• Applied Chemistry for Engineering
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• v.18 no.6
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• pp.643-649
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• 2007

Lipase-catalyzed esterification of structural butanol isomers and n-butyric acid was investigated in supercritical carbon dioxide. The experiments were performed in a high pressure cell for 5 hrs with a stirring rate of 150 rpm at 323.15 K and 130 bar. The Candida Antarctica lipase B (CALB) was used in whole system as a catalyst. The experimental results were analyzed by GC-FID using a INNOWax capillary column. The conversion yield and the tendency of the esterification in supercritical carbon dioxide were compared with estimated results by molecular dynamics simulation. Based on the Ping-Pong Bi-Bi mechanism with competitive inhibition, each step of the reaction was optimized; using this result the transition state was predicted. Conformational preference of isomers was also analyzed using molecular dynamics simulations. This kind of approach will be further extended to the prediction of enzyme-catalyzed reactions using computers.

• Journal of Soil and Groundwater Environment
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• v.12 no.5
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• pp.115-123
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• 2007

Immobilization of contaminants in subsurface environment is one of the major processes that determine their fate. Especially, immobilization by oxidative-coupling reactions, which is irreversible in the bio-chemical reactions and results in a significant reduction of toxicity, can be successfully applied for the remediation of contaminated soil and groundwater more effectively than conventional degradation. As a catalyst of this oxidative-coupling reaction, manganese oxide has many advantages in practical aspects as compared to microorganisms or oxidoreductive enzymes extracted from microorganisms, fungi, or plants. This paper is to present recent research achievements on the treatment mechanisms of various organic contaminants by manganese oxide. Especially, treatment methods of non-reactive organic compounds to Mn oxide are the main focus; i.e., application of reaction mediator, PAHs treatment method, combination with an appropriate pretreatment such as reduction using $Fe^0$, which suggests the potential of a wide range of engineering application. Concerning the natural carbon cycle processes, immobilization and stabilization by oxidative coupling reaction can be effectively applied as a environmentally-friend remediation method especially for aromatic contaminants which possess a high resistance to degradation.

• Applied Chemistry for Engineering
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• v.25 no.4
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• pp.418-424
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• 2014

The improved thermal stability and anti-oxidation properties of Lyocell fiber were studied based on flame retardant treatment by using NaCl/$H_3PO_4$ solution. The optimized conditions of flame retardant treatment were studied on various maxing ratio of NaCl and $H_3PO_4$ and the mechanism was proposed through experimental results of thermal stability anti-oxidation. The IPDT (integral procedural decomposition temperature), LOI (limited oxygen index) and $E_a$ (activation energy) increased 23, 30 and 24% respectively via flame retardant treatment. It is noted that thermal stability and anti-oxidation improved based on char and carbon layer formation by dehydrogenation and dissociation of C-C bond resulting the hindrance of oxygen and heat energy into polymer resin. The optimized conditions for efficient flame retardant property of Lyocell fiber were provided using NaCl/$H_3PO_4$ solution and the mechanism was also studied based on experimental results such as IDT (initial decomposition temperature), IPDT, LOI and $E_a$.

• Fire Science and Engineering
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• v.29 no.2
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• pp.25-32
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• 2015

The improved thermal stability and anti-oxidation properties of lyocell fiber were studied based on flame retardant treatment by using $Na_3PO_4$ solution. The optimized conditions of flame retardant treatment were studied on various concentrations of $Na_3PO_4$ and the mechanism was proposed through experimental results of thermal stability and anti-oxidation. The integral procedural decomposition temperature (IPDT), limiting oxygen index (LOI) and activation energy ($E_a$) increased 30, 160% respectively via flame retardant treatment. It is noted that thermal stability and anti-oxidation improved based on char and carbon layer formation by dehydrogenation and dissociation of C-C bond resulting the hindrance of oxygen and heat energy into polymer resin. The optimized conditions for efficient flame retardant property of lyocell fiber were provided using $Na_3PO_4$ solution and the mechanism was also studied based on experimental results such as initial decomposition temperature (IDT), IPDT, LOI and $E_a$.

• Journal of the Korea Academia-Industrial cooperation Society
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• v.16 no.12
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• pp.8679-8683
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• 2015

Using a surface modification technique, ion beam assisted deposition (IBAD) of Ti thin film it becomes possible to prepare an active ceramic surface to braze $Al_2O_3$-STS304 with conventional Ag-Cu eutectic composition filler metal. Researches on bonding formations at interfaces of ceramic joints were mainly related on the development of filler metals to ceramic, the process parameters, and clarifications of reaction products. From the results, the reactive brazing is a very convenient technique compared to the conventional Mn-Mo method. However melting point of reactive filler is still higher than that of Ag-Cu eutectic and it forms the brittle inter metallic compound. Recently several new approaches are introduced to overcome the main shortcomings of the reactive metal brazing in ceramic-metal, metal vapor vacuum arc ion source was introduced to implant the reactive element directly into the ceramics surface, and sputter deposition with sputter etching for the deposition of active material.

• Applied Chemistry for Engineering
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• v.23 no.3
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• pp.253-258
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• 2012

The effects of active sites and valence states were investigated over $Pd/TiO_2$ catalyst on simultaneous oxidation of $CH_4$ and CO. The Pd species (PdO) crystallite size increased with increasing Pd loadings, which results in enhancement of the activity of $CH_4$ oxidation. Different results from the activity of $CH_4$ and CO oxidation were shown to be dependent on the Pd valence state on the surface of the catalyst prepared through a thermal treatment. XRD and $H_2-TPR$ analysis confirmed that $Pd^{2+}$species was predominated in the calcination catalyst, while $Pd^0$species was predominated in the reduction catalyst. Additionally, it could be found that the valence state of Pd was a more important factor on the catalytic activity than that of factors as the surface area and pore volume. The reaction mechanism of $CH_4$ and CO followed by the valence state of Pd could be identified using FT-IR analysis.

• Korean Chemical Engineering Research
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• v.40 no.6
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• pp.664-668
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• 2002

In this work, the catalytic reduction mechanisms of NO over ACFs/copper prepared by electrolytic copper plating has been studied. It was found that copper content on carbon surfaces increased with increasing the plating time. However, a slightly gradual decrease of adsorption properties, such as, BET specific surface area, was observed in increasing the plating times within the range of well-developed micropore structures. As experimental results, nitric oxide was converted into the nitrogen and oxygen on ACFs and ACFs/copper catalyst surfaces at $500^{\circ}C$. Especially, the surfaces of ACFs/copper catalyst were found to scavenge the oxygen released by catalytic reduction of NO, which could be explained by the presence of another nitric oxide reduction mechanism between ACFs and ACFs/copper catalysts.

• Proceedings of the Korean Vacuum Society Conference
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• 2010.02a
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• pp.179-179
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• 2010

1차원 나노구조를 갖는 ZnO를 성장하기 위해 Laser ablation, Chemical vapor deposition (CVD), Chemical transport method, Molecular beam epitaxy, Sputtering 등의 다양한 형성법들이 이용되어지고 있다. 특히 대량생산과 경제성 측면에서 많은 장점을 가지고 있는 CVD를 이용한 ZnO 성장 및 응용 연구가 활발하게 수행되고 있다. 본 연구에서는 Thermal CVD를 이용하여 반응물질과 기판 사이의 거리, 기판온도, $O_2$/Zn 비율 등의 성장변수를 변화시켜 ZnO 나노구조를 성장하고 구조 및 광학적 특성을 연구하였다. Scanning electron microscope를 통한 구조 특성평가 결과 반응물질과 기판 사이의 거리가 13 cm 이하의 조건에서 ZnO 나노구조들은 나노판(Nanosheet)과 나노선(Nanowire)이 혼재하여 성장된 것을 보였다. 그리고 반응물질과 기판사이의 거리가 15 cm 이상부터 나노판이 없어지고 수직한 ZnO 나노막대(Nanorod)가 형성되었다. 상온 Photoluminescence 스펙트럼에서 반응물질과 기판사이의 거리가 5에서 15 cm로 증가할수록 결함 (Defect)에 의해 발생된 515 nm 파장의 최대세기 (Maximum intensity)가 10배 이상 감소한 반면, ZnO 나노구조에 의한 378 nm 파장의 NBE발광 (Near band edge emission)은 8배 이상 증가하였다. 이러한 구조 및 광학적 결과로부터, 질서 없이 성장된 것보다 수직 성장된 ZnO 나노구조의 결정질(Crystal quality)이 좋은 것을 확인하였다. 이를 바탕으로 성장변수에 따른 ZnO 나노구조의 형성 메커니즘을 Zn와 O 원자의 성장거동을 기반으로 한 모델을 이용하여 해석하였다.

• Journal of the Computational Structural Engineering Institute of Korea
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• v.32 no.3
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• pp.149-154
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• 2019

The structural system of domestic high-rise apartments can be divided into two parts; the core wall system, which is composed of walls concentrated in the center and the shear wall system, which comprises a great number of walls distributed in the plan. In order to analyze the lateral behavior of each system, buildings with typical domestic high-rise apartment plans were selected and nonlinear static analysis was performed to investigate the their collapse mechanism. From the force-displacement relation derived from nonlinear static analysis, response modification factor was evaluated by calculating the overstrengh and ductility factor, which are important in the seismic response. The ductility of core wall system is small, but as it is governed by wind load, its overstrength is greatly estimated, and its response modification factor is calculated by the overstrengh factor. Due to a large number of walls, shear wall system has a large ductility, making the response modification factor considerably large.

• Applied Chemistry for Engineering
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• v.33 no.1
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• pp.103-108
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• 2022

This research work reports the development of a Ruthenium/2,2,6,6-tetramethylpiperidine-N-oxyl (TEMPO)/nitrate catalyst system for the highly selective transformation of isosorbide (1,4:3,6-dianhydro-D-glucitol) to isosorbide-diketone (2,6-dioxabicyclo (3,3,0)octan-4,8-one). Isosorbide is a critical platform molecule for future manufacturing processes. TEMPO has been utilized to convert alcohols to carbonyl compounds for a long time. The optimal chemical reaction condition was found to be when using isosorbide (0.5 mmol) with supported Ru (10 mol%), TEMPO (5 mol%), and sodium nitrate (0.03 mmol) in the presence of acetic acid (3 ml) as a solvent at 50 ℃ and 1 atm oxygen pressure. This catalyst system demonstrated good selectivity (> 97%) and yield (87%) with respect to the desired product, in addition to a putative catalytic double oxidation mechanism.