• 제어로봇시스템학회논문지
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• 제20권9호
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• pp.914-921
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• 2014

In this paper, an algorithm is suggested to detect an offset angle of the absolute rotor position sensor after the initial assembly of a PMSG. Unlike previous studies in a stationary state, this one is not designed to detect an electrical angle but rather the absolute position of the rotor is detected while operating the generator. Also,a position sensor, current sensors and voltage sensor were used to ensure reliability. This technique completes the detection of the sensor offset in two steps. In the first step, a zero-crossing of the EMF is measured using a voltage sensor to detect the electrical angle offset when the alternator is actuated by the engine. In the second step, a high frequency current is injected along the d-axis on-line during the control of the generation, eventually to obtain the inductance using a DFT (Discrete Fourier Transform), and then to ultimately extract the final electrical angle offset through the comparison of the inductance magnitude. The suggested algorithm was validated with PSIM simulation and, furthermore, was tested with actual experiments on a dynamometer.

• Bulletin of the Korean Chemical Society
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• 제31권10호
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• pp.2897-2902
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• 2010

Seven fully optimized geometries of 3,6-dihydrazino-1,2,4,5-tetrazine (DHT) dimers have been obtained with density functional theory (DFT) method at the B3LYP/$6-311++G^{**}$ level. The intermolecular interaction energy was calculated with zero point energy (ZPE) correction and basis set superposition error (BSSE) correction. The greatest corrected intermolecular interaction energy of the dimers is $-23.69\;kJ{\cdot}mol^{-1}$. Natural bond orbital (NBO) analysis is performed to reveal the origin of the interaction. Based on the vibrational analysis, the changes of thermodynamic properties from the monomers to dimer with the temperature ranging from 200.0 K to 800.0 K have been obtained using the statistical thermodynamic method. It was found that the hydrogen bonds dominantly contribute to the dimers, while the binding energies are not only determined by hydrogen bonding. The dimerization process can not occur spontaneously at given temperatures.

• 대한화학회지
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• 제61권6호
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• pp.311-319
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• 2017

By using Density Functional Theory (DFT), we have performed alkali metal and alkaline earth metal inside fullerene-like BeO cluster (FLBeOC) in terms of energetic, geometric, charge transfer, work function and electronic properties. It has been found that encapsulated processes of the alkali metal are exothermic and thermodynamically more favorable than alkaline earth metal encapsulation, so that interaction energy ($E_{int}$) of the alkali metal encapsulation FLBeOC is in the range of -0.02 to -1.15 eV at level of theory. It is found that, the electronic properties of the pristine fullerene-like BeO cluster are much more sensitive to the alkali metal encapsulation in comparison to alkaline earth metal encapsulation. The alkali and alkaline earth metal encapsulated fullerene-like BeO cluster systems exhibit good sensitivity, promising electronic properties which may be useful for a wide variety of next-generation nano-sensor device components. The encapsulation of alkali and alkali earth metal may increase the electron emission current from the FLBeOC surface by reducing of the work function.

• 대한화학회지
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• 제57권3호
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• pp.311-315
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• 2013

The geometry structures of hexa-coordinated [NiLX]X complexes ($X=Cl^-,\;Br^-,\;I^-$) {L = 8,9,18,19-tetrahydro-7H,17H-dibenzo[f,o] [1,5,9,13]dioxadiaza cyclohexadecine-8,18-diol} are optimized by density functional theory (DFT) using B3LYP/LANL2DZ. The calculated geometric parameters are in good agreement with the corresponding experimental values. Calculation results about these complexes show that dipole moment decreases, and the energy levels of HOMOs descend from iodo-complex to chloro-complex. The energy levels of HOMOs descend gently from iodo-complex to chloro-complex, while the energy levels of LUMOs in the present complexes are almost similar; therefore the energy gapes between HOMOs and LUMOs increased from iodo-complex to chloro-complex.

• 전기학회논문지P
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• 제64권2호
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• pp.67-73
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• 2015

Distance relay is widely used for the protection of long transmission line. Most of distance relay used to calculate line impedance by measuring voltage and current using DFT. So if there is a computation error due to the influence of phasor by DC offset component, due to excessive vibration by measuring line impedance, overreach or underreach can be occurs, and then abnormal and non-operation of distance relay can be issue. It is very important to implement the robust distance relaying that is not affected by DC offset component. This paper describes an enhanced distance relaying based on the DC offset elimination filter to minimize the effects of DC offset on a long transmission line. The proposed DC offset elimination filter has not need any prior information. The phase angle delay of the proposed DC offset filter did not occurred and the gain error was not found. The enhanced distance relay uses fault current as well as residual current. The behavior of the proposed distance relaying using off-line simulation has been verified using data about several fault conditions generated by the ATP simulation software.

• Corrosion Science and Technology
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• 제18권5호
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• pp.155-167
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• 2019

In this study, two novel Schiff base compounds including (3-(4-Chlorophenyl isoxazole-5-yl) methanol and (3-(2,4 dichlorophenol isoxazole-5-yl) methanol as corrosion inhibitors for mild steel in 1 M hydrochloric acid solution were investigated by potentiodynamic polarization, electrochemical impedance spectroscopy (EIS), and density functional theory (DFT) computations. The results showed that the corrosion inhibition efficiency (IE) is remarkably enhanced with the growing concentration of the Schiff base inhibitors. The results from Tafel polarization and EIS methods showed that IE decreases with gradual increments of temperature. This process can be attributed to the displacement of the adsorption/desorption balance and hence to the diminution of the level of a surface coating. Also, the adsorption of two inhibitors over mild steel followed the Langmuir adsorption isotherm. Too, the results of the scanning electron microscope (SEM) images showed that the Schiff base inhibitors form an excellent protective film over mild steel and verified the results by electrochemical techniques. Additionally, the results from the experimental and those from DFT computations are in excellent accordance.

• 한국음향학회지
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• 제37권6호
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• pp.457-467
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• 2018

본 논문은 정현파 신호에 대해 고해상도 주파수 추정이 가능한 알고리즘들의 성능을 비교 분석하였다. 비교 대상 알고리즘은 총 5가지로 DFT(Discrete Fourier Transform - 성능 평가 기준), Jacobsen, Candan, 재할당(Reassignment) 알고리즘 및 Cedron 알고리즘이다. 각 알고리즘의 성능을 SNR(Signal to Noise Ratio), 윈도우 함수, 윈도우 길이 등의 요소를 변화시켜가며 성능을 측정하였다. 알고리즘의 성능 평가는 편의 및 오차(Mean Square Error, MSE), 분산을 이용하여 측정하였으며, 실험결과 Cedron 알고리즘이 좋은 성능을 보였다. 실제 공학문제에서의 활용을 위해서는 각 알고리즘별로 보다 다양한 조건에서 실험 결과를 분석하고 개선시킬 필요가 있다.

• Natural Product Sciences
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• 제27권2호
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• pp.78-85
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• 2021

Through bio-guided isolation, two natural iron chelators were isolated from Mangifera indica L. leaves, identified as mangiferin (1) and iriflophenone-3-C-𝛽-D-glucoside (2). Their iron-chelating activity was compared to that of Desferal^® using bipyridyl assay and EDTA as a standard. Mangiferin showed the highest activity with IC₅₀ value of 0.385 mM (162.85 ㎍/mL). Furthermore, two combinations of mangiferin with Desferal^® (M-D) and iriflophenone-3-C-𝛽-D-glucoside (M-I) were evaluated. The results showed that mangiferin potentiated the iron chelation activity of Desferal^® about 46%, also that M-I combination is a promising candidate formula for iron chelation therapy. In addition, mangiferin and Desferal-iron complexes were prepared and characterized by IR, UV, and Mass spectra to compare their mode of chelation to iron. Their structural stability was studied by DFT calculations. Furthermore, they displayed increased ABTS antioxidant activity when bound to iron as compared to their free form, which enhances their pharmacological importance.

• Corrosion Science and Technology
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• 제23권1호
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• pp.20-32
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• 2024

Metal corrosion in acidic environments is a major issue in various industrial applications. This study evaluates the 4-piperonylideneaminoantipyrine (PPDAA) corrosion inhibition efficiency for mild steel in a hydrochloric acid (HCl) solution. The weight loss method was used to determine the corrosion inhibition efficiency at different concentrations and immersion time periods. Results revealed that the highest inhibition efficiency (94.3%) was achieved at 5 mM concentration after 5 hours of immersion time. To inspect the surface morphology of the inhibitor film on the mild steel surface, scanning electron microscopy (SEM) was used before and after immersion in 1.0 M HCl. Density functional theory (DFT) calculations were performed to investigate the molecular structure and electronic properties of the inhibitor molecule to understand the corrosion inhibition mechanism. Theoretical results showed that the inhibitor molecule can adsorb onto the mild steel surface through its nitrogen and oxygen atoms, forming a protective layer that prevents HCl corrosive attack. These findings highlight the potential of PPDAA as an effective corrosion inhibitor for mild steel in HCl solution. Moreover, combining experimental and theoretical approaches provides insights into the mechanism of corrosion inhibition, which is essential for developing effective strategies to prevent metal corrosion in acidic environments.

• 한국음향학회지
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• 제43권4호
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• pp.406-413
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• 2024

본 논문은 임펄스성 잡음에 견실한 시간 지연을 추정 방법을 제안한다. 제안하는 방법은 Generalized Cross Correlation - Phase Transform(GCC-PHAT) 방법에 비선형 전처리와 주파수 영역 저역 통과 필터를 사용한다. 본 논문에서는 GCC-PHAT의 연산 과정을 DFT로 다시 해석함으로써 GCC-PHAT에서 시간 지연 추정에 실제 사용되는 유효한 주파수 대역이 있음을 파악하고, 저역 통과 필터 사용하여 유효 대역만을 사용하면 잡음 성분을 줄여서 시간 추정 성능을 향상시킬 수 있음을 보인다. 제안한 방법을 임펄스성 잡음 환경에서 전통적인 GCC-PHAT와 비교함으로써 추정 견실성이 향상됨을 보인다.