• Bulletin of the Korean Chemical Society
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• 제18권9호
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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.

• 한국환경과학회지
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• 제20권4호
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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).

• 전자공학회논문지SC
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• 제38권4호
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• pp.20-30
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• 2001

트랜스리니어 셀을 이용한 새로운 200 MHz CMOS 트랜스컨덕터를 제안하였다. 제안한 트랜스컨덕터는 트랜스리니어 셀에 기초를 둔 전압 폴로워 및 전류 폴로워와 하나의 저항기로 구성된다. 트랜스컨덕터의 폭 넓은 응용을 위해, 단일-입력 단일-출력, 단일-입력 차동-출력, 그리고 완전-차동 트랜스컨덕터를 각각 체계적으로 설계하였다. 컴퓨터 시뮬레이션의 결과, 완전-차동 트랜스컨덕터는 ${\pm}3$ V의 공급 전압에서 ${\pm}2.7$ V의 입력 선형 범위, 200 MHz의 3-dB 주파수, 그리고 41 $ppm/^{\circ}C$ 이하의 온도 계수를· 가진다는 것을 확인하였다. 완선-차동 트랜스컨덕터의 응용성을 확인하기 위해, 인덕턴스 시뮬레이션 방식에 기초한 3차 사다리형 일립틱 저역-통과 여파기를 설계하였다. 설계된 저역-통과 여파기는 22 MHz의 리플 대역폭파 0.36 dB의 통과 대역 리플, 그리고 26 MHz의 차단 주파수를 가진다.

• 한국전기전자재료학회논문지
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• 제15권3호
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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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• 제11권2호
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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.

• 한국환경보건학회지
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• 제22권3호
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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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• 제27권1호
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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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• 제19권8호
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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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• 제21권2호
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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.

• 무역학회지
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• 제47권6호
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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.