• Bulletin of the Korean Chemical Society
• /
• v.32 no.9
• /
• pp.3267-3273
• /
• 2011

Ag(I) carboxylate gelators with mixed-ligands were systemically investigated to understand the mechanism of the organic gel formation. The gelators constructed 3-D networks of nanometer-sized thin fibers which facilitated gel formation in various aromatic organic solvents, even at very low concentrations. The loss of reflection peaks in the X-ray diffraction data indicated the reduction of strong interactions between the long alkyl chains as the Ag(I) carboxylates formed gels by maximizing their interactions with the organic solvents. The gelation temperature ($T_{gel}$) was measured to explore the interaction between the gelator molecules and solvents depending on their composition and concentration. Based on the gelation phenomena, a dissociation/re-association mechanism was proposed.

• Journal of the Korean Ceramic Society
• /
• v.23 no.2
• /
• pp.55-63
• /
• 1986

In variuos physcial and chemical cause of damage of refractories for steel makin the clarification of the wear mechanism of brick is situated on important factor. In the present paper the wear mechanism of high alumina brick for the arc-furnace roof were inves-tigated by means of XRD, EPMA. SEM and microscopy. The results obtained were summerized as follows : (1) The altered layers which exist in high alumina brick used for arc-furnace roof were verified by mineral chemical analysis and EPMA. (2) The diffusion of materials combined with slag dust and iron oxide from furnace atmosphere in high basic process from hot face to interior was verified. (3)Activation energy for the synthesized slag permeated into the unused brick texture was 47-51 kcal per mole.

• Proceedings of the KSME Conference
• /
• 2001.11b
• /
• pp.487-492
• /
• 2001

The Multi-bubble sonoluminescence(MBSL) provides a unique environment, that is, very high temperature$(5,000\sim20,000K)$ and high pressure$(500\sim10,000\;atm)$. However, the mechanism for the MBSL has been elusive. Recently, it has been suggested that the mechanism be continuous and also of discrete peaks that are caused by molecular transitions. In this article, this mechanism has been examined for the Ar/water system by the combined hydrodynamics and molecular transition.

• Journal of the Korean Chemical Society
• /
• v.16 no.4
• /
• pp.232-240
• /
• 1972

The rate constants for the addition reaction of n-butylmercaptan to ethylacrylate have been measured by iodometry and for the proposed reaction mechanism a rate equation which can be applied over wide pH range was derived. From this rate equation, one may conclude that the reaction is started by addition of n-butylmercaptan molecule below pH 4. However, above pH 7, this addition reaction is proceeded by the n-butylmercaptide ions. At pH 4-7, the complex addition reaction mechanism can also be revealed by this rate equation.

• Bulletin of the Korean Chemical Society
• /
• v.23 no.5
• /
• pp.715-720
• /
• 2002

Kinetic studies of the reaction of Z-aryl cyclobutanecarboxylates with X-pyridines in acetonitrile at $55.0^{\circ}C$ have been carried out. The reaction proceeds by a stepwise mechanism in which the rate-determining step is the breakdown of the zwitterion ic tetrahedral intermediate, T $\pm$ . These mechanistic conclusions are drawn based on (i) the large magnitude of ${\rho}X$ and $\rhoZ$, (ⅱ) the positive sign of ${\rho}XZ$ and the larger magnitude of $\rhoXZ$ than normal SN2 processes, (ⅲ) a small positive enthalpy of activation, ${\Delta}H{\neq}$, and a large negative, ${\Delta}S{\neq}$, and lastly (iv) adherence to the reactivity-selectivity principle (RSP) in all cases.

• Bulletin of the Korean Chemical Society
• /
• v.27 no.8
• /
• pp.1154-1158
• /
• 2006

Anomalously high ionic mobilities of H+ and $OH^-$ are owing to the transfer of $H^+$ by the Grotthus chain mechanism. Molecular dynamics simulations for the system of 215 water including $OH^-$ ion at 298.15 K using the OSS2 model [J. Chem. Phys. 109, 5547 (1998)] as a dissociable water model with the use of Ewald summation were carried out in order to study the dynamics of $OH^-$ in water. The calculated ionic mobility of $OH^-$ is in good agreement with the experimental result and the Grotthus chain mechanism is fully understood.

• Journal of the Korean Society of Combustion
• /
• v.3 no.2
• /
• pp.41-50
• /
• 1998

Numerical simulations of nonpremixed $CH_4/C_2HCl_3$(Trichloroethylene, TCE)/Air flames are conducted at atmospheric pressure in order to understand the effect of hydrocabon bound chlorine on methane/air flames. A chemical kinetic mechanism is employed, the adopted scheme involving 48 gas-phase species and 445 elementray reaction steps containing 223 backward reactions. The calculated temperature, velocity, and critical strain rate are compared with the experiments for the flame (16.1% TCE by Vol.) estabilished at a strain rate of $175s^{-1}$. Whereas there is overall good agreement between predictions and the measurements, it appears that the critical strain rate is higher than measured, and some areas of further refinement in the kinetic mechanism are required.

• Journal of the Korean Ceramic Society
• /
• v.26 no.4
• /
• pp.539-549
• /
• 1989

Polycrystalline TiO2 thin films were deposited on Si and Al2O3 substrates by CVD method. Ethyl titanate, Ti(OC2H5)4, was used as a source material for Ti and O, and Ar was used for carrier gas. In the surface chemical reaction controlled deposition condition, the apparent activation energy of 6.74 Kcal/mole was obtained, and the atomic adsorption on substrate surface was proved to be governed by Rideal-Elley mechanism. In the mass transfer controlled deposition condition, the deposition rate was in a good agreement with the result which was calculated by the simple boundary layer theory. It was also observed that TiO2 thin films show different surface morphology according to the different deposition mechanism, which was fixed by deposition conditions. This phenomenon could be well explained by the surface perturbation theory.

• Bulletin of the Korean Chemical Society
• /
• v.29 no.4
• /
• pp.741-748
• /
• 2008

We have studied the folding mechanism of $\beta$ -hairpins in the proteins 1GB1, 3AIT and 1A2P by conducting unfolding simulations at moderately high temperatures. The analysis of trajectories obtained from molecular dynamics simulations in explicit aqueous solution suggests that the positions of the hydrophobic core residues lead to subtle differences in the details of folding dynamics. However, the folding of three different hairpins can be explained by a unified mechanism that is a blend of the hydrogen-bond-centric and the hydrophobiccentric models. The initial stage of $\beta$-hairpin folding involves various partially folded intermediate structures which are stabilized by both the van der Waals interactions of hydrophobic core residues and the electrostatic interactions of non-native hydrogen bonds. The native structure is obtained by forming native contacts in the final tune-up process. Depending on the relative positions of the hydrophobic residues, the actual mechanism of hairpi n folding may or may not exhibit well-defined intermediates.

• Bulletin of the Korean Chemical Society
• /
• v.34 no.11
• /
• pp.3218-3222
• /
• 2013

The aminolyses, anilinolysis and pyridinolysis, of bis(2-oxo-3-oxazolidinyl) phosphinic chloride (1) have been kinetically investigated in acetonitrile at 55.0 and $35.0^{\circ}C$, respectively. For the reactions of 1 with substituted anilines and deuterated anilines, a concerted SN2 mechanism is proposed based on the selectivity parameters and activation parameters. The deuterium kinetic isotope effects ($k_H/k_D$) invariably increase from secondary inverse to primary normal as the aniline becomes more basic, rationalized by the transition state variation from a backside to a frontside attack. For the pyridinolysis of 1, the authors propose a stepwise mechanism with a rate-limiting step change from bond breaking for more basic pyridines to bond formation for less basic pyridines based on the selectivity parameters and activation parameters. Biphasic concave upward free energy relationship with X is ascribed to a change in the attacking direction of the nucleophile from a frontside attack with more basic pyridines to a backside attack with less basic pyridines.