• 대한화학회지
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• 제46권1호
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• pp.14-18
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• 2002

산화질소 분자(NO)가 전자 한 개를 받아 산화질소 음이온$(NO^-)$으로 환원되는 반응의 정도가 진동에너지에 따라 크게 달라질 수 있음을 제시하였다. NO와 $NO^-$의 포텐샬에너지 표면은 진동에너지가 많아짐에 따라 NO 분자가 전자를 받아 $NO^-$음이온으로 바뀔수 있는 에너지적 측면을 가짐을 보여준다. 또한, 진동 파동함수간의 Franck-Condon 인자를 계산하였다. 진동에너지가 많아지면 NO에서 $NO^-$로 바뀔 경로가 더 많이 증가함을 보인다. 이 결과는 NO 분자에게 적절한 빛을 조사시킴으로 $NO^-$이온으로의 환원반응속도를 조절할 수 있음을 의미한다.

• 한국염색가공학회지
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• 제25권1호
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• pp.25-29
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• 2013

Poly ketone (PK) was photo-oxidized by UV/ozone irradiation and the effect of UV energy on the surface properties of the UV-irradiated PK film was investigated by the measurement of reflectance, surface roughness, contact angles, ESCA, and ATR. Reflectance, particularly at the wavelength of 380nm, decreased with increasing UV energy. And the irradiation produced nano-scale roughness on the surface uniformly. The maximum surface roughness increased from 25.3nm for the unirradiated sample to 104.9nm at the irradiation of $42.4J/cm^2$. The improvement in hydrophilicity was caused by the introduction of polar groups such as C-O and C=O bonds resulting in higher $O_{1s}/C_{1s}$. The surface energy of PK film increased from $43.3mJ/m^2$ for the unirradiated sample to $71.9mJ/m^2$ at the irradiation of $31.8J/cm^2$. The zeta potential of the UV-irradiated PK decreased with increased UV energy and the dyeability to cationic dyes increased accordingly, resulting from the photochemically introduced anionic and dipolar dyeing sites on the PK films surfaces.

• Bulletin of the Korean Chemical Society
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• 제12권1호
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• pp.61-67
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• 1991

Conformational free energy calculations using an empirical potential function and the hydration shell model (a program CONBIO) were carried out on the neutral L-ascorbic acid (AA) in the unhydrated and hydrated states. The conformational energy was minimized from starting conformations which included possible conformations of six torsion angles in the molecule. The conformational entropy of each low energy conformation in both states was computed using a harmonic approximation. From the analysis of conformational free energies for AA in both states, intramolecular hydrogen bonds (HBs) are proved to be an essential factor in stabilizing the overall conformations, and cause the conformations in both states to be quite different from those in crystal. In the case of hydrated AA, there is a competition between HBs and hydration, and the hydration around the two hydroxyl groups attached to the acyclic side chain forces the molecule to form less stable HBs. The hydration affects strongly the conformational energy surfaces of AA. Several feasible conformations obtained in this work indicate that there exists an ensemble of several conformations in aqueous solution. The calculated probable conformations for the rotation about the C5-C6 bond of the acyclic side chain are trans and gauche +, which are in good agreement with results of NMR experiment.

• Bulletin of the Korean Chemical Society
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• 제33권2호
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• pp.589-596
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• 2012

In this paper, the reactive dynamics properties of the reactions Ba + $C_6H_5Br$ and Ba + m-$C_6H_4CH_3Br$ were studied by means of the quasi-classical trajectory method based on the London-Eyring-Polanyi-Sato potential energy surfaces. The vibrational distributions, reaction cross sections, rotational alignments of the products BaBr all were obtained. The peak values of the vibrational distributions are located at $\nu$ = 0 for the reactions Ba + $C_6H_5Br$ and Ba + m-$C_6H_4CH_3Br$ when the collision energies are 1.09 and 1.10 eV, respectively. The reaction cross sections increase with the increasing collision energy, which changes from 0.6 to 1.5 eV. The product rotational alignments deviate from -0.5 and firstly increase and then decrease while the collision energy is increasing, just like that of Heavy+Light-Light system.

• Wind and Structures
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• 제9권6호
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• pp.493-503
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• 2006

The demand for energy in the world increases everyday. Blade energy which is wind turbine is a significant resource which must be appreciated in this field. Especially, in places where wind potential is high, the usage of wind energy is a beneficial factor for every country's economy. In this study, first, 6 different miniature rotor were produced by using 6 different NACA profiles. Rotors were produced with three blades. The electrical performance and the speed of start of action values that are provided from each rotor form were established by measuring them in the wind tunnel. The calculation of area and volumetric values of each profile and wind surfaces were made with AutoCad technical drawing program. As a result, it was searched whether there is any relation between electrical performance values and speed of start of motion that rotors produced and volumetric values of rotors. The aim of this study is to find out whether rotor blade volume is one of factors that influences rotor performance. The general tendency observed here is that the increase in the volume of rotor blade leads to an increase in the speed of start of motion and to a decrease in the rotor performance.

• 한국표면공학회:학술대회논문집
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• 한국표면공학회 2017년도 춘계학술대회 논문집
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• pp.126-126
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• 2017

Using first principles calculations we unveil fundamental mechanism of hydrolysis reactions of two hazardous chemicals $PCl_3$ and $POCl_3$ with molecular water clusters nearby. It is found that the water molecules play a key role as a catalyst significantly lowing the activation barriers by transferring its protons to the reaction intermediates. Interestingly, torsional angles of molecular complexes at transition states are identified as a vital descriptor on the reaction rate. Analysis of charge distribution over the complexes further reinforces the finding with atomic level correlation between the torsional angle and variation of the orbital hybridization state of P in the complex. Electronic charge separation (or polarization) enhances thermodynamic stability of the activated complex at transition state and reduces the activation energy through hydrogen bonding network with water molecules nearby. Calculated potential energy surfaces (PES) for the hydrolysis reactions of $PCl_3$ and $POCl_3$ depict their two contrastingly different profiles of double- and triple-deep wells, respectively. It is ascribed to the unique double-bonding O=P in the $POCl_3$. Our results on the activation free energy show well agreements with previous experimental data within $7kcalmol^{-1}$ deviation.

• 한국표면공학회지
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• 제56권2호
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• pp.115-124
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• 2023

Anodization is an electrochemical process that electrochemically converts a metal surface into an oxide layer, resulting in enhanced corrosion resistance, wear resistance, and improved aesthetic appearance. Local anodization, also known as selective anodization, is a modified process that enables specific regions or patterns on the metal surface to undergo anodization instead of the entire surface. Several methods have been attempted to produce oxide layers via localized anodic oxidation, such as using a mask or pre-patterned substrate. However, these methods are often intricate, time-consuming, and costly. Conversely, the direct writing or patterning approach is a more straightforward and efficient way to fabricate the oxide layers. This review paper intends to enhance our comprehension of local anodization and its potential applications in various fields, including the development of nanotechnologies. The application of anodization is promising in surface engineering, where the anodic oxide layer serves as a protective coating for metals or modifies the surface properties of materials. Furthermore, anodic oxidation can create micro- and nano-scale patterns on metal surfaces. Overall, the development of efficient and cost-effective anodic oxidation methods is essential for the advancement of various industries and technologies.

• Elastomers and Composites
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• 제39권1호
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• pp.3-11
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• 2004

플라즈마 표면처리는 표면 관능기 표면 활성도 등을 증가시켜 촉매적 선택성, 염색성 및 다양한 소재의 접착력을 증가시켜주는데 큰 역할을 담당한다. 본 연구에서는 dielectric barrier discharge (DBD)를 이용한 상압 플라즈마 토치로 ethylene-vinyl acetate (EVA)의 표면을 처리하였다. 이때 사용된 가스는 아르곤, 공기, 및 산소를 이용하였으며, 표면처리에 따른 EVA의 표면 특성을 제타전위와 표면자유에너지를 이용하여 관찰하였다. 그 결과, 상압 플라즈마 표면처리에 따른 EVA의 표면 관능기는 접착 에너지 ($G_{IC}$)와 비례관계를 가지며 증가하는 것을 확인하였다. 특히, 상압 플라즈마 표면처리 공정은 EVA와 polyurethane (PU) 계면의 접착력을 크게 증가시켜 주는 것을 확인하였다.

• 대한화학회지
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• 제7권1호
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• pp.17-24
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• 1963

本硏究에서는 韓國産 灰重石($CaWO_4$)에 關하여 固相一液相界面에 있어서의 電氣化學的 性質을 電氣泳動法으로 調査하고 한便 浮遊性에 關하여서는 捕收劑로 Dodecyl ammonium chloride(D.A.C.라 略稱)와 Sodium dodecyl sulfate(S.D.S.라 略稱)를 使用하여 Hallimond tube 試驗, 接觸角測定 及 吸着量測定等의 捕收劑 이온이 鑛物表面에 吸着하는데 있어서 電氣的인 相互作用이 重要한 役割을 하고 있다는 것을 實證하였다. 卽 電氣泳動法으로 鑛粒의 水溶液中에 있어서의 mobility를 測定한 結果 灰重石의 境遇에는 $Ca^{++}$ 或은 $WO_4^{--}$이 界面 電氣特性을 決定하는 potental determining ion이라는 것이 確認되었고 水溶液中에 있는 $Ca^{++}$의 增加는 鑛粒界面의 陰電荷를 減少하며 $WO_4^{--}$의 增加는 그 陰電荷를 增加한다는 것을 알수 있다. 이와같은 表面에 "陰이온系"의 S.D.S. 或은 "陽이온系"의 D.A.C.를 作用시키면 當然히 S.D.S.는 $Ca^{++}$의 增加에 따라 吸着量이 增加되어 浮遊性이 增大되고 한便 D.A.C. 때는 反對로 $WO_4^{--}$이 增加하는데 따라 吸着量이 增加되며 따라서 浮遊性도 增大된다고 불수 있고 實地로 捕收劑吸着量의 測定 및 Hallimond tube 實驗은 이것을 立證하고 있다. 이러한 基礎的인 究明은 灰重石浮選理論의 根幹이 되는 것이고 從來의 浮選法 改良에 對한 指針이 될수 있다고 生覺한다.

• 한국작물학회지
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• 제43권2호
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• pp.113-119
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• 1998

Spatial patterns of soil temperature on sloping lands are related to the amount of solar irradiance at the surface. Since soil temperature is a critical determinant of many biological processes occurring in the soil, an accurate prediction of soil temperature distribution could be beneficial to agricultural and environmental management. However, at least two problems are identified in soil temperature prediction over natural sloped surfaces. One is the complexity of converting solar irradiances to corresponding soil temperatures, and the other, if the first problem could be solved, is the difficulty in handling large volumes of geo-spatial data. Recent developments in geographic information systems (GIS) provide the opportunity and tools to spatially organize and effectively manage data for modeling. In this paper, a simple model for conversion of solar irradiance to soil temperature is developed within a GIS environment. The irradiance-temperature conversion model is based on a geophysical variable consisting of daily short- and long-wave radiation components calculated for any slope. The short-wave component is scaled to accommodate a simplified surface energy balance expression. Linear regression equations are derived for 10 and 50 cm soil temperatures by using this variable as a single determinant and based on a long term observation data set from a horizontal location. Extendability of these equations to sloped surfaces is tested by comparing the calculated data with the monthly mean soil temperature data observed in Iowa and at 12 locations near the Tennessee - Kentucky border with various slope and aspect factors. Calculated soil temperature variations agreed well with the observed data. Finally, this method is applied to a simulation study of daily mean soil temperatures over sloped corn fields on a 30 m by 30 m resolution. The outputs reveal potential effects of topography including shading by neighboring terrain as well as the slope and aspect of the land itself on the soil temperature.