• Membrane Journal
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• v.14 no.2
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• pp.99-107
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• 2004

Carbon molecular sieve (CMS) membranes were prepared by pyrolysis of polyimides having carboxylic acid groups and applied to the hydrogen separation. The polymeric membranes having carboxylic acid groups showed different steric properties as compared with polymeric membranes having other side groups ($-CH_3$ and $-CF_3$) because of the hydrogen bond between the carboxylic acid groups. However, the microporous CMS membranes were significantly affected by the decomposable side groups evidenced from the wide angle X-rat diffraction, nitrogen adsorption isotherms, and single gas permeation measurement. Furthermore, the gas separation properties of the CMS membranes were essentially affected by the pyrolysis temperature. As a result, the CMS membranes Prepared by Pyrolysis of polyimide containing carboxylic acid froups at $700^{\circ}C$ showed the $H_2$ permeability of 3,809 Baller [$1{\times}10^{-10}$ H $\textrm{cm}^$(STP)cm/$\textrm{cm}^2$.s.cmHg], $H_2$/$N_2$, selectivity of 46 and $H_2$/$CH_4$ selectivity of 130 while the CMS membranes derived from polyimide showed the H$_2$ permeability of 3,272 Barrer, $H_2$/$N_2$ selectivity of 136 and $H_2$/$CH_4$ selectivity of 177.

• Bulletin of the Korean Chemical Society
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• v.26 no.9
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• pp.1339-1343
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• 2005

The N-inversion energies and nucleophilic ring-opening reactions of N-substituted aziridine compounds are investigated using B3LYP/6-31+$G^*$ methods, where substituents (R) on the nitrogen atom has been H (1), Me (2), Ph (3), Bn (4), CHMePh (5), $CO_2Me$ (6), COPh (7) and $SO_2Ph$ (8). The N-inversion energy with X group are decreased as the following order: R = CHMePh (17.06 kcal/mol) $\gt$ Me (16.97) $\gt$ Bn (16.70) $\gt$ H (16.64) $\gt$ $SO_2Ph$ (12.18) $\gt$ Ph (8.91) $\gt$ COPh (5.75) $\gt$ $CO_2Me$ (5.48). For reactivity of the ring opening toward cyanide ion, the aziridine 6 (R=$CO_2Me$) is shown to be the most reactive one. During the ring opening of aziridine 6 by CN$^{\ominus}$, the torsional OCNC angle becomes near to $180^{\circ}$, where the geometry allows for the effective incorporation of electrons of the nitrogen atom to the C=O bond. It would be a possible driving force for nucleophilic ring opening reaction as well as decreasing the N-inversion energy barrier. Regarding to the regioselectivity, the orientation of nucleophile in ring opening reaction appears to be different in the case of 9 and 10. The results are discussed in terms of steric/electronic effect of the $C_2$-substituents.

• Korean Journal of Crystallography
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• v.5 no.1
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• pp.14-19
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• 1994

Tlifluoromethyltriphenyl-1,2,4-tioxolane(C2IHlsF303)is triclinic, space group P1 with a=10.477(1), b= 11.056(1), c=9.917(3) A, a=104.7(1), B=122.7(1), r=63.9(1), Z=2, V=867.9(3) A3, Dc=1.43 g/cm3, λ(Mo Ka)=0.71069 A, μ=0.0116 cm-1,F(000)=384, and R=0.067 for 1713 unique observed reflections with I > 1.0 o(I). The structure was solved by direct methods and refined by fall-matrix least-squares refinement with the fixed C-H bond lengths at 0.96 A. Two phenyl rings((2) and (3)) that have the dihydral angle of 106.0°.

• Journal of the Korea Concrete Institute
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• v.21 no.6
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• pp.781-788
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• 2009

Mechanical properties of steel-concrete interface were evaluated on the basis of experimental observations. The properties included bond strength, unbounded and bonded friction angles, residual level of friction angle, mode I fracture energy, mode II bonded fracture energy and unbonded slip-friction energy under different levels of normal stress, and shape parameters to define geometrical shape of failure envelope. For this purpose, a typical type of constitutive model of describing steel-concrete interface behavior was presented based on a hyperbolic three-parameter Mohr-Coulomb type failure criterion. The constitutive model depicts the strong dependency of interface behavior on bonding condition of interface, bonded or unbounded. Values of the interface parameters were determined through interpretation of experimental results, geometry of failure envelope and sensitivity analysis. Nonlinear finite element analysis that incorporates steel-concrete interface as well as material nonlinearities of concrete and steel were performed to predict the experimental results.

• Transactions of the Korean Society of Mechanical Engineers
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• v.7 no.3
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• pp.263-269
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• 1983

Underwater welding by a gravity arc welding process was investigated by using six types of coated electrodes and SM41A steel plates of 10 mm thickness as base metal and it was ascertained that this process may be put to practical use. Main results obtained are summarized as follows: 1. Angle of electrode affects no influence on bead appearance and the proper range of welding current and diameter of electrode for the high titanium oxide type is relatively wider than that for the ilmenite type. And the lime titania type, high titanium oxide type and ilmenite type of domestic coated arc welding electrodes of .phi.4 mm could attain the soundest underwater welded joints which contain no welding imperfection. 2. According to macro-structure, micro-structure and hardness distribution inspectionson underwater welded joint, the area between the HAZ and the surface of the weld in neighbourhood of the bond has the maximum hardness value. The structure of these parts is martensite and bainite. Other parts contain mocro-ferrite, micro-pearlite structure, which contain soundness of welded joint free from weld imperfection. 3. On consideration of both tensile strength of more than 100% joint efficiency and sufficient impact value, the welding condition which can get optimal welding strength is heat input of 1,400-1,500 J/mm, current of 200-215 ampere (voltage of 32-33 volts) in the case of lime titania type electrode. 4. Underwater welding strength (tensile strength, impact strength) depends on heat input (or current) quantitatively and they have the relationship of parabolic function. Each experimental equation has a high reliability and its percent of mean error is 4.14%. 5. It is suggested that the optimal design of weld strength by welding condition (current, heat input) could be utilized for a quality control of underwater welding.

• Journal of the Korean Society for Heat Treatment
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• v.19 no.4
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• pp.200-207
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• 2006

In addition to the basic properties of the base and top coating agents, corrosion resistance of non-chrome magni 565 coating and characteristics of coating film when coated to steel substrate were studied. The system had a good wettability at room temperature. Moreover, both the contact angle and surface tension were affected little by the viscosity of coating agent and surface roughness of the steel substrate. And the samples coated with optimal conditions showed a great corrosion resistance in salt spray test with 1500 hours or longer of initial appearance time of rust. The coating film was composed of overlapping layer of zinc and aluminium flakes, and the thickness of base coat increased with an increase of base coat viscosity. Based on the C-F peaks of 1,1-Difluoroethaen homo-polymer, it was thought that the base coat was an inorganic polymer bond layer. Meanwhile, the top coat showed C-F peaks of polytetrafluoroethylene with C-H peaks of phenol in FT-IR analysis. From the lower weight loss of base coat in TG analysis, it was thought that cross linking density of base coat was larger than that of top coat. It was thought that the small exothermic reactions observed in DSC curves were due to the thermosetting resins contained in the coating agents. Compared to the non-coated specimen, the coated sample showed more higher polarization resistance and corrosion potential with lower corrosion current density.

• Restorative Dentistry and Endodontics
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• v.20 no.1
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• pp.152-163
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• 1995

This experiment was performed to observe the adhesion pattern and microleakage in the gingival margin according to variation in the resin cement thickness which results from thickness of Die spacer. which is considered to effect the adaptability of the composite resin inlays. Clearfil CR inlays were fabricated on stone models with CR Sep applicated once and Nice fit twice, 4 times, and 6 times each. After 2nd curing within the CRC-100 oven, CR inlays were cemented with CR inlay cement. Dye(2% methylene blue) penetration and adhesion pattern were evaluated after sectioning of gingival margin into :3 pieces. The results were as follows ; 1. The thickness of resin cement showed unevenchanging pattern with that of die spacer, namely, it was increased until 4 times' application of Nice-Fit but was decreased with 6 times' application of that. 2. The degree of dye penetration wasn't affected by cement thickness within a limited value. 3. Most of dye penetration was shown through the interface between cement and enamel rather than the interface between cement and CR inlay. This shows that the affinity of resin cement for CR inlay was superior to the adhesive strength with tooth structure. 4. No gap was found at the interface between enamel and cement but some showed separation between dentin and cement. It is concidered that the contraction force of cement was less than the bond strength with the enamel. 5. Lots of voids were found in the CR inlay and resin cement. There was a pooling tendency of bonding agent and cement in the axiogingival line angle portion. 6. In some specimens, cracks were shown in enamel margin. From this it could be considered that cavity preparation and surface treatment weakened the tooth structure.

• Journal of the Korean Magnetics Society
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• v.25 no.4
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• pp.106-110
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• 2015

We have studied electronic and magnetic structure of 2 kinds of diiron molecules using OpenMX method based on density functional method. The calculated density of states of diiron-2 is similar with that of diiron-4 because of equal number of 6 ligand atoms. The calculated total energy with antiferromagnetic spin configuration is lower than those of ferromagnetic configurations for both of them. The exchange interaction J of diiiron-4 between $Fe^{+3}$ atoms is one order larger than that of diiron-2, and the calculated J matches well with the experimental one. That comes from the short distance of Fe-O and the high O 2p energy levels. It derives a strong super exchange interaction. The angle of diiron-4 between Fe atoms is bigger than that of diiron-2. It also derives a strong super exchange interaction because of the ${\sigma}$-bond between Fe and O atoms.

• Korean Journal of Crystallography
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• v.15 no.2
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• pp.74-77
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• 2004

The crystal structure of Dinitroethylenediaminepalladium(II), $Pd(C_2H_8N_2)(NO_2)_2$, has been determined by X-ray crystallography. Crystal data: a=7.425(3), b=8.480(4), c=11.885(2) ${\AA}$, Orthorhombic, $A2_1ma$ (Space Group No=36), Z=4, V=748.3(4) ${\AA}^3,\;D_c=2.295 gcm^{-3},\;{\mu}=2.457mm^{-1}$. The structure was solved by Patterson method and refined by full matrix least-square methods using unit weights. The final R and S values were $R_1=0.0306,\;R_w=0.0802,\;R_{all}=0.0320,\;and\;S=1.166)$ for the observed 377 reflections. Bond lengths and angles of palladium complex are similar to the previously reported data. The complex structure is one dimensional Reiset's salt type analogue showing zigzag chain of Pd-Pd length and angle of 3.762(2) ${\AA}$ and $161.41(5)^{\circ}$. The complex molecules are linked through inter-and intramolecular hydrogen bonds of 3.05(1) and 3.15(1) ${\AA}$ between oxygen and nitrogen.

• Proceedings of the Korean Biophysical Society Conference
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• 2003.06a
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• pp.75-75
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• 2003

We report here the results on N-acetyl-N'-dimethylamide of proline (Ac-Pro-NM $e_2$) calculated using the ab initio molecular orbital method with the self-consistent reaction field (SCRF) theory at the HF level with the 6-31+G(d) basis set to investigate the conformational preference of polyproline depending on the cis/trans peptide bonds and down/up puckerings along the backbone torsion angle $\square$ in the gas phase, chloroform, and water. In the gas phase, Ac-Pro-NM $e_2$ has seven local minima of tFd, tFu, cFd, cFu, cAu, tAu, and cAd conformations. In particular, polyproline conformations tFd, tFu, cFd, and cFu are found to be more stable than $\square$-helical conformations cAu, tAu, and cAd. In contrast, Ac-Pro-NHMe has seven local minima of tCd, tCu, cBd, cAu, tAu, cFd, and cFu conformations. Conformations tCd and tCu are found to be most stable, which is ascribed to the intramolecular hydrogen bond between C=O of acetyl group and $N^{~}$ H of N'-methyl amide group. The stability of the cFd conformation (i.e., the polyproline I structure) in chloroform is somewhat increased, relative to that in water, although tFd and tFu conformations (i.e., the polyproline II structure) are dominate both in chloroform and water. The population of backbone conformations feasible in chloroform and water is consistent with the experiments. This work is supported by a Korea Research Foundation Grant (KRF-2002-041-C00129).