• Bulletin of the Korean Chemical Society
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• v.30 no.3
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• pp.749-752
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• 2009

• 한국신재생에너지학회:학술대회논문집
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• 2005.11a
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• pp.634-637
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• 2005

Hydrogen adsorption mechanism onto the porous metal-organic frameworks (MOFs) has been studied by density functional theory calculation. The selected functionals for the predict ion of interact ion energies between hydrogen and potential adsorption sites of MOF was utilized after the evaluation with the various functionals for interaction energy of $H_2C_6H_6$ model system the adsorption energy of hydrogen molecule into MOF was investigated with the consideration of the favorable adsorption sites and the orientations. We also calculated the second favorable adsorption sites by geometry optimization using every combination of two first absorbed hydrogen molecules. Based on the calculation of first and second adsorption sites and energies, the hydrogen adsorption into MOF follows a cooperative mechanism in which the initial metal sites initiate the propagation of the hydrogen adsorption on the whole frameworks. In addition, it was found that the interaction strength between the simple benzene ring with hydrogen is significantly reinforced when the benzene ring has been incorporated into the framework of MOFs.

• Bulletin of the Korean Chemical Society
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• v.35 no.8
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• pp.2443-2447
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• 2014

A kinetic study is reported on nucleophilic substitution reactions of 4-nitrophenyl nicotinate (7) and 4-nitrophenyl isonicotinate (8) with a series of cyclic secondary amines in $H_2O$ containing 20 mol % DMSO at $25.0^{\circ}C$. The Br${\o}$nsted-type plots for the reactions of 7 and 8 are linear with ${\beta}_{nuc}=0.90$ and 0.92, respectively, indicating that the reactions proceed through a stepwise mechanism with expulsion of the leaving group occurring in the rate-determining step. Comparison of the reactivity of 7 and 8 with that of 4-nitrophenyl benzoate (2a) and 4-nitrophenyl picolinate (6) has revealed that their reactivity toward the amines increases in the order 2a < 7 < 8 < 6, although the reactions of these substrates proceed through the same mechanism. Factors that control reactivity and reaction mechanism have been discussed in detail (e.g., inductive and field effects, H-bonding interaction, solvent effect, etc.).

• Progress in Superconductivity
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• v.9 no.2
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• pp.127-135
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• 2008

We study the effects of phonon interaction on the superconducting pairing in the high $T_c$ superconductors (HTSC). Using coupled BCS gap equations, we found that phonon interaction can induce a s-wave component to the d-wave gap, mediated by Antiferromagnetic (AFM) spin fluctuations, in the (D+iS) form. However, $T_c$ is not enhanced compared to the pure d-wave pairing without phonon interaction. On the other hand, anisotropic phonon interaction can dramatically enhance the d-wave pairing and $T_c$ itself, together with the AFM spin fluctuation interaction. This ($D_{AFM}+D_{ph}$) type pairing exhibits strongly reduced isotope coefficient despite the large enhancement of $T_c$ by phonon interaction.

• Proceedings of the Zoological Society Korea Conference
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• 1998.10b
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• pp.78-78
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• 1998

No Abstract, See Full Text

• Bulletin of the Korean Chemical Society
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• v.33 no.5
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• pp.1547-1550
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• 2012

Second-order rate constants ($k_N$) have been measured spectrophotometrically for the reactions of benzyl 2-pyridyl carbonate $\mathbf{3}$ and $t$-butyl 2-pyridyl carbonate $\mathbf{3}$ with a series of alicyclic secondary amines in MeCN at $25.0{\pm}0.1^{\circ}C$. Substrate $\mathbf{4}$ is much less reactive than $\mathbf{3}$ and the steric hindrance exerted by the bulky $t$-Bu group in $\mathbf{4}$ has been attributed to its decreased reactivity. The Br${\o}$nsted-type plots for the reactions of $\mathbf{3}$ and $\mathbf{4}$ are linear with ${\beta}_{nuc}=0.57$ and 0.45, respectively. Thus, the reactions have been concluded to proceed through a concerted mechanism, although the current reactions were expected to proceed through a stepwise mechanism with a zwitterionic tetrahedral intermediate $T^{\pm}$. It has been proposed that the rate of leaving-group expulsion is accelerated by the intramolecular H-bonding interaction in $T^{\pm}$ and the "push" provided by the RO group through the resonance interaction. Thus, the enhanced nucleofugality forces the reactions to proceed through a concerted mechanism. The reactivity-selectivity principle (RSP) is not applicable to the current reaction systems, since the reaction of the less reactive $\mathbf{4}$ results in a smaller ${\beta}_{nuc}$ than that of the more reactive $\mathbf{3}$. Steric hindrance exerted by the bulky $t$-Bu group in $\mathbf{4}$ has been suggested to be responsible for the failure of the RSP.

• Journal of the Korean Society of Combustion
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• v.17 no.3
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• pp.17-29
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• 2012

The effects of strain rate and preferential diffusion of $H_2$ on flame extinction are numerically studied in interacting premixed syngas-air flames with fuel compositions of 50% $H_2$ + 50% CO and 30% $H_2$ + 70% CO. Flame stability diagrams mapping lower and upper limit fuel concentrations at flame extinction as a function of strain rate are examined. Increasing strain rate reduces the boundaries of both flammable lean and rich fuel concentrations and produces a flammable island and subsequently even a point, implying that there exists a limit strain rate over which interacting flame cannot be sustained anymore. Even if effective Lewis numbers are slightly larger than unity on extinction boundaries, the shape of the lean extinction boundary is slanted even at low strain rate, i.e. $a_g=30s^{-1}$ and is more slanted in further increase of strain rate, implying that flame interaction on lean extinction boundary is strong and thus hydrogen (as a deficient reactant) Lewis number much less than unity plays an important role of flame interaction. It is also shown that effects of preferential diffusion of $H_2$ cause flame interaction to be stronger on lean extinction boundaries and weaker on rich extinction boundaries. Detailed analyses are made through the comparison between flame structures with and without the restriction of the diffusivities of $H_2$ and H in symmetric and asymmetric fuel compositions. The reduction of flammable fuel compositions in increase of strain rate suggests that the mechanism of flame extinction is significant conductive heat loss from the stronger flame to ambience.

• Korean Journal of Child Studies
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• v.29 no.5
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• pp.243-269
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• 2008

The role of domain-specific causal mechanism information and domain-general conditional probability in young children's causal reasoning on physics and psychology was investigated with the participation of 121 3-year-olds and 121 4-year-olds recruited from seven child care centers in Seoul, Kyonggi Province, and Busan. Children watched moving pictures on physical and psychological phenomena, and were asked to choose an appropriate cause and justify their choice. Results showed that young children's causal reasoning differed depending on domain-specific mechanism. In addition, their causal reasoning on physics and psychology differed by the developmental level of causal mechanism. The interaction of domain-specific mechanism and domain-general conditional probability influenced children's causal reasoning : evident conditional probability between domain-appropriate cause and effect helped children make more inferences based on domain-specific causal mechanism.

• Transactions of the Korean Society of Mechanical Engineers B
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• v.20 no.8
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• pp.2561-2571
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• 1996

The flow in the turbomachinery is very unsteady due to the stator-rotor interaction. It has been indicated that the stator-rotor interaction has three distinct causes of unsteadiness: that is, the viscous vortex shedding, wake rotor interaction and potential stator-rotor interaction. In this paper, the mechanism of unsteady potential interaction and wake interaction in the stator-rotor stage flow is numerically investigated in two-dimensional view point. The numerical technique used is the upwind scheme of Van Leer's Flux Vector Splitting(FVS) and cubic spline interpolation is applied on zonal interface. Then, the flow field of a compressor stage composed of NACA 65410 is analyzed. Flow fields are found to be simulated reasonably by this method and the sensitivity due to back-pressure variation is more stronger than rotor-velocity variation.

• Transactions of the Korean Society of Mechanical Engineers B
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• v.25 no.11
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• pp.1518-1526
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• 2001

In this paper, the mechanism of unsteady potential interaction and wake interaction in one stage axial turbine is numerically investigated at design point in two-dimensional viewpoint. The numerical technique used is the upwind scheme of Van-Leer's Flux Vector Splitting (FVS) and Cubic spline interpolation is applied on zonal interface between stator and rotor. The inviscid analysis is used to embody the influence of potential interaction only and viscous analysis is used to embody the influences of both potential interaction and wake interaction at the same time. The potential-flow disturbance from the stator into a rotor passage and the periodic blockage effect of rotor produce the unsteady pressure on the blade surface in inviscid analysis. After the wake is cut by rotor, two counterrotating votical patterns flanking the wake centerline in the passage are generated. So, these phenomena magnify the unsteady pressure in viscous analysis than that in inviscid analysis. The resulting unsteady forces on the rotor, generated by the combined interaction of the two effects by potential and wake interaction, are discussed.