• Proceedings of the Materials Research Society of Korea Conference
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• 2012.05a
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• pp.97.2-97.2
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• 2012

This study examined the utility of two zwitterions, nitrile-functionalized zwitterions and a zwitterion without a nitrile group (MF-ZI), were used as additives along with 1 M $LiPF_6$ in ethylene carbonate (EC):diethylene carbonate (DEC) (3:7 V/V) (E-0) to form an electrolyte solution for use in lithium ion batteries comprising graphite and $LiCoO_2$ electrodes. The presence of NF-ZI (E-NF-ZI) in the electrolyte produced an ion conductivity comparable to that of E-0 and higher than that of an electrolyte containing MF-ZI (E-MF-ZI). Linear sweep voltammetry data revealed that the intensity of the E-NF-ZI reduction peak was lower than that of E-0. Furthermore, the successful formation of an SEI layer in the E-NF-ZI over graphite was confirmed by cyclic voltammetry data. These results were attributed to the adsorption of NF-ZI on the electrode surface, as verified by differential capacity measurements.

• Bulletin of the Korean Chemical Society
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• v.35 no.2
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• pp.501-504
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• 2014

A thermoresponsive polymer, poly(2-(dimethylamino)ethyl methacrylate) (PDMAEMA), was successfully synthesized by atom transfer radical polymerization (ATRP). Different amounts of 1,3-propanesultone were used as quaternization agent to transit the PDMAEMA into partially modified poly(zwitterions), resulting in p[DMAEMA-co-3-dimethyl(methacryloyloxyethyl)ammonium propanesulfonate] (PDMAEMA-co-PDMAPS). Molecular weight, molecular weight distribution, and degree of quarternization were determined by gel permeation chromatography (GPC) and 1H NMR spectroscopy. The transmission spectra of the 1.0 wt % aqueous solutions of the resulting polymers at 650 nm were measured as a function of temperature. Results showed that the lower critical solution temperature (LCST) and the upper critical solution temperature (UCST) could be easily controlled by the different composition of dimethylamino and zwitterion groups. The effect of partial quaternization on thermoresponsive properties was also studied by dynamic light scattering (DLS) with the same aqueous concentration (1.0 wt %) as employed for turbidimetry studies. The LCST and UCST values measured by DLS correlated well with those determined by turbidimetry.

• Proceedings of the Korean Institute of Building Construction Conference
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• 2023.05a
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• pp.33-34
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• 2023

Corrosion of reinforcement steel is a major cause of deterioration in reinforced concrete (RC) structures. In order to protect these structures from corrosion, corrosion inhibitors are added to the concrete mix. In recent years, zwitterionic compounds have shown promising results as corrosion inhibitors in concrete due to their ability to form a protective layer on the surface of the reinforcement steel. The experimental study involves preparing concrete samples with different concentrations of adding the hybrid corrosion inhibitor at a high concentration of chloride ions. This study aims to determine the chloride threshold value and service life of hybrid corrosion inhibitors in reinforced concrete based on zwitterions. The samples are subjected to accelerated corrosion tests in a chloride environment to determine the threshold value and service life of the corrosion inhibitor. The effect of hybrid inhibitor on mechanical properties is guaranteed in allowable range. The chloride threshold concentration and service life of hybrid inhibitor containing samples perform greater than those of plain RC.

• Bulletin of the Korean Chemical Society
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• v.29 no.7
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• pp.1335-1343
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• 2008

Theoretical studies on the un-catalyzed and catalyzed aminations of ketene with $NH_3$ and $(NH_3)_2$, respectively, were studied using MP2 and hybrid density functional theory of B3LYP at the 6-31+G(d,p) and 6- 311+G(3df,2p) basis sets in the gas phase and in benzene and acetonitrile solvents. In the gas phase reaction, the un-catalyzed mechanism was the same as those previously reported by others. The catalyzed mechanism, however, was more complicated than expected requiring three transition states for the complete description of the C=O addition pathways. In the un-catalyzed amination, rate determining step was the breakdown of enol amide but in the catalyzed reaction, it was changed to the formation of enol amide, which was contradictory to the previous findings. Starting from the gas-phase structures, all structures were re-optimized using the CPCM method in solvent medium. In a high dielectric medium, acetonitrile, a zwitterions formed from the reaction of $CH_2$=C=O with $(NH_3)_2$, I(d), exists as a genuine minimum but other zwitterions, I(m) in acetonitrile and I(d) in benzene become unstable when ZPE corrected energies are used. Structural and energetic changes induced by solvation were considered in detail. Lowering of the activation energy by introducing additional $NH_3$ molecule amounted to ca. −20 $\sim$ −25 kcal/mol, which made catalyzed reaction more facile than un-catalyzed one.

• Proceedings of the Korean Institute of Building Construction Conference
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• 2022.04a
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• pp.43-44
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• 2022

In this study, the optimum amount of chloride ions is used to collaborate with hybrid corrosion inhibitor for carbon steel rebar treatment in simulated pore concrete (SCP) solution is discovered. The corrosion inhibition performance of hybrid inhibitors is carried on by open circuit potential (OCP), electrochemical impedance spectroscopy (EIS), and potentiodynamic polarization (PP). The highest corrosion inhibition resistance is found in case of LP-C2 after 240 h exposure. Surface studies including scanning electron microscopy (SEM), and atomic force microscopy (AFM) were used to figure out the surface morphology of the steel rebar treated with hybrid inhibitors in order to collaborate well with electrochemical studies. Anodic type inhibition action was confirmed by potentiodynamic polarization study.

• Bulletin of the Korean Chemical Society
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• v.16 no.5
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• pp.410-416
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• 1995

The proton transfer energies of gas phase glycine and alanine and those of hydrated glycine and alanine were calculated both with Hartree-Fock and $M{\Phi}ller-Plesset$ ab initio molecular orbital (MO) calculations with 6-31G** basis set. The transition states of the proton transfer of gas phase glycine was also investigated. For zwitterions, both for glycine and alanine, the water bound to -NH3+ site stabilize the complex more compared with the water bound to -CO2-. The proton transfer energy, ΔEpt, of glycine, alanine, mono-hydrated glycine, mono-hydrated alanine, di-hydrated glycine and di-hydrated alanine were obtained as 30.78 (MP2: 22.57), 31.43, 23.99 (MP2: 17.00), 24.98, 22.87, and 25.63 kcal/mol, respectively. The activation energy for proton transfer from neutral (Nt) glycine to zwitterion (Zw) glycine, Ea, was obtained as 16.13 kcal/mol and that for reverse process, Ear, was obtained as 0.85 kcal/mol. Since the transition state of the proton transfer of gas phase glycine locate near the glycine zwitterion on the potential energy surface and the shape of the potential well of the zwitterion is shallow, the zwitterion easily changed to neutral glycine through the proton transfer.

• Proceedings of the Korean Institute of Building Construction Conference
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• 2022.11a
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• pp.37-38
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• 2022

During the past decades, the corrosion of the steel rebar embedded in concrete structure surrounding marine environment is actually problematic and required the suitable preventive method. An eco-friendly corrosion inhibitor mix is investigated to stifle the active corrosion in comparison with other commercial corrosion inhibitors. The hybrid inhibitor enhances the corrosion resistance and the workability of concrete. However, it reduces the compressive strength slightly after 28-day-age. The electrochemical studies and mechanical studies are pointed out the corrosion resistance property, corrosion kinetics, and the mechanical properties of all concrete samples. H-3 is the optimum dose of hybrid inhbitor that meets the demand of both electrochemical property and mechanical property. It performs the noble features due to the formation of optimum amount of P-Zwitterions-(Cl)-Fe complex onto the steel rebar surface.

• Bulletin of the Korean Chemical Society
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• v.29 no.9
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• pp.1705-1710
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• 2008

Imidazolium based zwitterions, 1,2-dimethylimidazolium-3-n-propanesulfonate (DMIm-3S) and 1-Butylimidazolium-3-n-butanesulphonate (BIm-4S), were synthesized, and utilized them as additive for Li ion cell comprising of graphite anode and $LiCoO_2$ cathode. The use of 10 wt% of DMIm-3S in 1 M $LiPF_6$, EC-EMCDMC (1:1:1 (v/v)) resulted in the increased high rate charge-discharge performance. The low temperature performance of the Li ion cells at about −20 ${^{\circ}C}$ was also enhanced by these zwitterion additives. The DMIm- 3S additive resulted in the better capacity retention by the Li-ion cells even after 120 cycles with 100% depth of discharge (DOD) at 1 C rate in room temperature. Surface morphology of both graphite and $LiCoO_2$ electrode before and after 300 cycles was studied by scanning electron microscopy. An analogous study was performed using liquid electrolyte without any additive.

• Korean Chemical Engineering Research
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• v.48 no.4
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• pp.519-533
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• 2010

Activity oefficients and solubilities of L-Alanine in aqueous solutions containing each of four electrolytes(NaCl, KCl, $NaNO_3$ and $KNO_3$) were measured at 298.15 K. The measurements of activity coefficients were carried out in the electrochemical cell coupled with two ion-selective electrodes(cation and anion), and the solubilities were measured by the gravimetric analysis of saturated solutions in equilibrium with the solid phase of L-alanine. To model the activity coefficients and solubilities of amino acid in the amino acid/electrolyte aqueous solutions, thermodynamic relations of the residual Helmholtz free energy in the amino acid/electrolyte aqueous solutions were developed based on the perturbed-chain statistical associating fluid theory(PC-SAFT) combined with the primitive mean spherical approximation(primitive-MSA). In the present model, it is assumed that the zwitterions of L-alanine are associated with each other and cross-associated with water molecules, and also cross-associated with the cation and anion dissociated from an electrolyte(inorganic salt). The activity coefficients and solubilities of L-Alanine calculated from the theoretical model proposed in this work are found to be well agreeable with experimental data.