li+ << K+ ${\leq}$ Na+. Second-order rate constants were determined for the reactions with dissociated free ethoxide (kEtO-) and with ion paired alkali metal ethoxides (kEtO-M+ ) from ion pairing treatments. The magnitude of catalytic effect (kEtO-M+/kEtO-) was found to be 2.3, 9.5 and 8.7 for the reaction of 8-(5-nitroquinolyl) 2-furoate, while 1.4, 3.6 and 4.2 for that of 4-nitrophenyl 2-furoate, indicating that the catalytic effect is larger in the reaction of the former substrate than in that of the latter one. The larger catalytic effect was attributed to two possible complexing sites with alkali metal ions in the former substrate.

• 한국전산유체공학회:학술대회논문집
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• 1995.10a
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• pp.76-81
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• 1995

A numerical procedure for the analysis of transient behavior in a monolithic catalytic converter is presented. The thermal behavior of a monolithic catalytic converter is fully coupled with mass transfer and exothermic reaction between exhaust gases and the catalytic converter. In the present study, all these processes are solved simultaneously. The heat transfer process is approximated by combinging one dimensional convection and conduction and the chemical reaction is also simply modelled by using the concepts of reaction rate and reaction heat. All the partial diffenrential equations for the heat transfer, mass transfer and chemical reactions are appximated by using finite volume method. Resulting algebraic equations are solved using the Newton's method. To see the workability of present numerical method, two well known problems, say step increase and step decrease in the gas inlet temperature, have been calculated. Comparion of present solutions with previous solutions shows a good agreement.

• Bulletin of the Korean Chemical Society
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• v.29 no.11
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• pp.2270-2272
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• 2008

• Bulletin of the Korean Chemical Society
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• v.23 no.6
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• pp.837-845
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• 2002

Based on ab initio calculations at the MP2(FULL)/6-31+G**//RHF/6-31G** level, we compare the energetic and mechanistic features of a model reaction for catalytic action of Δ?-3-ketosteroid isomerase (KSL,E.C.5.3,3.1) with those of a corresponding nonenzymatic reaction in aqueous solution. The results show that the two catalytic acid residues,Tyr14 and Asp99, can lower the free energy of activation by 8.6kcal/mol, which is in good agreement with the experimentally predicted~9 kcal/mol,contribution of electrophilic catalyses to the whole enzymatic rate enhancement. The dienolate intermediate formed by proton transfer from the substrate carbon acid to the catalytic base residue (Asp38) ins predicted to be stabilized by 12.0 kcal/mol in the enzymatic reaction, making its formation thermodynamically favorable. It has been argued that enzymes catalyzing the reactions of carbon acids should resolve the thermodynamic problem of stabilizing the enolate intermediate as well as the kinetic porblem of lowering the free energy of activation for porton abstraction. We find that KSI can successfully overcome the thermodynamic difficulty ingerent in the nonenzymatic reaction through the electrophilic catalyses of the two acid residues. Owing to the stabilization of dienolate intermediate, the reketonization step could influence the overall reaction rate more significantly in the KSI- catalyzed reaction than in the nonenzymatic reaction, further supporting the previous experimental findings. However, the electrophilic catalyses alone cannot account for the whole catalygic capability (12-13 kcal/mol), confiming the earlier experimental implications for the invement of additional catalytic components. The present computational study indicates clearly how catalytic residues of KSI resolve the fundamental problems associated with the entropic penalty for forming the rate-limiting transition state and its destabilization in the bulk solvation environment.