• 한국물환경학회지
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• 제30권2호
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• pp.175-183
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• 2014

The influence of temperature on the treatment efficiency of chlorinated organic substances contained in groundwater by permeable reactive barrier which is composed of $Fe^{\circ}$ has been investigated by constructing the Pourbaix diagrams for Fe-$H_2O$ system at different temperatures based on thermodynamic estimation. In aerobic condition, the equilibrium potentials for $Fe^{\circ}/Fe^{2+}$ and $Fe^{2+}/Fe^{3+}$ were observed to increase, therefore, the dechlorination reaction for organic pollutants by $Fe^{\circ}$ was considered to decline with temperature due to the diminished oxidation of reactive barrier. The result for the variations of the ionization fraction of $Fe^{2+}$ and $Fe^{3+}$ ion in the pH range of 0 ~ 2.5 obtained by employing Visual MINTEQ program showed that the ionization fraction of $Fe^{2+}$ increased with pH, however, that of $Fe^{3+}$ decreased symmetrically and the extent of the variation of ionization fraction for both ions was raised as temperature rises. The equilibrium pH for $Fe^{3+}/Fe(OH)_3$ was examined to decrease with temperature so that the treatment efficiency of chlorinated organic substance was expected to decrease with temperature due to the enhanced formation of passivating film in aerobic condition. The change of the reactivity of a specific chemical species with temperature was defined quantitatively based on the area of its stable region in Pourbaix diagram and depending on this the reactivity of $Fe^{3+}$ was shown to decrease with temperature, however, that of $Fe(OH)_3$ was decreased monotonously as temperature is raised for $Fe^{3+}/Fe(OH)_3$ equilibrium system. In anaerobic condition, the equilibrium potential for $Fe^{\circ}/Fe^{2+}$ was observed to rise and the equilibrium pH for $Fe^{2+}/Fe(OH)_2$ were examined to decrease as temperature increases, therefore, similar to that for aerobic condition the efficiency of the dechlorination reaction for organic substances was considered to be diminished when temperature rises because of the reduced oxidation of $Fe^{\circ}$ and increased formation of $Fe(OH)_2$ passivating film.

• 한국초전도ㆍ저온공학회논문지
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• 제6권3호
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• pp.27-32
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• 2004

High temperature superconducting coated conductor has a structure of /< superconducting layer>//. The buffer layer consists of multi layer, and the architecture most widely used in RABiTS approach is CeO$_2$(cap layer)/YSZ(diffusion barrier layer)/CeO$_2$(seed layer). Evaporation technique is used for the CeO$_2$ layer and DC reactive sputtering technique is used for the YSZ layer, A chamber was set up specially for DC reactive sputtering, Detailed features are as following. A separator divided the chamber into two halves a sputtering chamber and a reaction chamber. The argon gas for sputtering target elements flows out of the cap of sputtering gun, and water vapor for reaction with depositing species spouts near the substrate. Turbo pump is connected with reaction chamber. High speed deposition of YSZ film could be achieved in the chamber. Detailed deposition conditions (temperature and partial pressure of reaction gas) were investigated for the rapid growth of high quality YSZ film.

• Bulletin of the Korean Chemical Society
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• 제6권6호
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• pp.362-366
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• 1985

The hydrogen atom transfer reaction between substituted methane, $CH_3X,$ and its radical, $CH_2X(X=H,F,CH_3,CN,OH\;and\;NH_2$ was studied by MINDO/3 method. The transition state(TS) structure and energy barriers were determined and variation of the transition state and of the reactivity due to the change of X were analyzed based on the potential energy surface characteristics. It was found that the greater the radical stabilization energy. the looser the TS becomes; the TS occurs at about 15% stretch of the C-H bond, which becomes longer as the radical stabilization energy of $CH_2X$ increasers. The intrinsic barrier, ${\Delta}E*_{x.x},$ of the reaction with X was found to increase in the order $H The degree of bond stretch of the C-H bond stretch of the C-H bond at the TS also had the same order indicating that the homolytic bond cleavage of the C-H bond is rate-determining. Orbital interactions at the TS between LUMO of the fragment $C{\ldots}H{\ldots}C$ and the symmetry adapted pair of nonbonding, $n{\pm}(=n_1{\pm}n_2),$ or pi orbitals of the two X atoms were shown to be the dominant contribution in determining tightness or looseness of the TS. The Marcus equation was shown to apply to the MINDO/3 barriers and energy changes of the reaction.

• 대한금속재료학회지
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• 제49권7호
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• pp.577-582
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• 2011

The newly developed ${\alpha}-case$ controlled mold material for Ti investment castings was suggested in this research. The $Al_2O_3$ mold containing interstitial $TiO_2$ and substitutional $Ti_3Al$ was manufactured by the reaction between $Al_2O_3$ and Ti. It is obvious that as the $TiO_2$ and $Ti_3Al$ content in the mold surface were increased, the depth of the interfacial reaction was significantly reduced. In addition, substitutional $Ti_5Si_3$ in the mold surface owing to the reaction between Ti and $SiO_2$ from the binder was effective for ${\alpha}-case$ reduction. Therefore, the ${\alpha}-case$ reduction was accomplished by the diffusion barrier effect of interstitial $TiO_2$, substitutional $Ti_3Al$ and $Ti_5Si_3$.

• 대한약학회:학술대회논문집
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• 대한약학회 2003년도 Proceedings of the Convention of the Pharmaceutical Society of Korea Vol.2-2
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• pp.158.1-158.1
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• 2003

We report here the results on N-acetyl-N"-methylamide of oxazolidine (Ac-Oxa-NHMe) calculated using the ab initio molecular orbital method with the self-consistent reaction field (SCRF) theory at the HF level of theory with the 6-31 +G(d) basis set. The displacement of the $\gamma$-$CH_2$ group in proline ring by oxygen atom has affected the structure of proline, cis-trans equilibrium, and rotational barrier. The up-puckered structure is found to be prevalent for the trans conformers of the Oxa amide. (omitted)

• Bulletin of the Korean Chemical Society
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• 제31권5호
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• pp.1349-1354
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• 2010

The geometries and isomerization of the alkylidene silylenoid $H_2C$ = SiLiF as well as its insertion reactions with R-H (R = F, OH, $NH_2$) have been systematically investigated at the B3LYP/6-311+$G^*$ level of theory. The potential barriers of the three insertion reactions are 97.5, 103.3, and 126.1 kJ/mol, respectively. Here, all the mechanisms of the three reactions are identical to each other, i.e., an intermediate has been formed first during the insertion reaction. Then, the intermediate could dissociate into the substituted silylene ($H_2C$ = SiHR) and LiF with a barrier corresponding to their respective dissociation energies. Correspondingly, the reaction energies for the three reactions are -36.4, -24.3, and 3.7 kJ/mol, respectively. Compared with the insertion reaction of $H_2C$ = Si: and R-H (R = F, OH and $NH_2$), the introduction of LiF makes the insertion reaction occur more easily. Furthermore, the effects of halogen (F, Cl, Br) substitution and inorganic salts employed on the reaction activity have also been discussed. As a result, the relative reactivity among the three insertion reactions should be as follows: H-F > H-OH > H-$NH_2$.

• Corrosion Science and Technology
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• 제12권5호
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• pp.253-258
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• 2013

Effects of copper hydroxide(II) on the curing and the corrosion resistance of electrocoating were investigated by MEK rubbing test, electrochemical impedance spectroscopy (EIS) and Thermo-gravimetric analysis (TGA). Curing performance of electrocoating was lowered with increasing the content of copper hydroxide(II) as evidenced by the MEK rub performance which decreased with increasing the content of copper hydroxide(II). This indicates copper hydroxide(II) affected the blocked isocyanate reaction in the coatings, by the decomposition of copper hydroxide(II) to CuO and $H_2O$ during reaction of isocyanate with nuclephiles. Corrosion resistance of coatings also decreased with the content of copper hydroxide. This reflects the higher barrier property in coatings with higher curing performance.

• 한국미생물·생명공학회지
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• 제25권1호
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• pp.37-43
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• 1997

Triphenylmethane was decolorized rapidly by enterbacter cloacae MG 82 at initial reaction time. The spheroplast showed higher activity of triphenylmentane decolorization than that of intact cell suspension. The outer part of the bacterial cell envelope and the peptidoglycan are important for the function of transport barrier of triphenylmethane. In intact cell, decolorization activity was higher at 37$\circ $C than at $\circ $C, indicating that triphenylmethane decolorization is due to the enzyme reaction. Culture filtrate showed no decolorization activity, while cell-free extract appeared high activity of 1.45 units, clearly showing that decolorization activity was due to the cell-free extract. Comparing decolorization activities of cell fractions, it was found that decolorization activity was located at the compartment of cytoplasmic membrane. The enzyme activity was also shown to be Mg$^{++}$-dependent. The optimum pH and temperature of enzyme activity were 7.0 and 50$\circ $C, respectively. The thermostability of this enzyme at 35$\circ $C was kept to 58% for 3 hours.

• Clinical and Experimental Pediatrics
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• 제52권6호
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• pp.649-654
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• 2009

The immune system is comprised of cells and molecules whose collective and coordinated response to the introduction of foreign substance is referred to as the immune response. Defense against microbes is mediated by the early reaction (innate immunity) and the late response (adaptive immunity). Innate immunity consists of the epithelial barrier, phagocytes, complement and natural killer cells. Adaptive immunity, a more complex defense reaction, consists of activation of later-developed lymphocytes that, when stimulated by exposure to infectious agents, increase in magnitude and defensive capabilities with each successive exposure. In this review we discuss recent advances in important primary immune deficiency disorders of innate immunity (chronic granulomatous disease, leukocyte adhesion deficiency) and adaptive immunity (severe combined immune deficiency, Wiskott- Aldrich syndrome).

• Bulletin of the Korean Chemical Society
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• 제23권11호
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• pp.1553-1559
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• 2002

Calculations are presented for the molecule HC2N and its geometrical isomers. The structures, harmonic frequencies and dipole moments are reported. The potential energy surface of the [H,C,C,N] system is investigated in detail, and the transition states, intermediate complexes, and the energies of barrier for the isomerization and dissociation reactions are computed in order to determine the reaction paths and to estimate the stability of the isomers. The barriers of isomerization among HCCN, HCNC and HNCC are computed to be rather large and dissociations of these molecules are highly endothermic, indicating that these molecules are kinetically stable. The association reactions HC + CN→HCCN, HC + NC→HCNC, and HN + CC →HNCC are barrierless and very exothermic, suggesting that they may be considered as efficient means of producing the HCCN and the isomers in the laboratory and in interstellar space.