• Journal of Korean Society for Atmospheric Environment
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• v.18 no.3
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• pp.193-204
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• 2002

To investigate the relationships between the atmospheric concentrations of PCBs and temperature, quantity of both parameters was performed at an urban site in Korea from July 1999 to January 2000. The strength of correlations between total PCB and temperature was found to be significant (r = 0.752, p < 0.001). It hence indicates that total PCB contents were affected sensitively by temperature change during the sampling period. The ratio of PCB homologs and Deca-CB(PCB 209) also behaved quite similarly to the change of temperature (r>0.60, p<0.05). This may be inferable with the progress of the gas/particle partitioning to the gas phase, especially for fri-and tetra-CBs. Because they have high vapor pressure, they generally exist in the gas phase. The Clausius-Clapeyron equation was applied to the atmospheric PCB data, relating PCB partial vapor pressure to inverse temperature. This may essentially represent the temperature-controlled transition between condensed phase and atmospheric gas phase. The slopes of the resulting plot with International Council for the Explanation of the Seas (ICES) congener ranged from -2810 to -5887, with significantly steep slope and $R^2$(p< 0.005) It was inferred that the PCB atmospheric concentration was also affected by change in the surrounding conditions such as soil, lakes and trees.

• Bulletin of the Korean Chemical Society
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• v.33 no.11
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• pp.3607-3617
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• 2012

In this paper, the study of various ortho- and meta-substituted Magnolol derivatives is presented. The reaction enthalpies related to three antioxidant action mechanisms HAT, SET-PT and SPLET for substituted Magnolols have been calculated using DFT/B3LYP method in gas-phase and water. Calculated results show that electron-withdrawing substituents increase the bond dissociation enthalpy (BDE), ionization potential (IP) and oxidation/reduction enthalpy (O/RE), while electron-donating ones cause a rise in the proton dissociation enthalpy (PDE) and proton affinity (PA). In ortho- position, substituents show larger effect on reaction enthalpies than in meta-position. In comparison to gas-phase, water attenuates the substituent effect on all reaction enthalpies. In gas-phase, BDEs are lower than PAs and IPs, i.e. HAT represents the thermodynamically preferred pathway. On the other hand, SPLET mechanism represents the thermodynamically favored process in water. Results show that calculated enthalpies can be successfully correlated with Hammett constants (${\sigma}_m$) of the substituted Magnolols. Furthermore, calculated IP and PA values for substituted Magnolols show linear dependence on the energy of the highest occupied molecular orbital ($E_{HOMO}$).

• Korean Chemical Engineering Research
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• v.45 no.6
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• pp.536-546
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• 2007

The nanoparticles have several interesting properties which cannot be shown in their bulk materials because of their high ratio of surface area to volume. They can be used to manufacture the nanostructured materials, the industrial materials, or the catalyst materials etc.. We can prepare nanoparticles of various sizes with high degree of monodispersity by gas phase processes and those particles can be used as raw materials for various advanced functional materials. In this paper, we introduced the aerosol reactors to synthesize nanoparticles by gas phase processes and also analyzed several features of those aerosol reactors and tried to introduce the recent interesting studies on nanoparticle synthesis by gas phase processes.

• Bulletin of the Korean Chemical Society
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• v.20 no.10
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• pp.1136-1144
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• 1999

The collision-induced reaction of gas-phase atomic hydrogen with hydrogen atoms chemisorbed on a silicon (001)-(2×1) surface is studied by use of the classical trajectory approach. The model is based on reaction zone atoms interacting with a finite number of primary system silicon atoms, which then are coupled to the heat bath, i.e., the bulk solid phase. The potential energy of the Hads‥Hgas interaction is the primary driver of the reaction, and in all reactive collisions, there is an efficient flow of energy from this interaction to the Hads-Si bond. All reactive events occur on a subpicosecond scale, following the Eley-Rideal mechanism. These events occur in a localized region around the adatom site on the surface. The reaction probability shows the maximum near 700K as the gas temperature increases, but it is nearly independent of the surface temperature up to 700 K. Over the surface temperature range of 0-700 K and gas temperature range of 300 to 2500 K, the reaction probability lies at about 0.1. The reaction energy available for the product states is small, and most of this energy is carried away by the desorbing H2 in its translational and vibrational motions. The Langevin equation is used to consider energy exchange between the reaction zone and the bulk solid phase.

• Nuclear Engineering and Technology
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• v.53 no.7
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• pp.2221-2228
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• 2021

One-dimensional oxygen transport relation is indispensable to study the oxygen distribution in the LBE-cooled system with an oxygen control device. In this paper, a numerical research is carried out to study the oxygen transport characteristics in a gas-phase oxygen control device, including the static case and dynamic case. The model of static oxygen control is based on the two-phase VOF model and the results agree well with the theoretical expectation. The model of dynamic oxygen control is simplified and the gas-liquid interface is treated as a free surface boundary with a constant oxygen concentration. The influences of the inlet and interface oxygen concentration, mass flow rate, temperature, and the inlet pipe location on the mass transfer characteristics are discussed. Based on the results, an oxygen mass transport relation considering the temperature dependence and velocity dependence separately is obtained. The relation can be used in a one-dimensional system analysis code to predict the oxygen provided by the oxygen control device, which is an important part of the integral oxygen mass transfer models.

• Journal of the Korean Ceramic Society
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• v.28 no.3
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• pp.205-214
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• 1991

Calcium carbonate fine powders were synthesized by blowing CO2 gas in CaO or Ca(OH)2 suspension, and the shapes of powders obtained were examined for each synthetic condition. When water was used as a solvent, ultrafine calcite powders with the average size of∼0.03$\mu\textrm{m}$ were obtained. When synthesized using methanol as a solvent, amorphous phase and spherical vaterite phase were obtained by suction filtering and non-filtering, respectively. Reaction did not occured in ethanol medium, but spherical vaterite phase was obtained by adding ethylene glycol in ethanol.

• Bulletin of the Korean Chemical Society
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• v.7 no.1
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• pp.20-23
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• 1986

A reduced condition for liquid-gas phase transition from the singularity of compressibility is derived using diagrammatic approach and is examined in the hard sphere system. The condition turns out that the Percus-Yevick and the Hyper-Netted-Chain approximation never conceive the idea of phase transition, and explains that the liquid-gas transition does not exist in hard sphere system. The solid-fluid transition is considered on the viewpoint of correlation function and diagrammatic analysis.

• Archives of Pharmacal Research
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• v.27 no.1
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• pp.25-30
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• 2004

Combinatorial homoserine lactone mixtures and individual products were obtained from the methionine-functionalized resin in solid-phase synthesis. The four-step process consisting of a coupling step of an N-Fmoc-L-methionine, deprotection of N-Fmoc group, N-coupling with a carboxylic acid, and cleavage reaction through a polymer supported strategy is described. Gas chromatography-mass selective detector (GC-MSD) techniques provide the most powerful methods for identifying both the combinatorial mixtures and individual products.

• Korean Chemical Engineering Research
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• v.49 no.5
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• pp.571-576
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• 2011

Characteristics of bubble driven wakes were investigated in a simulated GTL process(0.102 m ${\times}$ 1.5 m in height) with viscous liquid medium. Effects of gas velocity(0.04 ~ 0.12 m/s) and liquid viscosity(0.001 ~ 0.050 $Pa{\cdot}s$) on the wake characteristics such as rising velocity, frequency, size and holdup were determined by employing a resistivity probe method. The wake phase formed behind the rising multi-bubbles as well as single bubbles were detected effectively from the conductivity fluctuations measured by the probe. Compressed, filtered and regulated air and aqueous solutions of Carboxy Methyl Cellulose(CMC) were used as a dispersed gas phase and a continuous liquid medium, respectively. It was found that the rising velocity and size of wake phase increased with an increase in gas velocity or liquid viscosity. The holdup and frequency of wake phase increased with increasing gas velocity due to the increase of gas input into the process with increasing gas velocity. However, the values of holdup and frequency of wake phase decreased with increasing liquid viscosity, since the size of bubbles and thus that of wakes increased with increasing liquid viscosity. The ratio of wake holdup to that of gas phase, which was in the range of 0.25 ~ 0.48, increased with an increase in liquid viscosity but decreased with gas velocity. The wake characteristics were well correlated in terms of operating variables within this experimental conditions.

• Bulletin of the Korean Chemical Society
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• v.35 no.8
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• pp.2311-2316
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• 2014

Conformations and vibrational frequencies of the racemic (2RS,3RS)-5-amino-3-(4-phenylpiperazin-1-yl)-1,2,3,4-tetrahydronaphthalen-2-ol-(I) [(2RS,3RS)-(I)], a precursor of benzovesamicol analogues, have been carried out using various DFT methods (M06-2X, B3LYP, B3PW91, PBEPBE, LSDA, and B3P86) with basis sets of 6-31G(d), 6-31+G(d,p), 6-311+G(d,p), 6-311++G(d,p), cc-pVTZ, and TZVP. The LSDA/6-31G(d) level of theory shows the best performance in reproducing the X-ray powder structure. However, the PBEPBE/cc-pVTZ level of theory is the best method to predict the vibrational frequencies of (2RS,3RS)-(I). The potential energy surfaces of racemic pairs (2RS,3RS)-(I) and -(II) are obtained at the LSDA/6-31G(d) level of theory in the gas phase and in water. The results indicate that (2RS,3RS)-(I) are more stable by ~0.75 kcal/mol in energy than (2RS,3RS)-(II) in water, whereas conformer AIIg and BIIg are more stable by ~0.04 kcal/mol than AIg in gas phase. In particular, the hydrogen bond distances between the N of piperazine and the OH of tetrahydronaphthalen become longer in gas, compared with those in the water phase. Vibrational frequencies calculated at the PBEPBE/cc-pVTZ level of theory in the gas phase are larger than those in water, whereas their intensities in the gas phase are weaker than those in water.