• Bulletin of the Korean Chemical Society
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• v.18 no.9
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• pp.981-985
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• 1997

13C, 15N, and 29Si NMR chemical shifts have been computed for selected X-substituted silatranes (X=Cl, F, H, CH3) using Gauge-Including Atomic Orbitals (GIAO) at the Hartree-Fock level of theory. The isotropic 13C chemical shifts are largely insensitive to substituent-induced structural changes. In this study, the isotropic 13C chemical shifts between 1-methyl- and 1-hydrogensilatranes by GIAO-SCF calculation at the HF/6-31G level are very similar. But the results of 1-chloro- and 1-fluorosilatranes are about 4 ppm different from the experimental values. In contrast, the isotropic 15N and 29Si chemical shifts and the chemical shielding tensors are quite sensitive to substituent-induced structural changes. These trends are consistent with those of the experiment. The isotropic 15N chemical shift demonstrates a very clear correlation with Si-N distance. But in case of 29Si the correlations are not as clean as for the 15N chemical shift; the calculated variation in the 29Si chemical shift is much larger.

• Journal of Environmental Science International
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• v.20 no.4
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• pp.501-509
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• 2011

Unlike many laboratory-scale studies on absorption of organic compounds (VOCs), limited pilot-scale studies have been reported. Accordingly, the present study was carried out to examine operation parameters for the effective control of a hydrophilic VOC (methyl ethyl ketone, MEK) by applying a circular pilot-scale packed-absorption system (inside diameter 37 cm ${\times}$ height 167 cm). The absorption efficiencies of MEK were investigated for three major operation parameters: input concentration, water flow rate, and ratio of gas flow-rate to washing water amount (water-to-gas ratio). The experimental set-up comprised of the flow control system, generation system, recirculation system, packed-absorption system, and outlet system. For three MEK input concentrations (300, 350, and 750 ppm), absorption efficiencies approached near 95% and then, decreased gradually as the operation time increased, thereby suggesting a non-steady state condition. Under these conditions, higher absorption efficiencies were shown for lower input concentration conditions, which were consistent with those of laboratory-scale studies. However, a steady state condition occurred for two input concentration conditions (100 and 200 ppm), and the difference in absorption efficiencies between these two conditions were insignificant. As supported by an established gas-liquid absorption theory, a higher water flow rate exhibited a greater absorption efficiency. Moreover, as same with the laboratory-scale studies, the absorption efficiencies increased as water-to-gas ratios increased. Meanwhile, regardless of water flow rates or water-to-gas ratios, as the operation time of the absorption became longer, the pH of water increased, but the elevation extent was not substantial (maximum pH difference, 1.1).

• Journal of the Institute of Electronics Engineers of Korea SC
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• v.38 no.4
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• pp.20-30
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• 2001

A novel 200 MHz CMOS transconductor using translinear cells is proposed. The proposed transconductor consists of voltage followers and current followers based on translinear cells and a resistor. For wide applications, a single-input single-output, a single-Input differential-output, and a fully-differential transconductor are systematically designed, respectively. The theory of operation is described and computer simulation results are used to verify theoretical predictions. The results show that the fully-differential transconductor has a linear input voltage range of ${\pm}2.7$ V, a 3 dB frequency of 200 MHz, and a temperature coefficient of less than 41 $ppm/^{\circ}C$ at supply voltages of ${\pm}3$ V. In order to certify the applicability of the fully-differential transconductor, A ladder-type 3th-order cllitic low pass filter is also designed based on the inductance simulation method. The filter has a ripple bandwidth of 22 MHz, a pass-band ripple of 0.36 dB, and a cutoff frequency of 26 MHz.

• Journal of the Korean Institute of Electrical and Electronic Material Engineers
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• v.15 no.3
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• pp.238-243
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• 2002

The dielectric properties and synthesis of $LaAIO_3$ ceramics from mixtures of $La_2O_3$ and $AI(OH)_3$ via ground(planetary ball mill) and unground(wet ball mill) were investigated. The single phase $LaAIO_3$ of ground powder was formed at $1000^{\circ}C$, while that of unground powder was formed at $1300^{\circ}C$. Density and grains of ground sample showed 98% of theory density and a uniform size of 0.75\mu\textrm{m}$, respectively, However those of unground sample showed 93% and non-uniform sizes of 4-5 $\mu\textrm{m}$. Dielectric constant and temperature coefficient of capacitance ($\tau$c) of both ground and unground samples were 21~22 and +70~74 ppm$/^{\circ}C$, respectively. Dielectric loss of ground sample(0.0004) was 10 times as low as that of unground sample(0.003) due to a uniform and small gram size.

• Journal of Electrochemical Science and Technology
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• v.11 no.2
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• pp.117-131
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• 2020

The adsorption of N-[(E)-Pyridin-2-ylmethylidene] aniline, a Schiff base, on to mild steel surface in 1M HCl and 0.5 M H₂SO₄ solutions and the consequent corrosion protection were studied employing weight loss method, electrochemical impedance spectroscopy and potentiodynamic polarization measurements. DFT calculations were performed to investigate its interaction with the metal surface at the atomic level to understand its inhibition mechanism. The adsorption process is well described by the Langmuir isotherm. The thermodynamic parameters indicated that the adsorption is spontaneous and the interaction of the inhibitor at the mild steel surface is mainly through physisorption. The R_a values obtained in AFM studies for the uninhibited and inhibited sample in HCl media respectively are 0.756 and 0.559 ㎛, and that in H₂SO₄ media are 0.411 and 0.406 ㎛. The lesser roughness values of the inhibited sample shows the adsorption of the molecules onto the mild surface. The inhibition efficiencies were found to improve with concentration of the inhibitor and the maximum efficiency was observed at 400ppm in all the investigation methods adopted. The inhibitor was found to exhibit a higher efficiency in HCl media (95.7%) than in H₂SO₄ (92.8%). The theoretical and experimental results are found to be in good agreement.

• Journal of Environmental Health Sciences
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• v.22 no.3
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• pp.56-63
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• 1996

The results of the water purification studies using water parsley (Oenanthe javanica) were obtained as follows. The removal rate of nutrient salts increased with longer plant growth periods. The results of this study use the assumption, log(T+1) = $K(C_0-C)^A$, based on Prakish's Theory. The initial concentration was calculated from experimental data. A and K are closely related to the initial concentration. It is possible to model the concentration of residual salts, as time goes by, if concentration is constant. It was observed that water parsley neutralizes acid and alkali substances promptly. The maximum suitable neutralization period is 48 hours. But water parsley withered up in strong acid and alkali solutions within a week. The removal efficiency of Cd progresses in 2 steps, which are unrelated to the initial concentration of Cd. The first part of the curve shows the concentration rapid rate of Cd removal, followed by a levelling off. The removal rate of $NO_x-N$ in the sample water tank containing 0.5 ppm Cd was between 50~80% but the removal rate was less than 20% for the higher concentration. On the other hand, increased amounts of $PO_4-P$ in the sample water tank from the third day on suspected that $PO_4-P$ was desorbed from the water parsley. The accumulation efficiency of Cd in plant was increased in proportion to the initial concentration of Cd. The accumulation phenomenon was observed in the tanks more than 50~100 times.

• Bulletin of the Korean Chemical Society
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• v.27 no.1
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• pp.39-43
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• 2006

The relaxed torsional potential of a liquid crystalline polymer containing an ester functional group in a mesogenic unit (hereafter 12-4 oligomer) has been calculated with the ab initio self-consistent-field using 6-31G$^*$ basis set. GIAO^{13}C NMR chemical shifts also have been calculated at the B3LYP/6-31G$^*$ level of theory for each conformational structure obtained from torsional potential calculation. The results show that the phenyl ring-ester linkages are coplanar with the dihedral angle of about 0$^{\circ}$ and the ring-ring linkages in the biphenyl groups are tilted with the dihedral angle of around 43-44$^{\circ}$ in the lowest energy conformer. The biphenyl ring has a comparatively lower energy barrier of internal rotation potential in the ring-ring than that of phenyl ring-ester. The ^{13}C chemical shifts of carbonyl carbons were found to move to upfield due to $\pi$ -conjugation with phenyl ring and slightly affected about 0.5 ppm by dihedral angle of the ring-ring linkage.

• Bulletin of the Korean Chemical Society
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• v.19 no.8
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• pp.847-851
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• 1998

13C, 15N, and 29Si NMR chemical shifts have been computed for selected X-substituted silatranes (X=Cl, F, H, CH3) using Gauge-Including Atomic Orbitals (GIAO) and Continuous Set of Gauge Transformations (CSGT) at the Hartree-Fock level of theory. The isotropic 13C chemical shifts are largely insensitive to substituent-induced structural changes. In this study, the isotropic 13C chemical shifts GIAO and CSGT calculations at the HF/6-31G and HF/6-31G* levels are sufficiently accurate to aid in experimental peak assignments. The isotropic 13C chemical shifts X-substituted silatranes at HF/6-31G* level are approximately 4 ppm different from the experimental values. In contrast, the isotropic 15N and 29Si chemical shifts and the chemical shielding tensors are quite sensitive to substituent-induced structural changes. These trends are consistent with those of the experiment. The 15N chemical shift parameters demonstrate a very clear correlation with Si-N distance, especially when we use the polarization function. Changes in anisotropy, 3a as well as in the 15N isotropic chemical shifts are due primarily to changes in the value of a.. But in case of "Si the correlations are not as clean as for the 15N chemical shift.

• Corrosion Science and Technology
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• v.21 no.2
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• pp.77-88
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• 2022

Schiff base quinazoline derivative viz., 3-((2-hydroxy-3-methoxybenzylidene)amino)-2-methylquinazolin-4(3H)-one (SB-Q), was synthesized in this study. Its corrosion protection impact on mild steel (MS) in 1 M hydrochloric acid solution was examined by performing weight loss measurements. The protective efficacy of SB-Q on MS in 1 M HCl was investigated based on its concentrations, immersion period, and immersion temperature. SB-Q was found to be an efficient inhibitor for the corrosion of MS. Its inhibition efficiency was improved by increasing the concentration of SB-Q to an optimal concentration of 500 ppm. Its inhibition efficacy was 96.3% at 303K. Experimental findings revealed that its inhibition efficiency was increased with increasing immersion time, but decreased with an increase in temperature. The adsorption of SB-Q molecules was followed the Langmuir adsorption isotherm model. The adsorption of the examined inhibitor molecules on the surface of mild steel was studied by density functional theory (DFT). DFT investigation confirmed weight loss findings.

• Korea Trade Review
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• v.47 no.6
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• pp.71-96
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• 2022

This research will study the conversion intention of the users in China from fuel vehicle to new energy vehicles through the empirical methods. To this end, a questionnaire survey was conducted with car users as the object, combined with the theory of user migration and the PPM model to analyze the impact of fuel vehicle users' conversion intention to new-energy vehicles factor. The results showed that purchase experience contains the moderating effect, in which perceived risk and switching costs had a greater impact on the groups without purchase experience, whereas social identity, perceived value, personal attitude, and willingness to switch had a greater impact on groups with the purchase experience. Among all five factors, perceived risk had no discernible impact on the switching intention, but social identity, perceived value, attitude toward switching, and switching costs all had discernible impact on the switching intention. This study expects to come out with sustainable advises for the future growth of new energy vehicles from the study of car users' switching intention and the collective difference test of purchasing experience.