• Journal of the Korean Chemical Society
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• v.37 no.1
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• pp.49-54
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• 1993

The effects of added alcohols on the critical micelle concentration(CMC) of cetylpyridinium bromide(CPB) were investigated by the UV-Vis spectrophotometer at the temperature range of 8∼45$^{\circ}C$. The CMC of CPB was increased with the addition of methanol in the whole temperature region studied, while decreased with the addition of ethanol and propanol. The increase of CMC with the addition of methanol may be attributable to the increasing solvent power of the methanol-water mixture, because methanol was scarcely solubilized into the palisade layer of the micelle of CPB. The decrease of CMC with the inclusion of ethanol and propanol may be derived from the solubilization of alcohols into the micelles. On the other hand, the CMC was decreased with the temperature rise in the low-temperature region below about 25$^{\circ}C$, and the CMC was increased in the high-temperature region above that. The thermodynamic parameters (${\Delta}G_M^{\circ},\;{\Delta}H_M^{\circ},\;and\;{\Delta}S_M^{\circ}$) of the micellization of CPB were obtained in some aqueous alcohol solutions. In the whole temperature region (8∼45$^{\circ}C$), the values of ${\Delta}G_M^{\circ}$ were negative, while those of ${\Delta}S_M^{\circ}$ were positive. And in the temperature region below about 25$^{\circ}C$ the ${\Delta}H_M^{\circ}$ values were positive, while in the temperature region above that the values were negative.

• Bulletin of the Korean Chemical Society
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• v.31 no.6
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• pp.1519-1526
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• 2010

The behavior of peptide or protein solutes in saline aqueous solution is a fundamental topic in physical chemistry. Addition of ions can strongly alter the thermodynamic and physical properties of peptide molecules in solution. In order to study the effects of added ionic salts on protein conformation and dynamics, we have used the molecular dynamics (MD) simulations to investigate the behavior of Staphylococcus aureus Hfq protein under two different ionic concentrations: 0.1 M NaCl and 1.0 M NaCl in presence and absence of RNA (a hepta-oligoribonucleotide AU5G). Hfq, a global regulator of gene expression is highly conserved and abundant RNA-binding protein. It is already reported that in vivo the increase of ionic strength results in a drastic reduction of Hfq affinity for $Q{\beta}$ RNA and reduces the tendency of aggregation of Escherichia coli host factor hexamers. Our results revealed the crucial role of 0.1 M NaCl Hfq system on the bases with strong hydrogen bonding interactions and by stabilizing the aromatic stacking of Tyr42 residue of the adjacent subunits/monomers with the adenine and uridine nucleobases. An increase in RNA pore diameter and weakened compactness of the Hfq-RNA complex was clearly observed in 1.0 M NaCl Hfq system with bound RNA. Aggregation of monomers in Hfq and the interaction of Hfq with RNA are greatly affected due to the presence of high ionic strength. Higher the ionic concentration, weaker is the aggregation and interaction. Our results were compatible with the experimental data and this is the first theoretical report for the experimental study done in 1980 by Uhlenbeck group for the present system.

• Journal of the Korean Electrochemical Society
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• v.1 no.1
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• pp.33-39
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• 1998

To AC impedance study was performed in this study on the interfacial reaction between organic electrolyte and amorphous tungsten oxides thin film, cathodically coloring oxide, prepared by e-beam evaporation method in the 1 M $LiClO_4/PC$ organic solution. The electrochemical reactions at the interface were analyzed by the transient method and the complex impedance spectroscopy. The impedance spectrums showed that the electro-chemical intercalation of lithium cations was consisted of the following three steps; the first step, the charge transfer reaction of lithium cation at the interface between amorphous tungsten oxides thin film and the organic electrolyte, the second step, the adsorption of lithium atom on the surface of amorphous tungsten oxides thin film, and then the third step, the absorption and the diffusion of lithium atom into amorphous tungsten oxides thin layer. The bleaching and the coloring characteristics of amorphous tungsten oxides thin film were explained in terms of thermodynamic and kinetic variables, the simulated $R_{ct},\;C_{dl},\;D$ and $\sigma_{Li}$ by CNLS fitting method. Especially it was found that the limiting values of electrochromic reaction were the molar ratio of lithium, y=0.167 and the electrode potential, E=2.245 V (vs. Li).

• Korean Chemical Engineering Research
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• v.51 no.5
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• pp.587-590
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• 2013

Solid-liquid equilibria for mixtures composed of n-vinyl-2-pyrrolidone (NVP) and 2-pyrrolidone were measured as a basic study for the melt crystallization process to remove 2-pyrrolidone as impurity included in NVP. A differential scanning calorimeter (DSC) and a crystallizer were used and the experimental results obtained from two methods were similar. The mixture showed a eutectic system which has a single composition at the minimum melting temperature. Calculation results from simple thermodynamic equations were found in general agreements with present data. To determine the growth rate of NVP crystal which is important for the design of crystallization process, thicknesses of the crystal were measured with the time using a layer melt crystallizer. The growth rates increased as cooling temperatures decreased. Heat transfer coefficient correlated from present data was found to successfully describe the crystal growth behavior.

• Resources Recycling
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• v.11 no.6
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• pp.38-46
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• 2002

Fundamental investigations were conducted far the recovery process of waste organic solvent by fractional distillation in the aspects of equilibrium and kinetics. Mixture of toluene and xylene, which were both being used in the largest amount as industrial organic solvent, was taken as the artificial waste organic solvent and their distillation behaviors were studied. The purity of recovered solvent was investigated by Cir Chromatography and shown to be in the range of 94～98%. Based upon equilibrium calculations, the changes in the Gibbs free energy, standard enthalpy, and standard entropy for distillation reaction have been estimated. The standard enthalpy changes for toluene and xylene were shown to be 44.833 and 47.044 kJ $mol^{-1}$ respectively, which were similar to their molar heats of evaporation. The activation energies of distillation fur toluene and xylene obtained from kinetic studies were 3.281 and 2.699 kJ $mol^{-1}$ and they were about one tenths of the standard enthalpy changes of distillation reaction. The highness of the purity of recovered organic solvents suggested the possibility that the recovered waste organic sol-vent could partly replace the original solvent.

• Resources Recycling
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• v.22 no.5
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• pp.13-19
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• 2013

The effect of pH on the citrate leaching behavior of heavy metal ion was investigated to develop an eco-friendly process for removing heavy metals from soil contaminated with copper, zinc, and lead. The leaching tests were performed using citrate solution with pH adjusted by mixing citric acid and sodium citrate under the following leaching conditions: particle size, under $75{\mu}m$; temperature, $50^{\circ}C$; citrate concentration, $1kmol/m^3$; pulp density, 5%; shaking speed, 100 rpm; leaching time, 1 hour. The difference of pH before and after the leaching test was not observed, and this result indicates the direct effect of hydrogen ion concentration on the leaching of metals was insignificant. The removal ratios of copper, zinc, and lead from the contaminated soil decreased with increasing pH. The thermodynamic calculation suggests that the leaching behaviors of metal ions were determined by two reactions; one is the reaction to form complex ions between heavy metal ions and citrate ion species, and the other is the reaction to form metal hydroxide between heavy metal ions and hydroxide ion.

• Resources Recycling
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• v.27 no.2
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• pp.24-31
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• 2018

In this study, waste ITO target is dissolved into hydrochloric acid to generate a complex indium-tin chloride solution. Nano sized ITO powder with an average particle size below 30 nm are generated from these raw material solutions by spray pyrolysis process. Also, in this study, thermodynamic equations for the formation of indium-tin oxide (ITO) are established. As the reaction temperature increased from $800^{\circ}C$ to $900^{\circ}C$, the proportion and size of the spherical droplet shape in which nano sized particles aggregated gradually decreased, and the surface structure gradually became densified. When the reaction temperature was $800^{\circ}C$, the average particle size of the generated powder was about 20 nm, and no significant sintering was observed. At a reaction temperature of $900^{\circ}C$, the split of the droplet was more severe than at $800^{\circ}C$, and the rate of maintenance of the initial atomized droplet shape decreased sharply. The average particle size of the powder formed was about 25 nm. The ITO particles were composed of single solid crystals, regardless of reaction temperature. XRD analysis showed that only the ITO phase was formed. Remarkably, the specific surface area decreased by about 30% as the reaction temperature increased from $800^{\circ}C$ to $900^{\circ}C$.

• Journal of the Korean Chemical Society
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• v.55 no.2
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• pp.208-217
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• 2011

The effects of pH and temperature on the removal of two dyes (neutral red; NR and malachite green oxalates; MG) from aqueous effluents using Maghnia montmorillonite clay in a batch adsorption process were investigated. The results showed the stability of the optical properties of MG in aqueous solution and adsorbed onto clay under wide range of pH 3-9. However, the interaction of NR dye with clay is accompanied by a red shift of the main absorption bands of monomer cations under pH range of 3-5, whereas, those of neutral form remains nearly constant over the pH range of 8-12. The optimal pH for favorable adsorption of the dyes, i.e. ${\geq}$90% has been achieved in aqueous solutions at 6 and 7 for NR and VM respectively. The most suitable adsorption temperatures were 298 and 318 K with maximum adsorption capacities of 465.13mg/g for NR and 459.89 mg/g for MG. The adsorption equilibrium results for both dyes follow Langmuir, Freundlich isotherms. The numerical values of the mean free energy $E_a$ of 4.472-5.559 kj/mol and 2.000-2.886 kj/mol for NR and MG respectively indicated physical adsorption. Various thermodynamic parameters, such as ${\Delta}H^{\circ}$, ${\Delta}S^{\circ}$, ${\Delta}G^{\circ}$ and Ea have been calculated. The data showed that the adsorption process is spontaneous and endothermic. The sticking probability model was further used to assess the potential feasibility of the clay mineral as an alternative adsorbent for organic ion pollutants in aqueous solution.

• Clean Technology
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• v.18 no.1
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• pp.76-82
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• 2012

The paper includes utlization of zeolite as potential adsorbent to remove a hazardous malachite green from waste water. The adsorption studies were carried out at 298, 308 and 318 K and effects of temperature, contact time, initial concentration on the adsorption were measured. On the basis of adsorption data Langmuir and Freundlich adsorption isotherm model were also confirmed. The equilibrium process was described well by Freundlich isotherm model, showing a selective adsorption by irregular energy of zeolite surface. From determined isotherm constants, zeolite could be employed as effective treatment for removal of malachite green. From kinetic experiments, the adsorption process followed the pseudo second order model, and the adsorption rate constant ($k_2$) decreased with increasing initial concentration of malachite green. Thermodynamic parameters like activation energy, change of free energy, enthalpy, and entropy were also calculated to predict the nature adsorption. The activation energy calculated from Arrhenius equation indicated that the adsorption of malachite green on the zeolite was physical process. The negative free energy change (${\Delta}G^{\circ}$ =-6.47~-9.07 kJ/mol) and the positive enthalpy change (${\Delta}H^{\circ}$ = +32.414 kJ/mol) indicated the spontaneous and endothermic nature of the adsorption in the temperature range 298~318 K.

• Elastomers and Composites
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• v.37 no.2
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• pp.79-85
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• 2002

Ethyl-branched polyethylene [PE(2)] containing 2mole% ethyl branch and three ethylene-propylene rubbers (EPR's) having the same ethylene(E)-propylene(P) molar ratio(E/P=50/50) with different stereoregularity, that is, random EPR (r-EPR), alternating-EPR (alt-EPR) and isotactic-alternating-EPR (iso-alt-EPR) were mixed for the investigation or their properties depending on the stereoregularity. Crystallinity of the prepared blends decreased with increasing content of amorphous EPR because of a decrease in both the degree of annealing and kinetics of diffusion of the crystallizable polymer content. With blend composition, crystallinity was reduced with the stereoregularity in EPR. The thermodynamic interaction parameter(x) for the three blend systems approximately equals to zero near the melting point. These systems were determined to be miscible on a molecular scale near or above the crystalline melting point or the crystalline PE(2). From the measurement of $T_m$ vs. $T_c$, the behavior of PE(2) is mainly due to a diluent effect of EPR component. The spherulite size measured by small angle light scattering (SALS) technique depended upon blend composition, and stereoregularity of EPR. The size of spherulite was enlarged with the content of rubbery EPR and the decrease of stereoregularity in EPR.