• Journal of the Korean Chemical Society
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• v.53 no.6
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• pp.663-670
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• 2009

Performing random number simulations, we obtained an approximate distribution of the number of ways arranging molecules in a binary lattice solution of nonrandom mixing with a specific interaction. From the distribution an approximate equation of excess Gibbs energy for a binary lattice solution was derived. Using the equation, liquid-vapor equilibrium at constant pressure for 15 binary solutions were calculated and compared with the result from Wilson equation, Van Laar equation and Redlich-Kister equation.

• Journal of the Korean Society of Propulsion Engineers
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• v.2 no.3
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• pp.90-98
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• 1998

The vaporization process of liquid oxygen(LOX) at high pressure environment is numerically investigated. The present vaporization model can account for the high-pressure effects such as ambient gas solubility, real gas behavior and variable properties. The predicted phase-equilibrium compositions for $N_2$/$H_2$ and $O_2$/He system are well agreed with experimental data. The LOX vaporization characteristics is parametrically studied for wide range of the operating conditions encountered in the high-pressure combustion process of liquid rocket engine.

• Journal of Industrial Technology
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• v.18
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• pp.267-275
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• 1998

Continuous thermodynamics has been applied for modeling of phase equilibria in multicomponent mixtures, to avoid disadvantages of the pseudo-component and key-component method. In this paper continuous thermodynamic relations formulated by using the Pate-Teja equation of state were adopted for calculations of phase equilibria in natural gas mixtures, crude oil mixtures and mixtures extracted by supercritical $CO_2$ fluids. Calculations of phase equilibria were performed by two procedures ; a moment method coupled with the beta distribution function and a quadrature method combined with Gaussian-Legendre polynomials. Calculated results were compared with experimental data. It was showed that continuous thermodynamic frameworks considered in this paper were well-matched to experimental data.

• Journal of Industrial Technology
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• v.11
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• pp.3-16
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• 1991

The lattice-fluid theory are adopted for modeling the phese equilibria in supercritical fluids, In order to investigate effects of the nonrandom distribution of holes in mixtures on the phase equilibria, the equation of state and the chemical potential of the binary miture are formulated with taking into account nonrandomness of holes distributions in the fluid mixture. The relations of phase equilibria formulated in this work are tested through predictions of solubility of heavy solids in supercritical fluids and predictions of high pressure phase equilibria of binary mixtures. Results obtained exhibit that the lattice fluid model with assumptions of nonrandomness of hole distributions is successful in quantatively mideling the phase equilibria of mixtures of molecules of dissimilar sizes, specifically solids-supercritical fluid mixtures.

• KOREAN JOURNAL OF PACKAGING SCIENCE & TECHNOLOGY
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• v.9 no.1
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• pp.19-24
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• 2003

We study on the phase diagram of the polymer blend. For this purpose, one PS (polystyrene) and two PI(polyisoprene) were employed whose molecular weights were low enough to make the experimental determinations possible. The weight-average molecular weight(Mw) of PS was 2514, and Mws of two PIs were 2700. Interaction energy density (IED) of the Flory-Huggins lattice theory was defined as a function of temperature and composition, and the consequent equations for the binodal, and critical points were derived. By fitting the experimental binodal points to the derived binodal curve with a nonlinear regression method, the expression for the IED was determined. And the expression for the IED obtained from this study was compared with those reported in the literatures. Also were discussed the importance of accuracy in the expression the IED, and the IED's dependency on the temperature, composition and molecular weights.

• Journal of the Korean Society of Groundwater Environment
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• v.5 no.1
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• pp.37-43
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• 1998

Batch experiments were conducted to study the dissolution behavior of gasoline components. First, the dissolution kinetics of gasoline components and the applicability of Raoult's law in predicting their solubilities were investigated. In addition, the effects of compositional change of gasoline due to evaporization on the solubilities of individual components and TPH were determined. The kinetics of gasoline-water man transfer was found to be very similar for most components except for MTBE, which is a major additive for commercial gasoline. At equilibrium, the gasoline-water partitioning coefficients of individual components showed a log-linear relationship with their pure solubilities, though the slope was a little less than that predicted by Raoult's law. The concentrations of the individual components in the gasolines concentrated by volatilization could be characterized by the initial increase followed by substantial decrease. Almost the same behavior was observed for their solubilities. The total solubility (TPH) of gasoline decreased rapidly with the initial volume reduction and gradually decreased afterwards. The solubilities of BTEX, the major regulatory compounds, decreased even faster than the TPH solubilities. It was concluded that the compositional change of gasoline by volatilization may greatly affect their leaching potential and the toxicity of the contacting groundwater. The toxicity reduction efficiency by evaporating gasoline could be much more than the mass removal efficiency.

• Analytical Science and Technology
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• v.27 no.2
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• pp.79-91
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• 2014

Solubility data of carbon dioxide ($CO_2$) in 1-butyl-3-methylpiperidinium bis(trifluoromethylsulfonyl)imide ($[bmpip][Tf_2N]$) ionic liquid are presented at pressures up to about 30 MPa and at temperatures between 303 K and 343 K. As far as we know, the data on the $CO_2$ solubility in the $[bmpip][Tf_2N]$ ionic liquid have never been reported in the literature by other investigators. The solubilities of $CO_2$ were determined by measuring the bubble point or cloud point pressures of the $CO_2+[bmpip][Tf_2N]$ mixtures with various compositions using a high-pressure equilibrium apparatus equipped with a variable-volume view cell. To observe the effect of the cation composing the ionic liquid on the $CO_2$ solubility, the $CO_2$ solubilities in $[bmpip][Tf_2N]$ used in this study were compared with those in 1-butyl-3-methylimidazolium bis(trifluoromethylsulfonyl)-imide ($[bmim]Tf_2N]$). As the equilibrium pressure increased, the $CO_2$ solubility in $[bmpip][Tf_2N]$ increased sharply. On the other hand, the $CO_2$ solubility decreased with increasing temperature. The mole fraction-based $CO_2$ solubilities were almost the same for both $[bmpip][Tf_2N]$ and $[bmim][Tf_2N]$, regardless of temperature and pressure. The phase equilibrium data for the $CO_2+[bmpip][Tf_2N]$ systems have been correlated using the Peng-Robinson equation of state.

• Korean Chemical Engineering Research
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• v.46 no.2
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• pp.330-339
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• 2008

Effect of additives such as NP series nonionic surfactant and cosurfactant on AgCl nanoparticles was investigated where nanoparticles were prepared using two different types of water-in-oil (W/O) microemulsions containing silver nitrate and sodium chloride, respectively. Phase behavior experiments showed that the region of one phase W/O microemulsion was found to be broadened with an increase in the ethylene oxide length of a nonionic surfactant mainly due to an increase in hydrophilic nature of a surfactant. Photomicrographs obtained by transmission electron microscopy indicated that an increase in ethylene oxide length of a nonionic surfactant results in both increases in particle size and size distribution. Phase behavior experiments for the systems containing AOT surfactant, isooctane and aqueous solution of an inorganic salt showed that addition of a cosurfactant caused a shrinkage in phase region of one phase W/O microemulsion, especially water contents contained in W/O microemulsion with an increase in the chain length or the concentration of a cosurfactant used. Photomicrographs obtained by transmission electron microscopy indicated that characteristics of AgCl nanoparticles produced were dependent both on the radius of spontaneous curvature and film rigidity of a microemulsion.

• Korean Chemical Engineering Research
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• v.55 no.3
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• pp.353-357
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• 2017

In this study, the inclusion phenomena of tetrahydrofuran + 3-hydroxytetrahydrofuran + $CH_4$ clathrate hydrates were explored via thermodynamic and spectroscopic approaches. The phase equilibria of the double hydrates - THF + $CH_4$ and 3-OH THF + $CH_4$ clathrate hydrates - were determined by pressure-temperature trace during hydrate formation and dissociation, and the result revealed that the equilibrium pressures were shifted to lower pressure region compared to pure $CH_4$ hydrate. The powder X-ray diffraction patterns revealed that the double hydrates of THF + 3-OH THF formed structure II type clathrate hydrates with $CH_4$. The dispersive Raman spectra of the double clathrate hydrates also exhibited that $CH_4$ can be trapped in both $5^{12}6^4$ and $5^{12}$ cages whereas THF and 3-OH THF were encaged in $5^{12}6^4$ cage.

• Applied Chemistry for Engineering
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• v.26 no.6
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• pp.719-724
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• 2015

Isoliquiritigenin (ILG) is a hydrophobic component in licorice and has a variety of pharmaceutical and biological activities. In this study, we prepared an isoliquiritigenin-hydroxypropyl-${\beta}$-cyclodextrin (ILG/HP-${\beta}$-CD) complex by freeze-drying method to enhance its water solubility. The complex was characterized by phase solubility studies, DSC, SEM, and 1H NMR. Antimicrobial activities against Staphylococcus aureus (S. aureus) and Escherichia coli (E. coli) were evaluated by broth dilution method. The results showed that the stoichiometry of ILG/HP-${\beta}$-CD complex was 1 : 1. The antimicrobial activity of ILG/HP-${\beta}$-CD complex was higher than that of using free ILG against S. aureus and E. coli. Therefore, we suggest that ILG/HP-${\beta}$-CD complex may be used as a natural antiseptic and could potentially replace synthetic preservatives in cosmetic and food industries.