• Clean Technology
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• v.22 no.4
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• pp.241-249
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• 2016

In this study, comparative work has been performed between two-columns and three-columns configurations for an extractive distillation process to produce highly purified ethanol with not less than 99.7 wt% using dimethyl sulfoxide (DMSO) and ethylene glycol (EG) as extracting agents. Optimal ethanol concentration at a concentrator top stream which minimized the total reboiler heat duties was determined for a three-columns configuration for two different solvents. For the thermodynamic model, NRTL liquid activity coefficient model was used and PRO/II with PROVISION 9.4 at Schneider electric company was utilized. DMSO was proved to be a better solvent than EG and three-columns configuration is better than two- columns configuration in the total utility consumptions since some of the liquid water contained in the feed stream was removed at a concentrator bottom liquid stream.

• Journal of Pharmaceutical Investigation
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• v.34 no.6
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• pp.443-452
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• 2004

Habit is the description of the outer appearance of a crystal. If the environment of a growing crystal affects its external shape without changing its internal structure, a different habit results. Crystal habit and the internal structure of a drug can affect bulk and physicochemical properties, which range from flowability to chemical stability. A polymorph is a solid crystalline phase of a given compound resulting from the possibility of at least two different arrangements of the molecules of that compound in the solid state. Chemical stability and solubility changes due to polymorphism can have an impact on a drug's bioavailability and its development program. During crystallization from a solution, crystals separating may consist of a pure component or be a molecular compound. Solvates are molecular complexes that have incorporated the crystallizing solvent molecule in their lattice. When the solvent incorporated in the solvate is water, it is called a hydrate. To distinguish solvates from polymorphs, which are not molecular compounds, the term pseudopolymorph is used. Identification of possible hydrate compounds is important since their aqueous solubilities can be significantly less than their anhydrous forms. Conversion of an anhydrous compound to a hydrate within the dosage form may reduce the dissolution rate and extent of drug absorption. An amorphous solid may be treated as a supercooled liquid in which the arrangement of molecules is random. Amorphous solids lack the three-dimensional long-range order found in crystalline solids. Since amorphous forms are usually of higher thermodynamic energy than corresponding crystalline forms, solubilities as well as dissolution rates are generally greater. A study on crystal form includes characterization of (l)crystal habit, (2)polymorphism, (3)pseudopolymorphism, (4)amorphous solid.

• Analytical Science and Technology
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• v.7 no.4
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• pp.505-515
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• 1994

$^1H$ NMR spectra for monocyanide ligated ferriprotoporphyrin(hemin) complex and dicyanide coordinated hemin complex in dimethylsulfoxide(DMSO-$d_6$) solution have been recorded and analyzed. NMR spectra of hemin-cyanide complexation in DMSO-$d_6$ exhibit that the cyanide ligation to hemin is temperature-dependent. Thermodynamic parameters for the monocyanide ligated hemin to dicyanide ligated hemin are consistent with endothermic process with ${\Delta}H^{\circ}=736.6cal/mol$ and ${\Delta}S^{\circ}=16.4eu$. Detailed analysis of the anomalous deviation from Curie behavior for CN/DMSO coordinated hemin complex demonstrates the presence of a high spin character, and this weaker axial field relative to the purely low-spin dicyanide hemin complex is supposed to attribute to instantaneously ruptured iron-DMSO bond. This complex may serve as a useful model to characterize electronic/molecular structure of hemoproteins, which one of axial ligands is weak.

• Resources Recycling
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• v.17 no.1
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• pp.59-65
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• 2008

The adsorption features of nickel ion in wastewater on manganese dioxide from spent batteries were investigated for its usage as an adsorbent. The aquatic behavior of nickel ion was characterized by MINTEQ program and the considered influential variables on the adsorption of nickel ion were its initial concentration, reaction temperature, the amount of adsorbent, and pH. The adsorption ratio of nickel ion decreased with increasing its initial concentration and thermodynamic estimation has been carried out based on the adsorption characteristics of nickel ion depending on temperature. In addition, the adsorption of nickel ion was shown to be promoted according to the amount of manganese dioxide and a lot of nickel ions were adsorbed as the solution pH was raised.

• Korean Journal of Chemical Engineering
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• v.35 no.12
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• pp.2384-2393
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• 2018

Porous alginate-based hydrogel beads (porous ABH) have been prepared through a facile and sustainable template-assisted method using nano-calcium carbonate and nano-$CaCO_3$ as pore-directing agent for the efficient capture of methylene blue (MB). The materials were characterized by various techniques. The sorption capacities of ABH towards MB were compared with pure sodium alginate (ABH-1:0) in batch and fixed-bed column adsorption studies. The obtained adsorbent (ABH-1:3) has a higher BET surface area and a smaller average pore diameter. The maximum adsorption capacity of ABH-1:3 obtained from Langmuir model was as high as $1,426.0mg\;g^{-1}$. The kinetics strictly followed pseudo-second order rate equation and the adsorption reaction was effectively facilitated, approximately 50 minutes to achieve adsorption equilibrium, which was significantly shorter than that of ABH-1:0. The thermodynamic parameters revealed that the adsorption was spontaneous and exothermic. Thomas model fitted well with the breakthrough curves and could describe the dynamic behavior of the column. More significantly, the uptake capacity of ABH-1:3 was still higher than 75% of the maximum adsorption capacity even after ten cycles, indicating that this novel adsorbent can be a promising adsorptive material for removal of MB from aqueous solution under batch and continuous systems.

• Korean Journal of Materials Research
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• v.31 no.9
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• pp.525-531
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• 2021

Carbon-encapsulated Ni catalysts are synthesized by an electrical explosion of wires (EEW) method and applied for CO₂ methanation. We find that the presence of carbon shell on Ni nanoparticles as catalyst can positively affect CO₂ methanation reaction. Ni@5C that is produced under 5 % CH₄ partial pressure in Ar gas has highest conversions of 68 % at 350 ℃ and 70 % at 400 ℃, which are 73 and 75 % of the thermodynamic equilibrium conversion, respectively. The catalyst of Ni@10C with thicker carbon layer shows much reduced activity. The EEW-produced Ni catalysts with low specific surface area outperform Ni catalysts with high surface area synthesized by solution-based precipitation methods. Our finding in this study shows the possibility of utilizing carbon-encapsulated metal catalysts for heterogeneous catalysis reaction including CO₂ methanation. Furthermore, EEW, which is a highly promising method for massive production of metal nanoparticles, can be applied for various catalysis system, requiring scaled-up synthesis of catalysts.

• Journal of Korean Society on Water Environment
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• v.35 no.2
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• pp.123-130
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• 2019

Ethylenediaminetetraacetic acid-modified bentonite (EMB) was used for adsorption of zinc ion (Zn) from aqueous solution, compared with unmodified bentonite (UB). Parameters such as dose (0.750 ~ 3.125 g/L), mixing intensity (10 ~ 150 rpm), contact time (0.17 ~ 30 min), pH (2 ~ 7), and temperature (298 ~ 338 K), were studied. Zn removal efficiency for EMB was 20 ~ 30 % higher, than that for UB, in all experiments. Thermodynamic studies demonstrated that adsorption process was spontaneous with Gibb's free energy (${\Delta}G$) values, ranging between -5.211 and -7.175 kJ/mol for EMB, and -0.984 and -2.059 kJ/mol for UB, and endothermic with enthalpy (${\Delta}H$) value of 9.418 kJ/mol for EMB and 7.022 kJ/mol for UB. Adsorption kinetics was found to follow the pseudo-second order kinetics model, and its rate constant was 3.41 for EMB and $2.00g/mg{\cdot}min$ for UB. Adsorption equilibrium data for EMB were best represented by the Langmuir adsorption isotherm, and calculated maximum adsorption capacity was 2.768 mg/g. It was found that the best conditions for Zn removal of EMB within the range of operation used, were 3.125 g/L dose, 90 rpm intensity, 10 min contact time, pH 4, and 338 K. Therefore, EMB has good potential for adsorption of Zn.

• Applied Chemistry for Engineering
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• v.30 no.2
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• pp.190-197
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• 2019

The adsorption of methyl green dye using an activated carbon from an aqueous solution was investigated. Adsorption experiments were carried out as a function of the adsorbent dose, initial concentration, contact time and temperature. The Langmuir isotherm model showed a good fit to the equilibrium adsorption data. Based on the estimated Langmuir separation factor, ($R_L=0.02{\sim}0.106$), this process could be employed as the effective treatment (0 < $R_L$ < 1). It was found that the adsorption was a physical process with the adsorption energy (E) value range between 316.869 and 340.049 J/mol obtained using Dubinin-Radushkevich equation. The isothermal saturation capacity obtained from brunauer emmett teller (BET) model increased with increasing the temperature. The kinetics of adsorption followed a pseudo second order model. The free energy and enthalphy values of -5.421~-7.889 and 31.915 kJ/mol, respectively indicated that the adsorption process follows spontaneous endothermic reaction. The isosteric heat of adsorption increased with the increase of equilibrium adsorption amounts, and the total interaction of the adsorbent - adsorbate increased as the surface coverage increased.

• Applied Chemistry for Engineering
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• v.22 no.5
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• pp.473-478
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• 2011

The interaction of para-halogenated benzoic acid isomers with the micellar system of tetradecyltrimethylammonium bromide was studied by the UV/Vis spectrophotometric method. The solubilization constants ($K_s$) of benzoic acid isomers into the micellar system of TTAB and the critical micelle concentration (CMC) of TTAB have been measured with the change of temperature. Various thermodynamic parameters have been calculated and analyzed from those measurement. The results show that the values of ${\Delta}G^{\circ}{_s}$ for the solubilization of all isomers are negative and the values of ${\Delta}H^{\circ}{_s}$ and ${\Delta}S^{\circ}{_s}$ are all positive within the measured temperature range. The effects of additives (n-butanol and NaCl) on the solubilization of benzoic acid isomers have been also measured. There was a great decrease on the values of $K_s$ and CMC simultaneously with these additives. From these changes we can postulate that the solubilization sites of each isomers in the TTAB micellar system are the surface or the palisade region of the micelle.

• Korean Journal of Metals and Materials
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• v.48 no.3
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• pp.194-202
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• 2010

Application of a stronger and more durable material for reactor pressure vessels (RPVs) might be an effective way to insure the integrity and increase the efficiency of nuclear power plants. A series of research projects to apply the SA508 Gr.4 steel in ASME code to RPVs are in progress because of its excellent strength and durability compared to commercial RPV steel (SA508 Gr.3 steel). In this study, the microstructural characteristics and mechanical properties of SA508 Gr.3 Mn-Mo-Ni low alloy steel and SA508 Gr.4N Ni-Mo-Cr low alloy steel were investigated. The differences in the stable phases between these two low alloy steels were evaluated by means of a thermodynamic calculation using ThermoCalc. They were then compared to microstructural features and correlated with mechanical properties. Mn-Mo-Ni low alloy steel shows the upper bainite structure that has coarse cementite in the lath boundaries. However, Ni-Mo-Cr low alloy steel shows the mixture of lower bainite and tempered martensite structure that homogeneously precipitates the small carbides such as $M_{23}C_6$ and $M_7C_3$ due to an increase of hardenability and Cr addition. In the mechanical properties, Ni-Mo-Cr low alloy steel has higher strength and toughness than Mn-Mo-Ni low alloy steel. Ni and Cr additions increase the strength by solid solution hardening. In addition, microstructural changes from upper bainite to tempered martensite improve the strength of the low alloy steel by grain refining effect, and the changes in the precipitation behavior by Cr addition improve the ductile-brittle transition behavior along with a toughening effect of Ni addition.