• Bulletin of the Korean Chemical Society
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• v.32 no.6
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• pp.1985-1992
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• 2011

The stable conformers of glycine and the inter-conversions between them were studied theoretically at various levels of theory, B3LYP, MP2, CCSD and CCSD(T), in the gas phase and in aqueous solution. In aqueous solution, the structures examined by use of the conductor-like polarizable continuum model (CPCM) with various cavity models, UA0, UAHF, UAKS, UFF, BONDI and PAULING, and by use of a discrete/continuum solvation model with eight water clusters. The Gibbs free energy differences between the neutral (NE) and zwitterionic conformers (ZW), ${\Delta}G_{Z-N}[=G_{ZW}-G_{NE}]$, in aqueous solution were well reproduced by using the BONDI and PAULING cavity models. However the ${\Delta}G_{Z-N}$ values were underestimated in other cavity models, although the ZW conformers existed as stable species in aqueous solution. In the studies of a discrete/continuum solvation model with eight water clusters, gas phase results are still insufficient to reproduce the experimental findings. However the ${\Delta}G_{Z-N}$ values calculated by use of CPCM method in aqueous solution agreed well with the experimental ones.

• Bulletin of the Korean Chemical Society
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• v.29 no.3
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• pp.555-561
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• 2008

In air stripping of ammonia from the aqueous solution, a new removal model was presented considering the equilibrium principles for the ammonia in aqueous solution and between the aqueous and air phase. The effects of pH, temperature and airflow rate on the ammonia removal were evaluated with the model. In addition, the saturation degree of ammonia in air was defined and used to evaluate the effect of each experimental factor on the removal rate. As pH (8.9 to 11.9) or temperature (20 to 50 oC) was increased, the overall removal rate constants in all cases were appeared to be increased. Our presented model shows that the degrees of saturation were about the same (0.45) in all cases when the airflow condition remains the same. This result indicates that the effect of pH and temperature were directly taken into consideration in the model equation. As the airflow increases, the overall removal rate constants were increased in all cases as expected. However, the saturation degree was exponentially decreased with increasing the airflow rate in the air phase (or above-surface) aeration. In the subsurface aeration the saturation degree remains a constant value of 0.65 even though the airflow rate was increased. These results indicate that the degree of saturation is affected mainly by the turbulence of the aqueous solution and remains the same above a certain airflow rate.

• Geomechanics and Engineering
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• v.29 no.3
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• pp.259-267
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• 2022

The rheological and penetration characteristics of sodium alginate and xanthan gum aqueous solutions were analyzed for the development of biopolymer-based injection materials. The results of viscosity measurements for the rheological characteristics analysis show that all aqueous biopolymer solutions exhibit a tendency for shear-thinning, i.e., the apparent viscosity decreases as the shear rate increases. In addition, a regression analysis using several models (Power-law, Casson, Sisko, and Cross) was applied to the shear-thinning fluid analysis results, the highest accuracy was determined by applying the power-law model. The micromodel experiment for the penetration characteristics analysis determined that all biopolymer aqueous solutions show higher pore saturation than water, and that pore saturation tends to increase as the flow rate and concentration increases. When comparing the rheological and penetration characteristics of the biopolymer aqueous solution used in this study, the xanthan gum aqueous solution showed a fully developed shear-thinning tendency, unlike the sodium alginate aqueous solution. This tendency is considered to have the advantage of enhancement injectability and pore saturation.

• Korea-Australia Rheology Journal
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• v.18 no.3
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• pp.133-141
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• 2006

Carbon dioxide was absorbed into the aqueous nanometer sized colloidal silica solution of 0-31 wt% and 2-amino-2-methyl-1-propanol of $0-2kmol/m^3$ in a flat-stirred vessel with the impeller of various sizes and speeds at $25^{\circ}C$ and 0.101 MPa to measure the absorption rate of $CO_2$. The volumetric liquid-side mass transfer coefficient$(k_La)\;of\;CO_2$ was used to obtain the empirical correlation formula containing the rheological behavior of the aqueous colloidal silica solution. Reduction of the measured $k_La$ was explained by the viscoelastic properties of the aqueous colloidal silica solution. The theoretical value of the absorption rate of $CO_2$ was estimated from the model based on the film theory accompanied by chemical reaction and compared with the measured value.

• Journal of Environmental Science International
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• v.7 no.4
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• pp.541-548
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• 1998

Aqueous phase adsorption of phenols by granular activated carbon was studied in a batch adsorption vessel. Adsorption Isotherms of phenol(Ph), p-chlorophenol(PCP) and p-nitrophenol (PNP) from aqueous solution on granular activated carbon have been obtained. The experimental data were analyzed by the surface and pore diffusion models. Both models could be applied to predict the adsorption phenomena. However, the pore diffusion model was slightly better than the surface diffusion model In representing the experimental data for the initial concentration changes. Therefore, the pore diffusion model was used to predict the change of operating variables such as the agitation speed and Particle size of adsorbent which have influence on the film resistance and intraparticle diffusion.

• Carbon letters
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• v.23
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• pp.30-37
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• 2017

Dyes are widely used in various industries including textile, cosmetic, paper, plastics, rubber, and coating, and their discharge into waterways causes serious environmental and health problems. Four different carbon nanostructures, graphene oxide, oxidized multi-walled carbon nanotubes, activated carbon and multi-walled carbon nanotubes, were used as adsorbents for the removal of Nile Blue A (NBA) dye from aqueous solution. The four carbon nanostructures were characterized by scanning electron microscope and X-ray diffractometer. The effects of various parameters were investigated. Kinetic adsorption data were analyzed using the first-order model and the pseudo-second-order model. The regression results showed that the adsorption kinetics were more accurately represented by the pseudo-second-order model. The equilibrium data for the aqueous solutions were fitted to Langmuir and Freundlich isotherms, and the equilibrium adsorption of NBA was best described by the Langmuir isotherm model. This is the first research on the removal of dye using four carbon nanostructures adsorbents.

• Journal of the Korean Ceramic Society
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• v.36 no.9
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• pp.991-996
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• 1999

Effect of solution property on the weight varation and microstructural change of film was studied by electrophoretic deposition in order to obtain a homogeneous and dense zirconia film. As a result of weight kinetics of film which obtained in alcohol or aqueous solution having different polarity experimental data showed large deviation from theoretical ones calculated by Zhang's kinetic model. It had been shown that the weight affecting factors was largely dependent on properties other than dielectric constant and viscosity of solvent zeta potential appiled field and time. In initial stage a main factor of the drastic weight increase was the capillary drag of porous substrate. The cause of weight decrease with time in aqueous solution after 300 s was attributed to the defect of film by sagging and electrolytic reaction. The electrolyte film which prepared in alcohol solution with good wetting for substrate had better homogeneous and dense microstructure than one in aqueous solution with high surface tension.

• Journal of Environmental Science International
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• v.9 no.2
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• pp.159-164
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• 2000

For the purpose of development of a liquid membrane permeator which separates metal ions from aqueous solutions continuously and effectively, a continuous membrane permeator with the membrane solution trapped between extraction and stripping phases by two micro-porous hydrophilic films was manufactured. Experimental researches on the separation of zinc ion from aqueous solutions were performed in the liquid membrane permeator with 30 vol % D2EHPA solution in kerosine as liquid membrane. As results, the liquid membrane permeator separates zinc ion from aqueous solutions continuously and effectively in the wide range of operating conditions. A simple mass transfer rate model using equilibrium constant of the extraction reaction for the system used were proposed, and the model was compared with experimental results of separation of zinc ion in the permeator. And the effects of operating factors, such as space time, pH of extraction solution, extraction temperature, on the separation rate of zinc ion in the permeator were experimentally examined.

• Journal of the Korean Crystal Growth and Crystal Technology
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• v.13 no.2
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• pp.51-55
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• 2003

The interrelation into nucleation and thermodynamic parameters of solutions has been established by plotting of various dependencies: the enthalpy of dissolution, solubility product and super-solubility on ionic salt radii and also the extent of deviation from an ideal Debye -Huckel model of electrolyte solution on solubility product. The possible methods of perfect crystal growth from aqueous solution have been found a priori by separating of known set of pair values of solubility and super-solubility into no less than six-nine characteristic and distinctive sub-sets.

• Advances in environmental research
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• v.1 no.2
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• pp.143-151
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• 2012

Nitrate removal from aqueous solution was investigated using $ZnCl_2$ and phosphoric acid activated carbon developed from pomegranate peel with particle size 0.4 mm. Potassium nitrate solution was used in batch adsorption experiments for nitrate removal from water. The effects of activated carbon dosage, time of contact, and pH were studied. The equilibrium time was fond to be 45 min. Two theoretical adsorption isotherms namely Langmuir and Freundlich were used to describe the experimental results. The Langmuir fit the isotherm with the theoretical adsorption capacity ($q_t$) was fond 78.125 mg g-1. Adsorption kinetics data were modeled using the pseudo-first, pseudo-second order, and intraparticle diffusion models. The results indicate that the second-order model best describes adsorption kinetic data. Results show activated carbon produced from pomegranate is effective for removal of nitrate from aqueous solution.