• Bulletin of the Korean Chemical Society
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• v.33 no.9
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• pp.2855-2860
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• 2012

The coating N-acetyl cysteine (NAC) on gold surfaces may be used to design the distribution of either gold particle adsorbed to the $ZrO_2$ surface or vice versa by adjusting the electrostatic interactions. In this study, it was performed to find out electrostatic properties of the NAC-coated-gold surface and the $ZrO_2$ surface. The surface forces between the surfaces were measured as a function of the salt concentration and pH value using the AFM. By applying the Derjaguin-Landau-Verwey-Overbeek (DLVO) theory to the surface forces, the surface potential and charge density of the surfaces were quantitatively acquired for each salt concentration and each pH value. The dependence of the potential and charge density on the concentration was explained with the law of mass action, and the pH dependence was with the ionizable groups on the surface.

• Transactions of the Korean Society of Mechanical Engineers B
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• v.27 no.11
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• pp.1542-1547
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• 2003

Although dielectric barrier discharge (DBD) in air has been applied to a wider range of aftertreatment processes for HAPs (Hazardous Air Pollutants), due to its high electron density and energy, its potential use as precharging dust particles is not well known. In this work, we measured size distributions of bimodal aerosol particles and estimated collection efficiency of the particles by an electrostatic precipitator (ESP) using DBD as particle charger. To examine the particle collection with DBD charger, nano size particles of NaCl(20∼100nm) and DOS (50∼500nm) were generated by a tube furnace and an atomizer, respectively. For experimental conditions of 60㎐, 11㎸ and 60 lpm, the particle collection efficiency for the hybrid system was over 85%, based on the number of particles captured.

• Proceedings of the KSME Conference
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• 2003.04a
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• pp.1435-1440
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• 2003

Although Dielectric Barrier Discharge (DBD) in air has been applied to a wider range of aftertreatment processes for HAPs(Hazardous Air Pollutants), due to its high electron density and energy, its potential use as precharging dust particles is not well known. In this work, we measured size distributions of bimodal aerosol particles and estimated collection efficiency of the particles by electrostatic precipitator(ESP) using DBD as particle charger. To examine the particle collection with DBD charger, nano size particles of NaCl($20{\sim}100$ nm) and DOS($50{\sim}800$ nm) were generated by tube furnace and atomizer, respectively. For experimental conditions of 60 Hz, 11 kV, and 60 lpm, the particle collection efficiency for the hybrid system comprising DBD charger and ESP was over 85 %, based on the number of particles captured.

• YAKHAK HOEJI
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• v.33 no.2
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• pp.87-100
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• 1989

Salicylic acids as anti-inflammatory agents were analyzed by ab initio, quantum chemical methods to study the possible modes of binding to the receptor. As the result of multiple regression analysis of reactivity indices and interpretation of normalized frontier orbital charges of drugs, potency seems to be related to energy of HOMO and LUMO at the 5 position of benzene ring, and in the 5-phenyl substituted case, the para position of substituting ring is important. The binding occurs first at the positive site of its receptor. The charge density exhibited by the frontier orbitals suggests that charge moves from receptor site to carboxyl group. The electrostatic orientation effect makes an important contribution to the binding of the active molecules to their receptors. Also the electrostatic potential model may be able to rationalize the source of activity or inactivity of the drugs under investigation.

• The Bulletin of The Korean Astronomical Society
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• v.37 no.1
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• pp.93.1-93.1
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• 2012

In this study, we investigated the generation of consecutive electrostatic solitary waves (ESWs) using by one-dimensional electrostatic particle-in-cell (PIC) simulation. For a given Gaussian perturbation, it is found that electron two-stream instability occurs in local grids region. Thus because of this instability, the electrostatic potential grows rapidly so as to be separated into electron and ion in perturbation region, and then electrons are trapped with heating during growing instability. It is found that these heated and trapped electrons are caused the generation of ESW, and ions are reflected backward and forward at the boundary of the initial perturbation, then form cold ion beam whereas electrons are confined to inside of the potential. Furthermore backward reflected ion beam forms ion holes by ion two-stream instability. On the other hand, as the confined electrons are released, and then released electrons also form hot electron beam, which play an important role in the generation of consecutive ESWs such as broadband electrostatic noise (BEN) observed frequently in space environment. Therefore the reason of the generation of consecutive ESWs is the existence of heated electrons which can sufficiently support energy to produce ESWs.

• Journal of Industrial Technology
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• v.26 no.B
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• pp.163-171
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• 2006

Human immunodeficiency virus type 1 (HIV-1) integrase plays a critical role in the life cycle of the HIV virus. An ability to accurately map its electrostatic potential, and then use this information to predict the manner in which DNA will bind to the active site of the catalytic domain could provide a foundation for inhibitory design. Attempts to discern the crystal structure of HIV-1 integrase have proven problematic, especially in the region of enzymatic activity, that being those residues involved in the catalysis of the integration of viral DNA into the host cell. However, there is a structural correlation in to the region of interest with avian sarcoma virus (ASV), so a homology model utilizing this similarity was constructed to approximate the behavior/structure of the undetermined portions of the HIV-1 integrase crystal. After this model was constructed and its energy minimized, electrostatic calculations were carried out on the substance, so that an electrostatic potential map was constructed. Using this information, it was determined that DNA binding was oriented so as to exploit the regions of positive potential nearby the active site, as well as the positive potential of the magnesium cofactors.

• Proceedings of the KSME Conference
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• 2008.11b
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• pp.2116-2121
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• 2008

Removal of particles at rich $CO_2$ condition has been important in the gas cleaning for $CO_2$ capture in Oxy-fuel combustion. Electrostatic precipitators (ESPs) have been widely used to remove particles in exhaust gases from present air combustion. However, few studies on characteristics of ESPs under a $CO_2$ rich gas condition have been conducted. In this study, we investigated integration of electrostatic precipitators (ESP) for removing submicron particles along with corona discharge characteristics and collection efficiency of submicron particles at $CO_2$ rich condition. The overall performance of ESP is represented by collection efficiency as function of energy consumption. The experiment results showed that higher the concentration of $CO_2$ gas, the corona discharge currents were lower at the same applied voltages and the spark over occurred at lower voltages, and the collection efficiency of submicron particles under 50, 80% $CO_2$ conditions was much lower than that under 100% Air.

• Journal of the Korean Chemical Society
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• v.39 no.5
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• pp.329-337
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• 1995

Energetic oxetane derivatives which undergo cationic polymerizations have been investigated theoretically by using ab initio HF/3-21G calculations. We have examined structures, charges, and molecular electrostatic potentials. The ring structure of oxetane has changed significantly due to (1) the introduction of large substituents in the ring or (2) the addition of either proton or BF3. This structural change is attributed to electrostatic interactions and/or steric repulsions. The nucleophilicity and basicity of oxetane derivatives can be explained by the negative charge and the minimum electrostatic potential value of O atom. The reactivity in the polymerization can be rationalized by (1) the basicity of O atom and (2) the difference between HOMO energy of oxetanes and LUMO energy of activated oxetane polymeric chains. Our calculations predict that 3-azidomethyl-3-methyl oxetane (AMMO) is more basic than 3-nitratomethyl-3-methyl oxetane (NMMO), and AMMO is more reactive toward both AMMO and NMMO polymeric chains. Our results are in good agreement with previous experimental data.

• Polymer Science and Technology
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• v.16 no.2
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• pp.189-194
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• 2005

• Journal of the Korean Electrochemical Society
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• v.17 no.3
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• pp.139-148
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• 2014

Electrochemical energy-storage devices such as batteries and supercapacitors are important components in emerging portable electronic device, electric vehicle, and clean energy storage and supply technologies. This review describes recent progress in the development of nanostructured electrodes, the main component of the electrochemical energy-storage device, prepared by layer-by-layer (LbL) electrostatic assembly. Major advantages associated with, and challenges to, the fabrication of LbL electrodes, as well as the future outlook for expanding the application of LbL techniques, are discussed.