• 한국신재생에너지학회:학술대회논문집
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• 한국신재생에너지학회 2008년도 춘계학술대회 논문집
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• pp.514-517
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• 2008

Water gas shift(WGS) is an important step in fuel process for fuel cells, and improperness of commercial WGS catalysts for use in fuel cell systems has prompted numerous researches on noble metal catalysts. A selected noble metal catalyst for water gas shift reaction(WGS) was prepared with various metal loadings. The prepared catalysts were tested under two feeding conditions. At moderate residence time, carbon monoxide conversion was much higher on the noble metal catalysts as compared to commercial high-temperature shift catalyst. Effects of metal loading were examined by activity tests at short residence time. Higher metal loading effected higher reaction rate. The kinetic data was fitted to simple reaction equations and effectiveness factor was estimated. The results suggest the necessity of a structural design for the highly active noble metal catalysts.

• Macromolecular Research
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• 제13권3호
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• pp.180-186
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• 2005

A novel bifunctional dye composed of spirobenzopyran and a cinnamoyl moiety was prepared and its photochromic behavior under the illumination of monochromatic UV light was investigated. This colorless bifunctional dye exhibits typical photochromism in both the film and in solution, through the structural and geometrical transformation from spirobenzopyran to merocyanine accompanied by a photocrosslinking reaction between the cinnamoyl moieties. Two kinds of photochemical reaction were selectively achieved by irradiation with monochromatic UV light at wavelengths of 275 and 365 nm, respectively. The effect of the selective photochemical reaction on the photochromism of the dye and its decaying behavior was investigated.

• 한국공간구조학회논문집
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• 제16권2호
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• pp.69-77
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• 2016

The purpose of this study is to present a method that can estimate the height of reaction facilities for large structural experiment through load flow as primary design procedure. The characteristic of the load transmission according to the type of experiment was analyzed to obtain tensile and compressive forces occurring on the reaction facilities. Strong walls that are affected by the bending moment is applied the post-tensioning method, and the strong floor under the control of the tension and compression is designed in accordance with the load flow. And the optimum cross-section of the reaction facilities was obtained by comparing the stresses of the tensile stress and crack the concrete. Through validating elastic analysis, the design results were satisfied a given design conditions.

• Bulletin of the Korean Chemical Society
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• 제30권4호
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• pp.787-790
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• 2009

The predictions of the radical reaction sites for phenol, 2-, 3- and 4-chlorophenols (CPs) and 4-chloronitrobenzene (CNB) were studied by atomic charge distribution calculations. The atomic charge distributions on each atom of these molecules were obtained using the CHelpG and MK (Merz-Kollman/Singh) methods with the optimized structural parameters determined by DFT calculation at the level of BLYP/6-311++G(d,p). By comparing the experimentally obtained hydroxyl addition site(s) and the calculated atomic charges on carbon atoms of phenol and CPs, we found that hydroxyl substitution by oxidation reaction mainly occurred to the carbon(s) with high atomic charges. With these results, we were easily able to predict the position(s) of the ·OH reaction site(s) of phenol, CPs and CNB through atomic charge distribution calculations.

• Bulletin of the Korean Chemical Society
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• 제31권12호
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• pp.3675-3678
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• 2010

In-situ X-ray absorption spectroscopy (XAS) was used to elucidate the structural variation of $\alpha-MoO_3$ electrode upon discharge/charge reaction in a lithium ion battery. According to the XAS analysis, hexavalent Mo atoms in $\alpha-MoO_3$ framework are reduced as the amount of intercalated lithium ions increases. As lithium de-intercalation proceeds, most of pre-edge peaks are restored again. However, according to the Fourier transforms of the extended X-ray absorption fine structure (EXAFS) spectra, lithium de-intercalation reaction is partially irreversible upon the charge reaction, which is one of the main reasons why the capacity of $\alpha-MoO_3$ electrode decreases upon successive discharge/charge cycles.

• 대한화학회지
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• 제57권6호
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• pp.697-702
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• 2013

The addition reaction of cyclopropane with $MgH_2$ has been investigated using the B3LYP density functional method employing several split-valence basis sets. Both along the and perpendicular to the cyclopropane ring approach has been reported. It is shown that the reaction proceeds via a four-centered transition state. Calculations at higher levels of theory were also performed at the geometries optimized at the B3LYP level, but only slight changes in the barriers were observed. Structural parameters for the transition state are also reported.

• 한국압력기기공학회 논문집
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• 제8권1호
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• pp.1-7
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• 2012

A PHE (Process Heat Exchanger) is a key component required to transfer heat energy of $950^{\circ}C$ generated in a VHTR (Very High Temperature Reactor) to the chemical reaction that yields a large quantity of hydrogen. A small-scale PHE prototype made of Hastelloy-X is being tested in a small-scale gas loop at Korea Atomic Energy Research Institute. In order to properly evaluate the high-temperature structural integrity of the small-scale PHE prototype, it is very important to impose a proper constraint condition on its structural analysis model. For this effort, we tried to impose several constraint conditions on the structural analysis model and consequently fixed a proper and effective displacement constraints.

• 한국전산구조공학회:학술대회논문집
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• 한국전산구조공학회 2002년도 가을 학술발표회 논문집
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• pp.131-138
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• 2002

The fuel handling machine handles the core assembly in refueling period of the reactor, it is necessary to predict the motion and structural integrity of it. The kinetic analysis of the fuel handling machine was carried out for the refueling motion. The reaction forces at the joints of machine were calculated with IDEAS code considering the weight of the machine and the loading force of the core assembly, Also, the structural analysis for the machine modeled by lumped-mass and beam elements was performed by using ANSYS code. The stresses and deformations were calculated for the equivalent static force based on the kinetic analysis and the seismic loads. The calculated displacements and stresses are quite low compared with allowable limits.

• Bulletin of the Korean Chemical Society
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• 제33권5호
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• pp.1794-1796
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• 2012

• 대한화학회지
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• 제57권2호
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• pp.216-220
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• 2013

The hydroalumination of cyclopropane has been investigated using the B3LYP density functional method employing several split-valence basis sets. It is shown that the reaction proceeds via an intermediate weakly bound complex and a four-centered transition state. Calculations at higher levels of theory were also performed at the geometries optimized at the B3LYP level, but only slight changes in the barriers were observed. Structural parameters for the transition state are also reported.